Discrete Element Methods

DISCRETE ELEMENT METHODS
Simulations of Discontinua: Theory and Applications
Antonio Munjiza
Conference Technical Team:

Guillermo Gonzalo Schiava DAlbano Tomas Lukas Esteban Rougier
2010 by Queen Mary, University of London
The editor and publisher of this book have used their best efforts in preparing this book. The editor and publisher make no expressed or implied warranty of any kind with regard to any material in this book. The editor and publisher should not be liable in any event for incidental or consequential damages in connection with using the material in this book.
ISBN: 978-0-9551179-8-5
CONTENTS
OPENING LECTURE From Nanoscience to Astrophysics-Towards Discrete Populations Based Virtual Experimentation PLENARY LECTURE Multi-core Strategies for particle methods KEYNOTE LECTURES DEM Validation a Simple Problem Coupled Discrete Element and Fluid Modelling with Non-Spherical Grains Modelling of Coupled Multi-Physics in Discrete Systems 1. ALGORITHMS AND SOLVERS MRCK_3D Contact Detection Algorithm Polyhedra on the Cheap An Event Driven Element Modelling Approach Development of a Rotational Resistance Model in the Discrete Element Method Description of Rotation in the Movable Cellular Automaton Method A Bounding Box Search Algorithm for DEM Simulation A Spring System Equivalent to Continuum Model Resolving the Indeterminacy of Vertex-Vertex Contact in the 2D Discontinuous Deformation Analysis LIGGGHTS a New Open Source Discrete Element Simulation Software 37 46 51 57 63 69 75 86 92 19 25 31 11 2
2. COUPLED SOLUTIONS Discrete Thermal Element Modelling of Heat Conduction in Spherical Particle Systems Implementation of Combined Single and Smeared Crack Model in 3D Combined Finite-Discrete Element Analysis Modelling of Reacting Discrete Particles in Continuous Fluid Flow: an Energy Technology Perspective Implementation of Tangential Force in 3D Discrete Element and Combined Finite-Discrete Element Methods Development of Virtual Geoscience Simulation Tools, VGeST Using the Combined Finite Discrete Element Method, FEMDEM Coupled Gas-Particulate Discharge from Bucket Elevators 100 102 108 115 121 127
Large Scale Discrete Element Modelling of Fine Particles in a Fluidized Bed 133 A Preliminary Study on Modelling Liquid-Solid Interaction Using Smoothed Particle Hydrodynamics 139 A Coupled DEM/CFD Study of Suction Filling A Combined Contact Model in CDEM and its Application in Blasting Engineering Computational Investigation of the Dispersion of Cohesive Aggregates 3. VERIFICATION AND VALIDATION Simulating and Optimizing of a Ball Mill by Comparison between Numerical Discrete Element Method (DEM) and Experimental Method 166 Numerical and Experimental Investigation of Progressive Development of a Granular Pile of Binary Size Pellets Particle Shape Effects in Medical Syringe Needles Experiments and Simulations for Polymer Microparticle Injection 167 176 147 153 159
Experimental Validation of Polyhedral Discrete Element Model
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Modelling the Trajectory of 3D Sensor-Shapes in Discharging Hoppers Filled with Monosized and Binary Mixtures: an Experimental and DEM Comparison 188 Comparing Experimental Measurements of Mill Lifter Deflections with 2D and 3D DEM Predictions Numerical Analysis of Cold-Formed Sigma Steel Beams 194 199
4. PARALLELISATION, GPU, OPTIMISATION Parallelization of an Open-Source FEM/DEM Code Y2D Wet-Mixing of Powders, a Large-Scale GPU Implementation Grid Parallel Computing System for Calibration of DEM Material Models A GPU Accelerated Continuous-Based Discrete Element Method for Elastodynamics Analysis Large Scale GPGPU Implementation of the Discrete Element Method Applied to Modelling the Environment in the Positron Emission Particle Tracking Experiment Calibration of DEM Material Models Using Optimisation Method in a Grid Parallel System 5. FRACTURE AND FRAGMENTATION, CRACKS Development of Discrete Element Method for Simulation of Deformation and Fracture of Heterogeneous Elastoplastic Materials Fracture Behaviour of Highly Porous Ceramics Numerical Strategy for Discrete Fine Cracking Description with Continuous Model Implementation of 6-Node Element in DFEM for Quasi-Brittle Materials Rock Impact Modelling Using FEM/DEM 250 256 262 268 269 206 212 222 228
239 243
6. GRANULAR MATERIALS, POWDERS AND NANOPOWDERS The 3D Splash Behavior for the Impacting of One Particle on a Particulate Packing Fast and Stable Simulation of Granular Matter and Machines Evolution of Structure in Granular Materials DEM Simulation of Ball Indentation on Cohesive Powders Statistics of Internal Structure of a Granular Pile Generated by the Particle Expansion Method Enhanced Vibrational Granular Mixing Discrete Element Modelling of Cylindrical Cavity Expansion of Granular Materials Effect of Gradation on the Constant Volume Cyclic Behaviour of Granular Media Applying DEM to Understanding Jamming in Systems of Non-Spherical Grains Combining DEM and 3D Imaging of Real Granular Systems 276 282 288 294 300 312 318 324 330 336
Simulating Granular Material Behaviour to General Loading Paths with DEM 306
Discrete Element Modelling of Compaction Behaviour of Agglomerated and Aggregated Nanopowder 342 Agglomeration Dynamics of Magnetic Nanoparticles in Simple Shear Flow Modelling Non-Spherical Particle Breakage in DEM Simulations 348 354
7. SOILS, ICE, ROCK, LANDSLIDES, EARTHQUAKES Coupled DEM-LBM Simulation Of a Soil Fluidisation Problem 361
Fold Development in Compressed Multi-Layers Modelled with FEMDEM Discrete Modelling of Geomaterials Under Extreme Loading Modelling the Effect of Narrow Blade Geometry on Soil Failure and Draught Force Using Discrete Element Method The Application of the Hybrid Stress Blasting Model to Improving the Understanding of Wall Control Blasting Discrete Element Simulation of Rock Cutting with Evaluation of Tool Wear Modelling Punch-Through Tests with 2D FEM-DEM Combined Finite Discrete Element Simulations of a Floating Ice Sheet Failing Against an Inclined Structure One Dimensional Compression of Sand-Silt Mixtures Using 2D DEM Using Discrete Element Methods to Model Soil Machine Interaction The Development and Application of Stochastic Block Shape Model in Continuum-Based Discrete Element Method Adaptive Discrete/Finite Element Coupling for Rock Cutting Process Simulations Failure Mechanism about RSA under Equal Stress Boundary Conditions Using DEM for the Assessment of K0 in Soils Theoretical Investigation of Regularities of Model Fault Zone Mechanical Response to Low-Amplitude Dynamic Mechanical Actions The Use of Discrete Element Methods on the Dynamic Analysis of Multi-Drum Ancient Structures Simulating P-Wave Propagation in DEM 8. OTHER APPLICATIONS A Case Study of Impact on Glass Using the Combined Finite-Discrete Element Method
367 373 379 382 388 394 400 406 412 416 428 434 440 446 452 458
465
3-Distinct Element Analysis of Head Top Coals Stability Control during Mechanized Top-Coal Caving in Steep Thick Seam DEM Modelling of Particle Flow in a Turbula Mixer Modelling Breakage Environment in Tumbling Mills Using DEM and Analyzing the Outputs Vehicle Dynamics on Off-Road Terrain Charge and Structure Behaviour in a Tumbling Mill
470 471 477 484 490
Analysis of Particle Charging Behaviour via Rotating Chute of Blast Furnace by Using Discrete Element Method 496 Study on Cutting Forces of SiC Machining Process with Pre-Stressed Using DEM Simulation DEM Simulation of Particle Motion in a Paddle Mixer Prediction of Particle Breakage in Agitated Dryers: a Combined DEM and Experimental Approach Simulation of the Confined Compression Test of Iron Ore Pellets Using Random Distributed 3D Multi Particle Finite Elements On Application of Symbiotic Cellular Automaton Method for Simulation of the Mechanical Response of Lignite Modelling Flexible Material Using EDEM: Calibration and Industrial Applications DEM Analysis on Particle Behaviour in the Course of Sinter Mixture Charging Modelling Emergency Egress from a Public Facility 538 544 502 508 514 520 526 532
OPENING LECTURE
Simulations of Discontinua Theory and Applications
FROM NANOSCIENCE TO ASTROPHYSICS TOWARDS DISCRETE POPULATIONS BASED VIRTUAL EXPERIMENTATION

Antonio Munjiza
University of London
This is an opening lecture for the DEM5 International Conference on Discrete Element Methods held in London on 25th-26th August 2010. The aim of this lecture is to list and elaborate on some key challenges and opportunities that need to be addressed by the next generation of discontinua based simulation tools.
FINITE ELEMENT METHODS Computational Mechanics and Computational Physics in general have gone a long way from their humble beginnings when large scale simulations comprised 16 or 32 finite elements. From these humble beginnings over decades the researchers have first moved from linear to nonlinear problems. These were followed by introducing ever greater complexity into the simulations in order not only to increase accuracy but also to address the real nature of a particular problem. The ambition was always to model more and more complex problems and processes. Very often added complexity of new problems required development of new computational methods.
In the early days finite difference methods were mostly employed. The next logical step was the introduction of finite element methods. These were initially introduced mostly for the reason of better approximation of boundary conditions. Problems involving localizations, discontinuities, softening, fracture, etc. stretched the capabilities of the finite element methods to its limits. These posed new challenges to the finite element methods. In the process the finite element mesh, which started as a great advantage of finite element based simulation tools, became an obstacle in addressing some of these challenges. Thus, both in solids and fluids a shift towards Lagrangian formulations, meshfree approaches, particle based approaches and similar were developed. DISCRETE ELEMENT METHODS In parallel to the finite element community computational methods such as DDA, DEM, MD were developed for particular problems. Initially, the developments were completely independent from each other. For instance the DEM community was developing algorithms completely independently from MD community. Eventually the bridges were built between these tools. Also bridges towards the main stream methods of continuum such as the finite element methods were constructed and combined approaches developed such as FEM/DEM and fluid coupling. TOWARDS DISCRETE POPULATIONS METHODS In building the bridges between different methods, it is soon realized that the boundary element method can be simply seen as a subset of the finite element method. In turn the finite element method can bee seen as a subset of the meshless methods. In addition it can be demonstrated that the finite element method can be reduced to a special case of generalized discrete element methods. The finite elements simply become discrete elements and are interconnected at nodal points.
Now, when one thinks this way, a completely new approach is opened in both the way the finite element method is implemented and applied. Molecular dynamics can also be seen as a subset of discrete element methods and discrete element methods can be seen as generalization of molecular dynamics approaches. One can also say that the discrete element methods are a special case of discrete populations simulations. If we start thinking this way, there is no reason for not extending the application of discrete element methods to modeling financial markets or crowds or even biological populations. By thinking this way we soon arrive to a general analogy: the population is a mesh of finite elements, or a pile of discrete elements or a group of atoms and molecules or market participants or terrestrial bodies, etc. EMERGENT PROPERTIES In the above light we can think of results of discrete element simulations as emergent properties. For the case of simple linear finite element method, the interaction between discrete entities (finite elements) is reduced to linear interaction between the neighboring elements at nodes of the finite element mesh. The emergent property is simply stress distribution. In molecular dynamics problems the individual discrete entities are for instance atoms. Interaction between these atoms gives the problem its constitutive real world qualities. These through complex interaction patterns in time and space produce emergent properties. For instance interacting atoms of argon at low temperature will produce spherical blobs of atoms. These are nothing but liquid droplets of argon. These droplets constantly exchange atoms with the neighboring argon gas. However, they preserve spherical shape, which is known to be due to the surface tension. The nice thing is that the molecular dynamics model employed never explicitly mentions the surface tension; the surface tension together with liquid droplets appears out of nothing as an emergent property.
GENERALISATION OF THE CONCEPT OF EMERGENT PROPERTY In the light of the above discussion, it is not difficult to observe that much of the world around us functions this way. For instance take brain cells; interaction between these produces complex patterns in time and space. These in turn are manifested as intelligence in a similar way that the motion of argon atoms closely attracted to each other manifests itself as a droplet of liquid. The concept can be generalized to complex behavior of biological populations, but also to complex emergent properties associated with human populations such as markets, crowds, unrests, etc. In principle the same simulations approach applies to all of these: Take individual discrete entity, describe its interaction with other discrete entities and finally extract emergent properties.
VIRTUAL EXPERIMENTATION One can say that the generalized concept of discrete populations leads to a paradigm shift in how we see the real world. In the past scientists would rely on mathematical model for a physical problem, usually through a set of governing differential equations. Computational tools were then developed to discretise these equations in the spatial domain. In other words computational methods were a way of solving a particular set of PDEs. With discrete populations concepts, we are moving away from the set of partial differential equations and replacing these with a set of interaction rules between discrete entities discrete elements. In a sense the discrete populations system becomes a parallel virtual world and simulation becomes a virtual experiment, while the results of the simulation bring new quality. Classic simulations bring results in terms of quantity, but are not able to bring new quality. Virtual experiment, much like a real experiment surprises us with
an emergent qualitative property such as a new chemical compound or a new state of matter or a qualitatively new phenomena of different nature depending on the experiment.
Figure 1: Droplets of liquid argon from a nanoscale virtual experiment
Figure 2: Planetesimal scale virtual experiment
Virtual experiments can be performed on any scale. On the nano and atomic scale they are mostly designed to mimic the real nature of the problem as shown in Figure 1. On other scales including the terrestrial scales they can be a model of a real world. For instance in Figure 2 a growing planetesimal is simulated as an assembly of 1016 rigid, smooth spherical particles of radius 50 m and mass 5.2108 kg. The particles are held together by gravity alone without friction or any other dissipative forces. KEY CHALLENGES There remains much work to be done on modeling complex physics associated with discontinua simulations in general. Among these are complex fracture patterns, dynamic fracture, complex interaction laws such as rock joints, liquid bridges, nano-scale interactions, field based interactions, coupling, complex applications, etc. Another important front are further developments of key algorithmic procedures. These involve processing interactions, detecting contacts, visualization tools, etc. The third front is addressing the affordability of large scale simulations. During the 1980s and 1990s one could afford to do nothing on this front. Doing nothing in actual fact meant waiting for few years and getting a faster processor on your desktop. The problem is that this avenue is for the time being not available any longer. Instead of getting a faster processor on your desk, one is getting a larger number of processors. HARDWARE DILEMA By getting more processors one is confronted by the computer architecture dilema. A completely new layer of complexity is added to the simulations; in addition to having interacting particles, we have interacting processors as well.
These interacting processors either transfer big chunks of data between each other or compete for access to the same data. In both cases, the CPU is no problem any longer. The problem becomes memory. In a sense there is a parallel to the 1980s. In those days the biggest problem was RAM availability, i.e. size. These days RAM size is no problem, but access to it is. If a number of processors compete for the access to the same RAM, the CPU performance is destroyed by the waiting for RAM. In a similar way, if processors need to transfer a large amount of data between different processors, most of the time will go into copying chunks of RAM from one place to an other. There have been a number of attempts to resolve these in terms of both hardware and software. Good examples are MPI, Thread Building Blocks, Open MPI, CUDA, etc. GPU AS AN EXAMPLE OF WHAT COULD BE GPUs are massively parallel architectures built for processing graphics. These architectures are relatively inexpensive and efficient in terms of energy input needed to process large amount of data. The speed of these architectures is mostly achieved by a clever way of dealing with how memory is handled. This way the memory bottleneck is largely eliminated. By using GPU architecture instead of CPU, some complex simulation problems have been speeded up 100s even 1000s times. The problem is that the above statement is valid only for special applications and cannot be generalized to all simulations. A good example is medical imaging applications where extremely efficient solutions are not difficult to devise. Some applications of molecular dynamics benefit a lot from the GPU approach.
On the other hand, general discrete element simulations with all their complexity are not easy to map onto the relatively rigid architecture of the GPU. Nevertheless, the above mentioned examples give us some confidence that we are entering the era of exponential growth of parallel architecture approaches. It is most likely that parallel architecture designers will have to take some input from simulation community in order to address the key challenges of massively parallel scalable architectures. If successful, it will provide another revolution in both scale and complexity of simulations. CONCLUSIONS This is the 5th conference in the series organized by my predecessors. It has presented us with a good number of high quality contributions ranging from engineering, industrial and scientific applications to novel algorithmic developments some of which go as far as paradigm shifting and/or addressing the problems solution of which would provide a qualitative leap forward. ACKNOWLEDGMENTS I would like to thank the International research community for trusting me with organizing the conference. Also, I would like to thank my local team of hard working organizing committee, secretaries, finance people, www people, publications people, catering people without whose help it would not be possible to have this conference. At the end I would like to thank all the participants, authors, reviewers, keynote speakers and the plenary speaker for all the effort and good will.
PLENARY LECTURE
10
Multi-core Strategies For Particle Methods

John R. Williams, David Holmes and Peter Tilke*
Massachusetts Institute of Technology, *Schlumberger-Doll Research Laboratory
This paper discusses the implementation of particle based numerical methods on multi-core machines. In contrast to cluster computing, where memory is distributed across machines, multi-core machine can share memory across all cores. Here general strategies are developed for spatial management of particles and sub-domains that optimize computation on shared memory machines. In particular, we extend cell hashing so that cells bundle particles into orthogonal tasks that can be safely distributed across cores avoiding the use of memory locks while still protecting against race conditions. Adjusting task size provides for optimal load balancing and maximizing cache hits. Additionally, the way in which tasks are mapped to execution threads has a significant influence on the memory footprint and it is shown that minimizing memory usage is one of the most important factors in achieving execution speed and performance on multi-core. A novel algorithm called H-Dispatch is used to pipeline tasks to processing cores. The performance is demonstrated in speed-up and efficiency tests on a smooth particle hydrodynamics (SPH) flow simulator. An efficiency of over 90% is achieved on a 24-core machine.
INTRODUCTION Recent trends in computational physics suggest a rapidly growing interest in particle based numerical techniques. While particle based methods allow robust handling of mass advection, this comes at the computational cost of managing the spatial interactions of particles. For problems involving millions of particles, it is necessary to develop efficient strategies for parallel implementation. A variety of authors have reported parallel particle codes on clusters of machines (see for example Nelson et al [1], Morris et al [2], Sbalzarini et al [3], Walther and Sbalzarini [4], Ferrari et al [5]). The key difference between parallel computing on clusters and on multi-core is that memory can be shared across all cores on todays multi-core machines. However, there are well known challenges of thread safety and limited memory bandwidth. A variety of approaches to programming on multi-core have been proposed to-date. Concurrency tools from traditional cluster
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computing, like MPI [6] and OpenMP [7] have been used to achieve fast take-up of the new technology. If one runs an MPI process on each core, the operating system guarantees memory isolation across processes. Communication of information across process boundaries requires MPI messages to be sent, which is relatively slow compared with direct memory sharing. In response to this, Chrysanthakopoulos and co-workers [7, 8] have implemented multi-core concurrency libraries using Port based abstractions. These mimic the functionality of a message passing library like MPI, but use shared memory as the medium for data exchange, rather than exchanging serialized packets over TCP/IP as is the case for MPI. Such an approach provides extensibility in program structure, while still capitalizing on the speed advantages of shared memory. In an earlier paper, Holmes et al. [9] have shown that a programming model developed using such port based techniques provides significant performance advantages over MPI and OpenMP. In this paper, we apply the programming model proposed in [9] to the parallelization of particle based numerical methods on multi-core. PARTICLE BASED NUMERICAL METHODS Mesh based numerical methods have been the cornerstone of computational physics for decades. Here, integration points are positioned according to some topological connectivity or mesh to ensure compatibility of the numerical interpolation. Examples of Eulerian mesh based methods include finite difference (FD) and the lattice Boltzmann method (LBM), while Lagrangian examples include the finite element method (FEM). While powerful for a wide range of problems, mesh limitations for problems involving large deformation and complex material interfaces has led to significant developments in meshless and particle based methodologies. For such methods, integration points are positioned freely in space, capable of advecting with material in a Lagrangian sense. For methods like molecular dynamics (MD) and the discrete element method (DEM), such points represent literal particles (atoms and molecules for MD and discrete grains for DEM), while for methods like dissipative particle dynamics (DPD) [10], smooth particle hydrodynamics (SPH) [11], wavelets [12], and the reproducing kernel particle method (RKPM) [13], the particle analogy is largely figurative. For such methods, parti-
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cles provide positions at which to enforce a partition of unity. By partitioning unity across the particles, continuity can be imposed without a defined mesh, allowing such methods to represent a continuum in a generalized way. In Eulerian mesh based methods, such as FD and LBM, continuity is inherently provided by the static mesh, while for Lagrangian mesh based approaches like FEM, continuity is enforced through the use of element shape functions. The partition of unity imposed on mesh-free particle methods can be seen to be a generalization of shape functions for arbitrary integration point arrangements. From Li and Liu [14] ...meshfree methods are the natural extension of finite element methods, they provide a perfect habitat for a more general and more appealing computational paradigm - the partition of unity. The advantage of partition of unity methods is that any expression related to a field quantity can be imposed on the continuum. Where, for a bounded domain in Eucledean space, a set of nonnegative compactly supported functions, sums to unity. Correspondingly, the value of some field function can be determined from its value at all other points via f ( x ) ak ( x k )
k 0 ,1, 2... n
The function f (x) can be related to any physical field expression; hydrodynamic, mechanical, electrical, chemical, magnetic etc. Such versatility is a key advantage of particle methods. Strategies for Programming on Multi-Core By eliminating the need for ghost regions and high volume to surface ratio sub-domains, shared memory enables a near arbitrary selection of spatial divisions by which to distribute a numerical task. Correspondingly, it becomes convenient to repurpose a spatial division strategy already in use in one form or other in most particle based numerical codes. Spatial hashing techniques have been used widely to achieve algorithmically efficient interaction detection in particle codes (see for example DEM [15, 16]).
SPATIAL HASHING IN PARTICLE METHODS
The central idea behind spatial hashing is to overlay some regular spatial structure over the randomly positioned particles e.g. an array of equally sized cells. We can then perform spatial reasoning on the cells rather than on the particles themselves.
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Spatial hashing assigns particles to cells or bins based on a hash of particle coordinates. The numerical expense of such an algorithm is O (N) where N is particle number [15,16]. A variety of programmatic implementations of hash cell methods have been used (for example linked list). In this work a dictionary hash table is used where a generic list of particles is stored for each cell and indexed based on an integer unique key to that cell, i.e. key ( k ny j ) nx i where nx and ny are the total number of cells in the x and y dimensions and i, j and k are the integer cell coordinates in the x, y and z dimensions.
Managing Thread Safety The cells also provide a means for defining task packages to the cores. By assigning a number of cells to each core we assure task orthogonality in that each core is operating on different set of particles. Traditional software applications for shared memory parallel architectures have utilized locks to avoid thread contention. We note that a core may read the memory of particles belonging to surrounding cells but may not update them. We execute a single
loop in which global memory for both previous and current field values ( vtn and
vt n1 ) is stored for each particle. Gradient terms can then be calculated as functions of values in previous memory, while updates are written to the current value memory, in the same loop. In parallel, minimizing the frequency of so called synchronization points has advantages for performance and we utilize this rolling memory algorithm. This allows the previous and updated terms to be maintained without needing to replace the former with the latter at the end of each step and thus, ensuring a single synchronization per step.
Counter Intuitive Design In a typical SPH simulator, two operations must be done on particles in each cell per step, separated by a synchronization, the first to determine the particle number density of each particle, and the second to perform the field variable updates. Interacting particles must be known for each of these two stages. Using a standard SPH formulation, the performance of two structure variations are compared in this case study: A. Interacting particles are determined in the first stage for all cells and stored in a global list for use in the second, and B. Interacting particles are determined as needed in each stage for each cell, i.e. twice per cell per time step. Recalculation of interacting particles means they need
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only be kept in a local thread list that is overwritten with each newly dispatched cell. While differences in execution memory are to be expected of the two code versions, the differences in execution time are more surprising. For low core counts (< 10 cores), as would be expected, the single search variant (A) solves more quickly than the double (B) due to less computations. After this point, however, the double search (B) is shown to provide marked improvements in speed over (A) (up to 50%). This can be attributed to better cache blocking of the second approach and the significantly smaller amount of data experiencing latency when being loaded from RAM to cache. The fact that such performance gains only manifest when more than 10 cores are used, suggests that for less than 10 cores, RAM pipeline bandwidth is sufficient to handle a global interaction list.
Fig 1. (a) memory vs. Number of Particles (b) Speed-up vs. Number of Cores The MIT SPH simulator (see http://geonumerics.mit.edu ) has been validated for single and multi-phase flow. Figure 2 shows results for two phase RayleighTaylor instability [17].
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Fig 2. Rayleigh-Taylor instability example showing extremely complex fluid phase interface geometries; clear liquid is water, green liquid is oil. [9].
REFERENCES
1. M. T. Nelson, W. Humphrey, A. Gursoy, A. Dalke, L. V. Kale, R. D. Skeel, K. Schulten, NAMD: a parallel, object-oriented molecular dynamics program, International Journal of High Performance Comp. Applications 10 (1996) 251-268. 2. J. P. Morris, Y. Zhu, P. J. Fox, Parallel simulations of pore-scale flow through porous media, Computers and Geotechnics 25 (1999) 227-246. 3. I. F. Sbalzarini, J. H. Walther, M. Bergdorf, S. E. Hieber, E. M. Kotsalis, P. Koumoutsakos, PPM - a highly efficient parallel particle-mesh library for the simulation of continuum systems, Journal of Computational Physics 215 (2006) 566-588. 4. J. H. Walther, I. F. Sbalzarini, Large-scale parallel discrete element simulations of granular flow, Engineering Computations 26 (2009) 688{697.
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5. A. Ferrari, M. Dumbser, E. F. Toro, A. Armanini, A new 3D parallel SPH scheme for free surface flows, Computers and Fluids 38 (2009) 1203-1217. 6. W. Gropp, E. Lusk, A. Skjellum, Using MPI: Portable Parallel Programming With the Message-Passing Interface, MIT Press, Cambridge, 1999. 7. X. Qiu, G. C. Fox, H. Yuan, S.-H. Bae, G. Chrysanthakopoulos, H. F. Nielsen, Parallel data mining on multicore clusters, in: 7th International Conference on Grid and Cooperative Computing GCC2008. 8. G. Chrysanthakopoulos, S. Singh, An asynchronous messaging library for C#, in: Proceedings of the Workshop on Synchronization and Concurrency in ObjectOriented Languages, OOPSLA 2005, San Diego, 2005, pp. 89-97. 9. D. W. Holmes, J. R. Williams, P. Tilke, An events based algorithm for distributing concurrent tasks on multi-core architectures, Computer Physics Communications 181 (2010) 341-354. 10. M. Liu, P. Meakin, H. Huang, Dissipative particle dynamics simulation of pore-scale multiphase fluid flow, Water Resources Research 43 (2007) W04411. 11. J. J. Monaghan, Smoothed particle hydrodynamics, Annual Review of Astronomy and Astrophysics 30 (1992) 543{574. 12. W. K. Liu, Y. Chen, Wavelet and multiple scale reproducing kernel methods, International Journal for Numerical Methods in Fluids 21 (1995) 901{931. 13. W. K. Liu, S. Hao, T. Belytschko, S. Li, C. T. Chang, Multi-scale methods, International Journal for Numerical Methods 14. S. Li, W. K. Liu, Meshfree Particle Methods, Springer-Verlag, Berlin Heidelberg, 2004. 14. A. Munjiza, K. R. F. Andrews, NBS contact detection algorithm for bodies of similar size, International Journal for Numerical Methods in Engineering 43 (1998) 131-149. 16. J. R. Williams, E. Perkins, B. Cook, A contact algorithm for partitioning N arbitrary sized objects, Engineering Computations 21 (2004) 235-248. 17. A. M. Tartakovsky, P. Meakin, A smoothed particle hydrodynamics model for miscible flow in three-dimensional fractures and the two-dimensional Rayleigh-Taylor instability, Journal of Computational Physics 207 (2005) 610624.
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KEYNOTE LECTURE
18
DEM VALIDATION A SIMPLE PROBLEM

Colin Thornton1, Sharen Cummins2, Paul Cleary2
1 2
School of Chemical Engineering, University of Birmingham, Birmingham, B15 2TT, UK
CSIRO Division of Mathematics, Informatics and Statistics, Private Bag 33, Clayton, Vic 3168, Australia
Using a variety of contact force models reported in the literature we compare the rebound kinematics obtained for both elastic and inelastic oblique collisions of a sphere with a target wall. For elastic impacts, it is shown that a simple linear spring model can produce excellent agreement with the results of the much more complicated Hertz, Mindlin and Deresiewicz contact mechanics based model, provided that an appropriate value of the ratio of the tangential to normal spring stiffness is used. For inelastic impacts, reasonable agreement is obtained when viscous dissipation models are compared with plastic dissipation models provided that the coefficient of restitution is not set too low. However, the investigation did reveal that some contact force models are intrinsically wrong and reasons for this are discussed.
INTRODUCTION Attempts to quantitatively validate DEM simulations by comparing with experimental data are often frustrated by uncertainty in terms of the experimental data and the fact that frequently the simulated particles are spheres and the experimental particles are non-spherical. Even with the advent of very sophisticated experimental techniques such, as PIV, MRI and PEPT, comparisons are normally restricted to the spatial and temporal particle velocity distributions and not detailed
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local events in other words the general overall behaviour. However, the overall behaviour in these systems is dominated by the applied external field and the boundary conditions imposed rather than the physics at the particle scale. Therefore, such comparisons may provide good correlations rather than rigorous validations against experiment. An important aspect of DEM simulations, the significance of which is not fully understood, is the sensitivity to the various contact force models that have been proposed and implemented. In order to compare the consequences of using different contact force models we examine the simple problem of a single spherical particle impacting a planar target wall at different impact angles and with no initial particle spin. Both elastic and inelastic collisions are considered. The effects of different contact force models on the behaviour of a sphere impacting a wall obliquely have been reported by Schfer et al [1] but, since then, other models have been proposed. ELASTIC IMPACTS It is now well established that for interactions between two elastic spheres or an elastic sphere and a planar surface the normal interaction follows the theory of Hertz, see Johnson [2], and the tangential interaction is provided by the theory of Mindlin and Deresiewicz [3]. This combination of interaction rules will be referred to as the HMD model and will be used as the benchmark against which other models will be compared. The solution for the rebound kinematics has been illustrated by numerical implementation of the HMD model [4], DEM simulations [5], FEM simulations [6] and experiments [7, 8, 9]. The excellent agreement between the various data sets has been demonstrated in [6, 10]. In addition to the HMD model, we examine a simpler version by combining the Hertzian model for the normal stiffness with the no-slip theory of Mindlin [11] for the tangential stiffness. We label this the HM model. This model differs from the H-MDns model suggested by Di Renzo and Di Maio [12] which we also examine. We also consider the model proposed by Langston et al [13] and used by [14], which is labeled the LTH model. Finally, we examine a linear spring (LS) contact force model, originally suggested by Cundall and Strack [15]. This model
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assumes that, during contact, the two interacting bodies are connected, both normally and tangentially, by linear springs. INELASTIC IMPACTS The most common contact force model, used for both normal and tangential interactions, is the linear spring-dashpot model introduced by Walton [16], here referred to as the LS+D model. We also consider a non-linear spring variant in which we add normal and tangential dashpots to the HM model and label this as the HM+D model. These dashpot models dissipate energy through viscous means. Other normal interaction models dissipate energy plastically via the use of different loading and unloading spring stiffnesses. In order to mimic plastic deformation as observed in experiments, Walton and Braun [17] introduced a so-called partially latching spring model in which the normal unloading stiffness was higher than the normal loading stiffness. For the tangential interaction, Walton and Braun [17] used a non-linear stiffness that was crudely based on the Mindlin and Deresiewicz [3] loading curve. The same model was used by Stronge [18] for the normal interaction but a linear spring was used for the tangential interaction. We choose to examine the simpler model proposed by Stronge [18] but due to the significance of the normal interaction we label it the WBS model. Three other models that incorporate plastic dissipation are also considered. The most complex one is to combine the theory of Thornton [19] for the normal interaction with the theory of Mindlin and Deresiewicz [3], which is labeled the TMD model. A non-linear simplified version of the TMD model is to combine the theory of Thornton [19] with the no-slip theory of Mindlin [11] and is labeled the TM model. Finally, a linearised version of the TM model is examined that is essentially the same as the model used by Luding [20] for non-adhesive contacts. This model is labelled the LTM model. RESULTS AND DISCUSSION In the case of elastic impacts it was found that the results of the simple LS model were in excellent agreement with the results obtained using the much more complex HMD model provided that an appropriate value of the ratio of the tan-
21
gential to normal stiffness is used. The HM model performed less well but the results were not unreasonable and were better than the corresponding results obtained using the HM-Dns model proposed in [12]. The LTH model predictions were very different from the results predicted by all the other models. More details of the results are provided in [21]. In the case of inelastic impacts, all the models were in reasonable agreement provided that the normal coefficient of restitution was not set too low, not less than 0.5. However, the trends obtained with the WBS model were opposite to all the other models as the coefficient of restitution was decreased. More details are provided in [22]. Most of the models used for this simple impact problem were observed to give reasonable results at least for low energy dissipation. However, it should be remembered that the linear springs in the LS, LS+D, WBS and LTM models were calibrated to give the best possible agreement with the HMD and TMD models. In general DEM simulations, even in the collisional regime, spring stiffnesses cannot be so reliably calibrated a priori. The LS+D, WBS and LTM models use constant pre-specified coefficients of restitution that are independent of the relative impact velocity, although this can be somewhat modified as suggested in [17]. Also, the impact duration is independent of the relative impact velocity in the LS, LS+D, WBS and LTM models. These simplifications could be quite significant for systems near the jamming transmission when enduring contacts start to evolve. Consequently, the HM, HM+D and TM models may be more attractive alternatives to the complicated and computationally expensive HMD and TMD models. This is because (i) the model parameters are based on real material properties, Youngs modulus and Poissons ratio, (ii) there is no need for any calibration of the normal spring stiffness (iii) the force evolution is more realistic and (iv) the impact duration is velocity dependent. However, for systems with enduring contacts, further comparative studies are required.
22
REFERENCES 1. J. Schfer, S. Dippel, D. E. Wolf, Force schemes in simulations of granular materials, J. Phys. I France, 6, 5-20, 1996. 2. K. L. Johnson, Contact Mechanics, Cambridge University Press, 1985. 3. R. D. Mindlin, H. Deresiewicz, Elastic spheres in contact under varying oblique force, Trans. ASME J. Applied Mechanics, 20, 327-44, 1953. 4. N. Maw, J. R. Barber, J. N. Fawcett, The oblique impact of elastic spheres, Wear, 38, 101-14, 1976. 5. C. Thornton, Z. Ning, C. Y. Wu, M. Nasrulla, L. Y. Li, Contact mechanic and coefficients of restitution In Granular Gases (T. Pschel, S. Luding, eds.), Springer Berlin, pp 184-94, 2001. 6. C. Y. Wu, C. Thornton, L. Y. Li, Coefficient of restitution for elastoplastic oblique impacts, Advanced Powder Technology, 14, 435-48, 2003. 7. N. Maw, J. R. Barber, J. N. Fawcett, The role of elastic tangential compliance in oblique impact, Trans. ASME J. Lubrication Technology, 103, 74-80, 1981. 8. S. F. Foerster, M. Y. Louge, H. Chang, K. Allia, Measurements of the collisional properties of small spheres, Physics of Fluids, 6, 1108-15, 1994. 9. A. H. Kharaz, A. D. Gorham, A. D. Salman, An experimental study of the elastic rebound of spheres, Powder Technology, 120, 281-91, 2001. 10. C. Y. Wu, C. Thornton, L. Y. Li, A semi-analytical model for oblique impacts of elastoplastic spheres, Proc. Roy. Soc. London A, 465, 937-60, 2009. 11. R. D. Mindlin, Compliance of elastic bodies in contact, Trans. ASME J. Applied Mechanics, 16, 259-68, 1949. 12. A. Di Renzo, F. P. Di Maio, Comparison of contact-force models for the simulations of collisions in DEM-based granular flow codes, Chemical Engineering Science, 59, 525-41, 2004. 13. P. A. Langston, U. Tzn, D. M. Heyes, Discrete element simulation of granular flow in 2D and 3D hoppers: dependence of discharge rate and wall
23
stress on particle interactions, Chemical Engineering Science, 50, 967-87, 1995. 14. Y. C. Zhou, B. D. Wright, R. Y. Yang, B. H. Xu, A. B. Yu, Rolling friction in the dynamic simulation of sandpile formation, Physica A, 269, 536-53, 1999. 15. P. A. Cundall, O. D. L. Strack, A discrete numerical model for granular assemblies, Gotechnique, 29, 47-65, 1979. 16. O. R. Walton, Application of molecular dynamics to macroscopic particles, Int. J. Engineering Science, 22, 1097-107, 1983. 17. O. R. Walton, R. L. Braun, Viscosity, granular-temperature, and stress calculations for shearing assemblies of inelastic, frictional disks, J. Rheology, 30, 949-80, 1986. 18. W. J. Stronge, Planar impact of rough compliant bodies, Int. J. Impact Engineering, 15, 435-50, 1994. 19. C. Thornton, Coefficient of restitution for collinear collisions of elasticperfectly plastic spheres, Trans. ASME J. Applied Mechanics, 64, 383-6, 1997. 20. S. Luding, Cohesive, frictional powders: contact models for tension, Granular Matter, 10, 235-46, 2008. 21. C. Thornton, S. J. Cummins, P. W Cleary, An investigation of the comparative behaviour of alternative contact force models during elastic collisions, Powder Technology, submitted. 22. C. Thornton, S. J. Cummins, P. W Cleary, An investigation of the comparative behaviour of alternative contact force models during inelastic collisions, Powder Technology, to be submitted.
24
COUPLED DISCRETE ELEMENT AND FLUID MODELLING WITH NON-SPHERICAL GRAINS

J. E Hilton and P. W. Cleary
CSIRO Mathematics, Informatics and Statistics, Clayton South, Victoria, Australia
We present a coupled discrete element and fluid method in which the particle shape can range from ellipsoidal to cuboidal, based on a superquadric formulation. Our method takes into account factors such as the local particle orientation and porosity. The method is applied to systems including fluidised beds and pneumatic conveying. We show that shape plays an important role in the dynamics of each of these systems.
INTRODUCTION Most grains possess some degree of shape, but much of the computational modelling to date using the Discrete Element Method (DEM) has used the approximation of spherical grains. The shape of a grain can significantly influence the dynamics of a granular system 1 . The coupling of fluid dynamics to DEM has extended the capability of the method to a wide range of two-phase gas-solid or gas-liquid systems, such as fluidised beds and pneumatic conveying. The influence of grain shape on these systems has not, however, been fully investigated. We present a method for coupling a fluid model to DEM with shaped particles and show applicability of our method to these systems. Importantly, we show that particle shape alters the dynamics of each system, meaning that a spherical approximation may not result in an accurate simulation of the true behavior of these systems.
25
DEM was first formulated by Cundall and Strack 2 . We use a superquadric DEM formulation allowing granular systems with a wide range of grain shapes to be simulated 3 . This is coupled to an Eulerian scheme for fluid flow through packed particle beds. The fluid-particle coupling forces from the lift and drag forces are based on empirical formulae and are modified, where necessary, to account for the shape of the particle.
a)
Fluid Velocity
b)
c)
Prolate Ellipsoid
Particle
Level 1
Sphere
Oblate Ellipsoid Level 2 Projected Face Area Level 3 Cuboid
Fig 1. a) The projected face area used in drag calculations b) Voidage fraction calculated using Octree method c) Shapes represented using superquadrics Drag Forces. The drag force is the dominant fluid-particle interaction force in the system. The drag force exerted on a particle in a multi-particle system with corrections due to Di Felice 4 is:
FD = 1 cd u r Au r 2
= 3.7 0.65 exp
1 2
(1.5 log Re ) }
2
(1)
where the fluid density, ur the local relative flow velocity and the local voidage fraction. The local Reynolds number is given by Re = 2r|ur|/ where r is the equivalent spherical radius of the particle and is the fluid dynamic viscosity. We use a drag coefficient cd for non-spherical particles given by Holzer et al. 5 , based on correlations to experimental data. The drag coefficient uses the projected cross-sectional area of the considered particle perpendicular to the flow, which is calculated for each particle at each timestep from the local incident relative flow
26
vector, as shown in Fig. 1a. The area is calculated by summation the projection of discretised rim of the super-quadric particle onto a plane orthogonal to the flow vector. Particles are also subject to Stokesian rotational drag, given by TD = 8r3r. Lift Forces. Lift forces are crucial for systems with gas flow over small particles. Shear (Saffman) lift and rotational (Magnus) lift forces are both included in our model. The shear lift force, FLS, on an isolated spherical particle is given by a generalisation of Saffman's 1D form 6 by Drew 7 with an empirical correction given by Mei 8 : FLS = 6.46cls r 2 ur D D
e Re10 0.3314 e Re10 + 1 cls = 0.0524 Re
Re 40 Re > 40
(2)
where the rate of deformation tensor D = (ur+urT) and = |D|r/|ur|. A spherical particle subject to a relative spin r = f - p, where f is the local fluid vorticity and p is the particle spin, is also subject to a Magnus lift force, FLM, with an empirical correction given by Lun and Lui 9 :
FLM = 1 clm r 2 2
r ur r
Re 1
2r r clm = 0.522 2r r 0.178 + 0.822 Re
(3)
Re > 1
Fluid dynamics. We use constitutive equations for gas flow through a porous bed for modelling the system, given by Kafui5. If the gas density is assumed constant the expressions can be re-formulated for the superficial gas velocity u = u:
= u t
(4)
27
1 u 1 u + ( u ) u + u = p + f fp + ( ) + g t where p is the fluid pressure, the stress tensor takes the usual form and the fluid particle interaction body force, ffp, is the volume averaged force from the particle drag on the fluid. These equations are discretised on a Cartesian grid over the simulation domain. The porosity is explicitly calculated from the DEM simulation at each timestep using a recursive Octree approach, as shown in Fig. 1b 10 . APPLICATIONS Fluidised beds. A series of simulations was carried out of fluidised beds filled with particles of varying shape: Spherical, for benchmarking and validation, prolate ellipsoidal, oblate ellipsoidal and cuboidal, shown in Fig. 1c. The pressure drop measured over the bed was compared to the empirical Ergun relation 11 .
1.6
Difference between Ergun and simulated pressure gradient, kPa
1.4 1.2 1.0 0.8 0.6 0.4 0.2 0.0 0.0 0.2 0.4 0.6 0.8 1.0 1.2 1.4
u
Oblate Ellipsoid
Cuboid Prolate Ellipsoid
Spherical Fluidisation velocity, u

1.6 1.8 2.0
Spheres Cuboids
Fig 2. Difference between fluidised bed pressure drop from the Ergun relation and from simulations with shaped particles (left). Comparison of a bed of spherical and cuboidal particles with an inflow gas velocity of 3 m/s, 0.15s after the start of the simulation (right). It was found that the pressure drop for shaped particles was much greater than predicted using the Ergun relations. Furthermore, the pressure drop was greatest for the oblate ellipsoids, which were found to have the highest average projected
28
face area in the flow direction. The difference between the simulated and predicted pressure drop is shown in Fig. 2 (left). The fluidization velocity of the bed was also found to be lower for shaped particles. Fig. 2 (right) shows a comparison between a bed of spheres and a bed of cuboidal particles after 0.15s with an inflow gas velocity of 3 m/s. The cuboidal bed has fully fluidised, but the spherical bed is still within an un-fluidised bubbling regime. Pneumatic conveying. A long duct of square cross section with periodic boundary conditions was used to asses the influence of particle shape on pneumatically conveyed particles.
p 0.05s p
0.10s
0.15s
0.20s
0.25s
0.30s Spheres Prolate Ellipsoids
Fig 3. Pneumatic conveying of spherical (left) and prolate ellipsoidal particles (right) with an applied pressure gradient of 2400 Pa/m. The duct was half filled with either spherical, cuboidal or a series of ellipsoidal particles with different aspect ratios and driven down the pipe using a pressure gradient imposed on the gas. If a pipe is blocked by particles a slug can form in the pipeline, which is a slow moving plug of material filling the entire bore of the pipe. We found slugs only formed for particles with an aspect ratio close to spherical. Fig. 3 shows a comparison between pneumatically conveyed spheres
29
(left) and prolate ellipsoidal particles with the same volume (right) at the same imposed driving pressure gradient of 2.4 kPa/m. The spherical particles form a slug, but the ellipsoidal particles form a dilute flow of airborne particles over a sheared lower layer. No slugs were found to form for either prolate or oblate ellipsoids with high aspect ratios. The behaviour of the system can be explained using a force balance between the driving pressure through the bed and the frictional resistance between the slug and the base of the duct. Beds composed of shaped particles form denser packings, increasing the pressure gradient over the slug. This increase in pressure gradient is sufficient to destabilise slug formation. CONCLUSION We have combined the Discrete Element Method for shaped particles with a fluid solver. We have applied the method to a range of systems and found that shape plays a very significant role in each system. Our results open new possibilities for simulation of fundamental and applied granular flow systems and highlight the limitations of the spherical approximation in the Discrete Element Method. REFERENCES
1 2
Cleary, P.W., Sawley, M.L. (2002), App. Math. Mod., 26, p89 Cundall, P. A. and Strack, O. D. L. (1979), Geotechnique, 29, p47 3 Cleary, P.W. (2004), Engineering Computations, 21, p169 4 Di Felice, R. (1994), Int. J. Multiphase Flow, 20, p153 5 Hlzer, A. and Sommerfeld, M. (2008), Powder Technology, 184, p361 6 Saffman, P. G. (1964), J. Fluid Mech, 22, p385 7 Drew. D. (1976), Archive for Rational Mechanics and Analysis, 62, p149 8 Mei, R. (1992), Int. J. Multiphase Flow, 18, p145 9 Lun, C. K. K. and Liu, H. S. (1997), Int. J. Multiphase Flow, 23, p575 10 Hilton J. E., Mason L. R. and Cleary P.W. (2010), Chem. Eng. Sci., 65, p1584 11 Ergun, S. (1952), Chem. Eng. Prog., 48, p89
30
MODELLING OF COUPLED MULTI-PHYSICS IN DISCRETE SYSTEMS

Y. T. Feng, K. Han, D. R. J. Owen
Civil and Computational Engineering Centre, School of Engineering Swansea University, SA2 8PP, UK
Abstract The paper presents a numerical framework for modelling the coupled multi-physics phenomena in particle systems, including thermal and magentic elds. It is a further extension of the combined Lattice Boltzmann and discrete element method developed for solid particle transport in uid ows.
INTRODUCTION The discrete element method (DEM) has provided a powerful numerical tool for modelling mechanical behaviour of particle systems. In a wide range of applications in science and engineering involving solid particles, other physical phenomena, such as uid, thermal, radiation and electro-magnetic, may also be present. The complexity involved in coupled multi-physical phenomenon imposes a real challenge to develop eective numerical modelling strategies for particle systems. Over the last few years, the authors have developed the so called combined Lattice Boltzmann (LBM) and Discrete Element approach [1, 4] which appears to provide an ideal numerical simulation framework particularly for solid particle transport in uid ows, in which LBM is used to model incompressible uid ows; DEM is to model the motion of and the interaction between the solid particles; and the hydrodynamic interaction between 1
Simulations of Discontinua Theory and Applications 31
the uid and particles are accounted for by utilisation of an immerse boundary technique. The LBM can also be applied to model heat transfer in a uid system[2]. The current work presents the further extension of the methodology to couple additional physical elds including thermal and electric/magnetic.
Discrete Thermal Element Modelling of Heat Transfer in Particle Systems

In our recent work [3, 5], a novel numerical methodology termed the discrete thermal element method (DTEM) is proposed the modelling of heat conduction in systems involving a large number of circular particles. The basic formulation is outlined below. Consider a particle in an assembly which is in contact with n neighboring particles. (Unknown) heat ux distributions are imposed over the n isolated contact zones on the boundary of the particle, and the reminder of the particle boundary is assumed fully insulated. Each contact zone, which is assumed to be an arc, is described by the position in terms of an angle of its middle point, and the contact angle that determines the contact arc length. The average temperature Ti over the i-th contact arc can be obtained as
n
Ti =
j=1
Qj 4i j
ln sin
i j
ij + dd + To 2
(1)
where Qj is the resultant ux on the j-th arc; To is the average temperature of the particle; and ij = i j . The above equation can be expressed compactly as
n
Ti =
j=1
hij Qj + To
i j
(i = 1, ..., n) ij + dd 2
(2)
where hij =
1 4i j
ln sin
i j
(3)
2
or in an explicit approximation form hii = and

6 8 4 i i 1 3 2 + ln i + + i + i + 2 36 2700 79380 252000
(4)
1 ln | sin(i j )/2| By introducing the element temperature and ux vectors, hij = Te = {T1 , ..., Tn }T , and Qe = {Q1 , ..., Qn }T and the element thermal resistance matrix He = hij
nn
(5)
as well as an n 1
vector with all components of unity, e = {1, ..., 1}T , Eq. (2) can be expressed in matrix form as Te eTo = He Qe (6) By utilising the global heat ux equilibrium condition can be rewritten as Ke Te = Qe where
T Ke = Ke ge ge /e ; n i=1
Qi = 0, Eq. (6) (7)
Ke = H1 ; e
ge = Ke e, e = eT ge
is the so-called element conductivity matrix. Eq. (7) is essentially the heat conduction equation in discrete form for the particle, which denes the discrete thermal element. An important feature of (7), and thus this new thermal element, is that it has an identical form as a nite thermal element. In other words, each circular particle can be viewed as a special shaped nite thermal element, although both approaches stem from dierent principles. The immediate consequence is that the subsequent procedure in this discrete thermal element method to model the assembled particle system can follow the same steps as used in FEM. For transient analysis, a simplied version of the DTEM, termed the pipe-network model, is proposed
3
in [5] in which each particle is replaced by a simple thermal pipe-network connecting the particle centre with each contact zone associated with the particle. The entire algorithmic structure of the pipe-network model is compatible with the discrete element method, leading to an eective scheme for simulating thermal-mechanical coupling problems. The numerical examples are given in [3, 5]. The method can also easily be combined with the thermal LBM to model heat transfer (including forced or natural convection) in a particle-uid (gas) system. The above methodology has also be extended to 3D spherical particles [7].
Modelling Magnetorheological Fluids

A magnetorheological (MR) uid is a type of smart uid which is composed of micrometer-sized particles suspended in a carrier uid. Without an externally applied magnetic eld, a MR uid is usually Newtonian. Upon application of an external eld, the particles acquire an magnetic dipole moment, which, due to dipolar interactions, induces particle aggregation to form chainlike structures aligned with the applied magnetic eld, perpendicular to the direction of the uid ow. This change in the suspension microstructure greatly alters the rheological properties of the uid due to the restricted uid motion. The apparent viscosity of the uid can be increased up to several orders of magnitude and the uid becomes non-Newtonian. The rheological behavior of the uid could be described as that of a classical Bingham uid - a material with a yield stress that does not ow unless the applied stress exceeds the yield stress. Additionally, the response of a MR uid to the external magnetic eld is usually rapid (in milliseconds). These features have given rise to many control-based applications, ranging from dampers and clutches in mechanical engineering, shock absorbers in the automotive and aerospace industry, to nishing in optics. The combined lattice Boltzmann and discrete element approach [1, 4] has proved eective in simulations of particle transport problems. The approach can be extended to model MR uids if the magnetic interaction between the particles can be appropriately considered. The whole issue has been compre4
hensively addressed in [6], together with the discussion of all the computational issues involved.
References
[1] Y. T. Feng, K. Han, D. R. J. Owen. Coupled lattice Boltzmann method and discrete element modelling of particle transport in turbulent uid ows: Computational issues. International Journal for Numerical Methods in Engineering, 72 (9): 1111-1134, 2007. [2] K. Han, Y. T. Feng and D. R. J. Owen. Modelling of Thermal Contact Resistance Using Thermal Lattice Boltzmann Method. Journal of International Journal of Thermal Sciences. 47(10): 1276-1283, 2008 [3] Y. T. Feng, K. Han, C. F. Li, D. R. J. Owen. Discrete thermal element modelling of heat conduction in particle systems: Basic Formulations. Journal of Computational Physics. 227: 5072-5089, 2008. [4] Y. T. Feng, K. Han, D. R. J. Owen. Combined three-dimensional lattice Boltzmann method and discrete element method for uid-particle problems: computational issues and experimental assessment. International Journal for Numerical Methods in Engineering, 81(2):229-245, 2010 [5] Y. T. Feng, K. Han, D. R. J. Owen. Discrete thermal element modelling of heat conduction in particle systems: Pipe-network model and transient analysis. Powder Technology, 193(3):248-256, 2009. [6] K. Han, Y. T. Feng and D. R. J. Owen. Three Dimensional Modelling and Simulation of Magnetorheological Fluids. International Journal for Numerical Methods in Engineering, Published Online: May 25 2010, DOI: 10.1002/nme.2940 [7] Y. T. Feng, C. F. Li, K. Han, D. R. J. Owen. Discrete thermal element modelling of heat conduction in spherical particle systems. The current proceedings, 2010. 5
1 ALGORITHMS AND SOLVERS
36
MRCK_3D CONTACT DETECTION ALGORITHM

E. Rougier Geophysics Group, Los Alamos National Laboratory, Los Alamos, New Mexico, USA 87545 A. Munjiza Department of Engineering, Queen Mary, University of London, U.K, E1 4NS. Large-scale FEM-DEM and DEM simulations involving contact of a large number of separate bodies need an efficient, robust and flexible contact detection algorithm. In this work the MRCK_3D search algorithm is outlined and its main CPU performances are evaluated. One of the most important aspects of this newly developed search algorithm is that it is applicable to systems consisting of many bodies of different shapes and sizes. INTRODUCTION The Combined Finite-Discrete Element Methods (FEM-DEM) and the Discrete Element Methods (DEM) are characterized by systems consisting of a large number of separate (distinct) bodies often called discrete elements. Discrete elements are usually free to move in space and time and thus interact with each other. Routine FEM-DEM and DEM problems may involve millions of interacting discrete elements. In this context a fast, efficient and flexible, i.e. able to deal with particles of general shape, contact detection algorithm is necessary. In other words, the effective solution of large-scale real world problems relies upon a robust contact detection algorithm being employed. However, the optimal contact detection algorithm is usually dependent upon the problem to be solved. The properties of different contact detection algorithms make them suitable for different types of problems such as dense packing and loose packing or quasistatic problems (where relative motion of individual bodies is restricted) and
Correspondence to E. Rougier, Geophysics Group, Los Alamos National Laboratory, MS-D408, Los Alamos, New Mexico, USA 87545. email: erougier@lanl.gov
37
dynamic problems1,2,4,5. Real problems, where contact detection is a big issue, are dynamic problems, consisting of large numbers of discrete elements that are free to move significantly3. In this context, one of the more important requirements for a contact detection algorithm is the minimization of the total detection time T, i.e. the total CPU time needed to detect all couples close to each other. This is a key issue when real world problems are to be simulated. In this paper the CPU time performance of the MRCK_3D contact search algorithm is presented for an ideal case involving particles of general shape. MRCK_3D SHORT DESCRIPTION The MRCK_3D is a space based contact detection algorithm developed for the general FEM-DEM framework, but also applicable to DEM simulations. In the following paragraphs a short description of the algorithm is given. The detailed description of this algorithm is outside of the scope of this work and will be presented in future publications. The first step of the algorithm is to decompose the simulation space onto cells, as shown in Figure 1. Given any two particles, one called contactor and the other one target, the contact search problem is reduced to determine whether the contactor and the target share at least one cell. If they do, the couple is reported back to the interaction routine for processing the actual contact.
(4, ny - 1, 6) ymax y x (0, 0, nz - 1) z ymin xmin xmax zmax (6, 4, nz - 1) zmin (nx - 1, ny - 1, 0) (nx - 1, 7, 2)
Figure 1. Cell based space decomposition. The following step in the MRCK_3D algorithm is to discretize the boundaries of the target particle onto a set of points and then to render those points onto the
38
cells. The point rendering process is performed by simply calculating the integerized coordinates of the points as follows: (1) zi z min yi y min x xmin ii int i ; k i int d ; ji int d d where ii, ji, ki are the integerized coordinates of the point i; xi, yi and zi are the actual coordinates of point i; xmin, ymin and zmin are the minimum coordinates of the system and d is the cell size. The integerized coordinates of the target points are stored into three arrays. These arrays are ordered according to the MR space ordering criterion1,2. The first ordering, istep = 0, is done using a Binary Sort routine. For istep > 0, i.e. when the particles have moved, the ordering of the integerized coordinate arrays is done using the MR-Linear Sort criterion, i.e.: exploiting the temporal coherence of the list. It is worth noting that in this work all the particles are discretized onto tetrahedrons. However, the algorithm is also prepared to handle particles discretized into hexahedrons. If needed, further extensions to more complex particle shapes can also be implemented. The rendering of the contactor particle is done on a tetrahedron by tetrahedron basis. First each tetrahedron is expanded outwards by a buffer distance given by (2) dbuff 3d
in order to ensure that no contact is missed during the search. Following the expansion, the tetrahedron is divided onto regions along the z axis. Each region is decomposed onto slices along the y axis. Finally, each slice is decomposed onto columns along the x axis, see Figure 2. The MR spatial ordering criterion is exploited to improve the performance of the search algorithm. For each region the maximum and minimum integerized z coordinates are calculated, (3) k min , k max The target z integerized coordinate array is searched using binary search routines to determine whether there is at least one point with integerized coordinate k that satisfies (4) k min k k max
39
Expanded Tetrahedron kmax imin z kmin y jmin x Region jmax Slice Column imax
Figure 2. Rendering: Decomposition of a tetrahedron onto regions, slices and columns. If the answer is no, the rendering process for the region is stopped, i.e. there is no contacting couple to report for this region, and the next region is processed. However, if there is at least one point that satisfies Eq. (4), the rendering process for the region has to continue. The region is divided onto slices along the y axis, see Figure 2, and a process similar to the one described above is followed, i.e. the maximum and minimum y integerized coordinates for the slice are calculated (5) jmin , jmax The target y integerized coordinate array is searched using binary search routines to determine whether there is at least one point with integerized coordinates j and k that satisfy Eq. (4) and Eq. (6) (6) jmin j jmax If the answer is no, the rendering process for the slice is stopped, i.e. there is no contacting couple to report for this slice, and the next slice is processed. However, if there is at least one point that satisfies Eq. (4) and Eq. (6), the rendering process for the slice has to continue. Each slice is divided onto columns along the x axis, see Figure 2. The maximum and minimum x integerized coordinates for the column are calculated (7) imin ,imax
40
All of the points that satisfy Eq. (4), Eq. (6) and Eq. (8) are reported as potential contacts to the interaction routine. (8) imin i imax It is worth noting that during the search process only the target cells are remembered. The contactor cells are calculated on the fly and discarded once the search for each contactor tetrahedron is finished.
NUMERICAL EXAMPLES
The performance evaluation of the MRCK_3D is done with the help of a cubical hollow raster of particles of general shapes placed inside a rigid spherical container, as shown in Figure 4. In this work, four different types of particles of general shapes were selected as shown in Figure 3. A B C D
Figure 3. Particles of general shape. Particle A: 128 tetrahedrons, Particle B: 184 tetrahedrons, Particle C: 160 tetrahedrons and Particle D: 187 tetrahedrons.
Figure 4. Left: Full 3D hollow raster. Right: Sliced view of the 3D hollow raster inside the rigid spherical container. The raster is centered with respect to the spherical container. There is no initial overlap between the particles. Each particle is given an initial velocity pointing to the center of the sphere. The speed of each particle is set to 100 m/s.
41
The system is left to relax, and as a result, a random pattern of collisions takes place between the particles, as shown in Figure 5.
Figure 5. Time evolution of the collapsing of the raster of particles inside the rigid spherical container. For the sake of clarity the spherical container was filtered out from the frames. The cell size needs to be specified to the MRCK_3D algorithm. The level of sensitivity of the MRCK_3D search algorithm to the change of the cell size is shown in Figure 6. In the Figure d is the cell size and lmin is the length of the smallest edge on the system. As the cell size is increased, the performance of the MRCK_3D approaches that of the Quadratic Search algorithm, i.e.: all the particles are contained in one cell and all couples are reported as potential
42
contacts. On the other hand, if the cell size is chosen to be too small, a degradation of the performance of the search algorithm is noticed. This is due to the fact that the contactor has to be decomposed onto a much larger number of cells. In the simulations presented in this paper the cell size was set to the value shown in Eq. (9) (9) d 0.1 lmin The cell size shown in Eq. (9) is not the optimum point for the search algorithm alone, but it is the optimum point for the combined search and interaction algorithms. The specific CPU time, i.e. seconds of CPU per Nstep and per Ntet (where Nstep and Ntet are the total number of time steps run and the total number of tetrahedrons present in the system), consumed by the search routines is shown in Figure 7. From the figure it can be seen that the time consumed in rendering the target points is almost an order of magnitude smaller than the time needed to render the contactors.
160 140 CPU Time [sec of CPU Clock] 120 100 80 60 40 20 0 0.001 Search Interaction Search + Interaction
0.010
0.100 d / l min
1.000
10.000
Figure 6. CPU time as a function of the cell size.
43
3.0E-02
Total Search
Specific CPU Time (s / Ntet / Nstep )
2.5E-02 2.0E-02 1.5E-02 1.0E-02 5.0E-03 0.0E+00 0.0E+00
Render Target Render Contactor & Find Contacts
5.0E+05
N tet
1.0E+06
1.5E+06
Figure 7. Specific CPU time as a function of the number of tetrahedrons. Time taken in an Intel Xeon E5540 2.53 GHz CPU.
CONCLUSIONS
The newly developed MRCK_3D preserves excellent properties of NBS, CGRID and MR search algorithms. It is worth noting that one of the main advantages of MRCK_3D algorithm over NBS and MR algorithms is that it can handle particles of any shape and size. This is a key aspect within the combined FEM-DEM method framework. The combined FEM-DEM method is often applied to real world problems where particles can undergo fracture and fragmentation along the process, creating new sub-particles of very different shapes and sizes. The MRCK_3D is designed to handle these real world phenomena without difficulties. The changes of the CPU time with the number of tetrahedrons present in the system and also the sensitivity of the algorithm to the cell size have been demonstrated. However, it is outside the scope of this paper to demonstrate some other nice properties of the MRCK_3D algorithm, i.e: CPU efficiency as a function of the packing density, etc.
44
ACKNOWLEDGEMENTS
The work presented on this paper was done as part of a collaboration with Ted Carney and Earl Knight from the Geophysics Group (EES-17) of Los Alamos National Laboratory, Los Alamos, NM, USA.
REFERENCES
1. 2. 3. 4. 5.
A. Munjiza, E. Rougier and N.W.M. John, MR linear contact detection algorithm, Int. J. Numer. Meth. Eng., 66(1): 4671, 2006. A. Munjiza, E. Rougier and N.W.M. John, MR-linear contact detection algorithm for fragmenting solids., Advances in Boundary Element Techniques V, Lisbon Portugal, Published by EC Ltd, UK, 279286, 2004. A. Munjiza, The Combined Finite-Discrete Element Method, Published by John Wiley and Sons LTD, New York, 2004. A. Munjiza and K.R.F. Andrews, NBS contact detection algorithm for bodies of similar size, Int. J. Numer. Meth. Eng., 43: 131149, 1998. J.R. Williams, E. Perkins and B. Cook, A contact algorithm for partitioning arbitrary sized objects, Eng. Computations, 21(2/3/4): 235-248, 2004.
45
POLYHEDRA ON THE CHEAP

Mark A. Hopkins
US Army Cold Regions Research and Engineering Laboratory
A new approach for discrete element modeling using dilated polyhedral particle shapes is discussed. This technique is suitable for non-convex polyhedral shapes that are based on the dilation process from mathematical morphology. An arbitrary polyhedral shape is dilated by placing the center of a sphere of fixed radius at every point on the surface. Although the dilated vertices become sphere segments and the edges become cylinder segments, the polyhedra can be made arbitrarily sharp by limiting the dilation radius. Defining a contact between two dilated polyhedra is equivalent to determining which spheres amongst the infinite number that cover the surface of each object is in contact. The algorithm is based on the idea that contacts between two dilated polyhedra can be grouped into three categories; vertex on surface, vertex on edge, and edge on edge.
INTRODUCTION Particle shapes used in discrete element modeling include disks and spheres, ellipsoids and poly-ellipsoids, and polygons and polyhedra. Contact detection ranges from trivial for disks and spheres to non-trivial for ellipsoids, polygons, and
46
polyhedra. Ellipsoidal contact detection has been much discussed. Hopkins (2004) presents a simple approach for dilated ellipsoids. Peters et al. (2009) presents a similar approach for contact detection between poly- or asymmetrical ellipsoids. Cundall (1988) presents an algorithm that places a common plane that bisects the space between a pair of polyhedra. If the particles are in contact then both intersect the common plane. Nezami et al., (2006) present a faster approach for establishing a common plane that they call the shortest link method. All of these methods are iterative. This work presents an approach that makes a trade-off between adding extra particles in the form of a sphere at each vertex and a cylinder at each edge for a trivial, non-iterative solution for the vertex on surface, vertex on edge, and edge on edge contacts between two polyhedral particles. The penalty paid for this simplification is a drastic increase in the number of possible contacts that must be searched. However, for slowly deforming systems this penalty can be significantly reduced by using appropriate filters and increasing the interval between successive searches. The list of actual and pending contacts that are compiled during a search is fairly optimal, especially when one considers the necessity for multiple contacts points (or the equivalent) for the contact between two flat parallel particle surfaces. Furthermore, since the contact detection works between vertices and edges and triangular surfaces, the polyhedral particles may be non-convex as long as they are comprised of triangular surfaces. The second important feature of the approach discussed here is the use of dilated particles. In the dilation process in mathematical morphology (Serra, 1986) an arbitrary shape is dilated by placing the center of a sphere of fixed radius at every point on the surface of the basic shape. For example dilating a line segment results in a cylinder with hemispherical ends and dilating a two-dimensional flat disk results in a three-dimensional disk. This feature ensures that the vertex or edge of one undilated polyhedral particle never penetrates the surface of the other undilated polyhedral particle. (If this happens the code crashes.) This means that we never have to ask whether the vertex is inside the other polyhedral particle. We only have to ask
47
whether the closest point between the undilated polyhedral particles is less than the sum of the two dilation radii. Similarly, we dont have to ask whether an edge of one undilated polyhedral particle is inside an edge of the other undilated polyhedral particle merely whether the shortest distance between the lines is less than the sum of the two dilation radii. This simplifies the process significantly. CONTACT DETECTION AND MECHANICS The code begins by reading in a list of polyhedral particles that includes the location of the center of mass and orientation, the vertex vectors, the number of triangular surfaces, edges, and vertices, and the indices of the vertices that define the edges and triangular surfaces. Next the program defines a set of quasi particles for the surfaces, edges, and vertices. The quasi particles are polygons, cylinders, and spheres, respectively. The polyhedra are placed in an ordinary three-dimensional search grid. In the search algorithm the spheres and cylinders examine the grid around their location for neighboring polyhedra. For each neighboring polyhedra each possible sphere on polygon, sphere on cylinder, and cylinder on cylinder contact is examined. Various simple filters are effective in drastically reducing the number of pairs that are examined. In a sphere on polygon contact we ascertain whether or not a perpendicular from the sphere to the plane of the triangular polygon lies within the triangle. If it is within the triangle and the length of the perpendicular is less than sum of the two dilation radii plus some epsilon then the pair (the sphere and the polygon) is stored in the list of pending contacts. This process is implemented by dropping a perpendicular from the sphere to the plane of the triangle. The in-plane location of the point is transformed to the body coordinate frame of the triangle. The first edge vector of the triangle is crossed into the vector from the first vertex of the edge vector to the point. If the cross product is positive then the point is inside that edge. This process is repeated for the other two sides. If all cross products are positive then the point lies inside the surface and contact is possible. The normal from the surface to the sphere defines the plane of contact. We are not concerned with contacts with the edge of the
48
triangle since these will be captured by the sphere-cylinder algorithm. In a sphere on cylinder contact we ascertain whether or not the shortest distance between the sphere and the line segment that defines the edge is less than sum of the two dilation radii plus some epsilon. If so then the pair (the sphere and the cylinder) is stored in the list of pending contacts. This process is implemented by making a vector from the midpoint of the cylinder axis to the sphere. The component perpendicular to the axis of the cylinder is subtracted leaving the component parallel to the axis. If this component extends beyond either end of the cylinder it is truncated to that end point. If the vector from end of the resulting vector to the sphere is less than sum of the two dilation radii plus some epsilon then the pair (the sphere and the cylinder) is stored in the list of pending contacts. Furthermore, that vector defines the plane of contact. In a cylinder on cylinder contact we ascertain whether or not the shortest distance between the line segment that defines one edge and the line segment that defines the other edge is less than sum of the two dilation radii plus some epsilon. If so then the pair (the two cylinders) is
Fig 1. Falling polyhedra.
49
stored in the list of pending contacts. This process is implemented using one of the many existing algorithms (e.g., Sunday, 2010) for finding the closest distance between two line segments in three-dimensional space. The list of pending particle contacts between pairs of particles is cycled through at each time step. Each pair is examined for contact using the algorithms described above. The normal and tangential components of the interparticle force are calculated from a modified Hertzian model with parallel viscous damping and a Coulomb friction cap on the tangential force. The goal of this effort is to develop a model of a triaxial cell filled with a model soil having polyhedral grains. REFERENCES 1. Cundall, P.A., Formulation of a three-dimensional discrete element model, Int. J. Rock Mech. and Mining Sci. and Geomech. Abstracts, 25(3): 107-116, 1988. 2. Hopkins, M.A., Discrete element modeling with dilated particles, Engng. Comput., 21(2), 422-430, DOI: 10.1108/02644400410519866, 2004. 3. Nezami, E.G., Y.M.A. Hashash, D. Zhao, and J. Ghaboussi, Shortest link method for contact detection in discrete element method, Int. J. Numer. Anal. Meth. Geomech., 30: 783-801, 2006. 4. Peters, J., M.A. Hopkins, R. Kala, and R.E. Wahl, A poly-ellipsoid particle for non-spherical discrete element method, Eng. Computations, 26, Issue 6, 645-657, DOI: 10.1108/02644400910975441, 2009. 5. Serra, J., Introduction to Mathematical Morphology, Computer Vision, Graphics, and Image Processing 35, 283-305, 1986. 6. Sunday, D., Distance between Lines and Segments with their Closes Point of Approach, http://softsurfer.com/Archive/algorithm_0106/algorithm_0106.htm, 2010.
50
AN EVENT DRIVEN DISCRETE ELEMENT MODELLING APPROACH

Y. T. Feng, K. Han, D. R. J. Owen
Civil & Computational Engineering Centre, School of Engineering, Swansea University, UK
Abstract: The current work presents an asynchronous/multiply time stepping integration scheme for the simulation of dynamic systems exhibiting multi-fracture and discrete features. It is a novel extension of existing methodologies to the discrete element simulation and several fundamental developments in both theoretical and implementation aspects are achieved that are essential for the success of the approach. It is shown that the resulting AVI/MTS discrete element method can achieve a nearly optimal speed-up for typical discrete systems. However, the stability is the issue that needs to be further addressed
INTRODUCTION Significant advances have been made over the last decade in the modelling of practical problems that exhibit strong discrete phenomena by employing discrete element solution strategies [1]. Typical examples include granular/particulate materials in the processing industry and geo-mechanics. The highly nonlinear contact dynamic/impact nature of these systems dictates that explicit time integration, such as central difference schemes, are almost the only feasible option to be employed to compute the system dynamic response. The stability issue associated with an explicit time integration, however, imposes a severe constraint on the
51
maximum time step that can be used. In many discrete particulate systems, however, a wide range of particulate size distribution must be employed so that the underlying physical features can be captured to a certain degree. Normally, the smallest element controls the maximum time-step that can be employed, leading to extremely intensive computations involved in the simulations. There has been a continuous interest over the last two decades in the development of time integration schemes that can inherently exploit different time scales in finite element analysis of many science and engineering problems. In addition to the cases of the finite element analysis of structural dynamic systems where the sizes of elements can be significantly different, which lead to different dynamic scales of the elements, multi-scale dynamic features also exist in problems where highly heterogenous materials and/or different physical phenomena are present. Since 1980s, some effort has been made in the finite element community to develop so called multiple/sub-cycling time step (MTS) methods [2] where larger time steps may be used for the regions with larger finite elements. More recently, a more flexible approach, termed the Asynchronous Variational Integrator (AVI) [3], is proposed within the general framework of symplectic integrators for conservative (Hamiltonian) systems. Limited numerical examples have demonstrated their potential for significantly reducing computations in structural dynamic analysis. Note that similar MTS methods have also been proposed in molecular dynamic simulations [4]. The current work attempts to extend both MTS and AVI to discrete element simulations so that a substantial improvement in terms of computational costs can also be gained for the problems concerned. However, the extension is not trivial, due primarily to the nature of the continuously changing configuration of the discrete systems. This is essentially equivalent to the development of an eventdriven solution approach for discrete elements. Several fundamental developments are therefore needed to overcome the difficulties. In addition, theoretical and implementation issues will be identified that are essential for the success of the approach. It will be shown that the resulting AVI/MTS based event-driven discrete element solution approach can achieve a nearly optimal speed-up for typical discrete systems. However, the stability is the issue that needs to be further addressed.
52
MTS/AVI APPROACHES FOR FINITE ELEMENT SYSTEMS Node/Element Update: AVI is so called element-partition based while MTS/subcycling approaches are node-partition based and there exist several variants. For their suitability for discrete systems currently concerned, only the noninteger ratio constant-velocity subcycling scheme [2] is considered. The node/element update procedures for both MTS and AVI are illustrated in Fig.1. Importantly, both approaches can be viewed as an event-driven time stepping scheme, whereby each time step is treated as an event.
7 4 4 5 3
tm
3 4 3
tm
3tm
1
t e 2
2tm
t e1
1 2
(a)
(b)
Fig.1. Node/element update: (a) MTS/Subcycling constant velocity; (b) AVI

Stability: One important issue associated with MTS and AVI is their numerical
stability in comparison with the original single time step counterpart (the central difference algorithm). The stability is examined numerically for simple springmass models as shown in Fig2. For the model (a), the critical time step associated with each node (mass) is
cr t1cr = 2 / 1 = 2 m1 k1 = 2; t2 = 2 / 2 = 2 m2 k2 = 2 m2
(1)
53
Assuming m2 1 , the actual time steps for the two nodes in MTS are chosen to be
t1 = t1cr ; t2 = nt1 (interger n = [1 / 2 ]) (2) where 0 < < 1 is the time step factor. Fig.1(a) depicts the (capped) energy increase of MTS for the system after 1000 time steps for different values of and nodal frequency/time ratios 1 / 2 , revealing the existence of a complex unstable region within the standard stable limit. A similar result is also obtained for AVI for the model (b) and is shown in Fig.2(b). In this case, m1 + m2 = 1 . By varying the ratio of m1 / m2 , different element frequency ratios can be achieved. Again a complex unstable region is emerged. Note, however, that the unstable region can be reduced by introducing the system damping. These results indicate that the stability issue for both MTS and AVI is more pronounced than the central difference scheme commonly used.
m1=1 k1=1 k2=1 (a)
m2 k3=1 k1=1
m1
m2 k2=1 (b)
Fig.2. Numerical stability: (a) MTS/Subcycling constant velocity; and (b) AVI
54
MTS/AVI BASED EVENT-DRIVEN APPROACHES FOR DSICRETE ELEMENT SYSTEMS Algorithmic issues
MTS and AVI methods for finite element systems cannot be directly applied to discrete element cases without important modifications to be made to the discrete element method. The difficulty lies in the feature of continuous changing configurations of discrete systems which requires the constant update of the contact list between discrete objects. As both MTS and AVI advance only a (small) part of the objects at each step, a global search algorithm should be able to effectively deal with this situation. Unfortunately, most of currently used contact search methods are not suitable for this purpose and a new effective approach has been development. In addition, the improved computational efficiency can be achieved in MTS and AVI mainly by the reduction of the number of internal force computations, but at the expense of an increased overhead for additional data processing. To maximise the speed-up several operations are agglomerated at each internal force calculation.
Priority queue for AVI
Although AVI has an advantage over MTS for its flexibility to choose desirable time steps for elements, an efficient scheduling procedure, or a priority queue, has to be applied to determine the order of element operation. The elements in the priority queue are ordered according to the next time when they are to become active. The order of complexity of maintaining a priority queue is however N log N which may lead to a possible computational bottleneck for large scale applications. To overcome this problem, a bin-type algorithm is implemented which regroups the elements into a limited number of bins and thus avoids the use of priority queue and also provides a unified implementation of MTS and AVI.
NUMERICAL ILLUSTRATIONS
Both MTS and AVI approaches developed are numerically assessed by two test cases: hopper filling and particle compaction, with 3000 discrete particles. The
55
element size is distributed evenly in the range of [1,10] and both disks and ellipses are considered. The speed-up of the methods over the standard discrete element approach (i.e. the central difference scheme based) is listed in Table 1. Note that the maximum speed-up that can be achieved is about 3.40. A higher speed-up can be expected for a wider range of particle size, while a lower speed-up will be achieved otherwise. Also no significant difference is observed between MTS and AVI, although the former is slightly more efficient than the latter.
Case Case 1 Case 2 No of particles 3000 3000 Particle shape size disk ellipse disk ellipse Speed-up MTS AVI 2.15 2.01 3.23 3.12 2.26 2.12 3.24 3.15
Table 1 : Speed-up of MTS and AVI for two test cases

REFERENCES
1. D. R .J. Owen, Y. T. Feng and E. A. de Souza Neto, The modelling of multifracturing solids and particulate media. Int. J. Numer. Meth. Engng., 60(1): 317340 (2004). 2. M. O. Neal and T. Belytschko, Explicit-explicit sub-cycling with non-integer time step ratio for structural dynamic systems. Computers & Structures, 31: 871880 (1989). 3. A. Lew, J. E. Marsden, M. Ortiz and M. West, Variational time integrators, Int. J. Numer. Meth. Engng., Vol. 60(1):153212 (2004). 4. T. Schlick, R. D. Skeel, A. T. Brunger, L. V. Kale, J. A. Board Jr., J. Hermans and K. Schulten, Algorithmic challenges in computational molecular biophysics. J. Comp. Physics. 151: 9-48 (1999)
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DEVELOPMENT OF A ROTATIONAL RESISTANCE MODEL IN THE DISCRETE ELEMENT METHOD

Yoshinori yamada1, Mikio Sakai1, Masao Tsuchiya2, Shuichi Hirayama2
1 The University of Tokyo, School of Engineering 2Kinzoku-Giken Co, Ltd.
The Discrete Element Method (DEM) is widely used in computational granular dynamics. The DEM is a Lagrangian approach where individual particles are calculated based on the Newtons second law of motion. Hence, the DEM enables us to investigate the granular flow characteristics at the particle level. Spherical particles has been used in most of the DEM simulations because the contact judgment is easy. On the other hand, the particle shape might affect the powder flowability. When effect of the particle shape on the flowability cannot be neglected, the particle shape was modeled by meshes or cluster of calculated particles in the past study. However, the calculation cost of these models became too expensive. As a result, these models could not be applied in large scale powder systems. Thereat, a new modeling which gives the effect of particle shape is developed in the present study. This model is called rotational resistance model. The rotational resistance based on the particle shape is modeled in the DEM. This model can simulate the non-spherical particle behavior without excessive calculation cost. The adequacy of this model is proved by experiment in this study.
57
INTRODUCTION Granular materials are used in many industrial processes, e. q., fluidized bed, pneumatic conveying system. In these processes, it is important to control these granular materials behavior. In order to investigate the complicated phenomena related to the granular flows, numerical analysis is a promising approach. The Discrete Element Method (DEM)[1] is widely used in many granular systems. The DEM is a simulation method that calculate each granular particle dynamics based on Newton's second law. Although the DEM can calculate granular dynamics with a high resolution, it requires much calculation cost. Hence, in the DEM simulation, granular particle shape is often assumed to be sphere in order to reduce calculation cost. On the other hand, actual particle shape is non-spherical. The particle shape might affect the flowability. The effect of the particle shape on the flowability might be important. In the past studies, the non-spherical particle was modeled by connecting some spherical particles[2] or using mesh[3]. These modeling need excessive calculation cost, so that they could not be applied in large scale systems. In this study, we develop a rotational resistance model to calculate the nonspherical particle behavior without excessive calculation cost. In this study, the adequacy of the rotational resistance model is shown by numerical examples and experiments. DEVELOPMENT OF A ROTATIONAL RESISTANCE MODEL In this study, we develop a rotational resistance model into DEM in order to consider the non-spherical shape. In this model, we use spherical particle. The effect of the non-spherical particle is considered by the non-spherical particle pose. The spherical particle has virtual vertexes (Fig. 1). The contact force act on the nearest vertex. After that, the torque from contact force is calculated. If two particle contact condition is regarded to be surface to surface, we calculate additional torque based on viscous damper. The difference between the ordinal spherical model and the rotational resistance model is only a torque calculation.
58
Fig. 1 : Contact point and torque from contact force

Partition plate
70mm
70mm
Fig. 2 : Initial condition of simulation NUMERICAL SIMULATIONS AND EXPERIMENTS In this study, we performed two-dimensional simulation of granular column breaking. The initial condition of simulation is shown in Fig. 2. The height of the columns is 70mm and the length is 70mm. We moved the left-side partition plate to upper side by acceleration 9.8m/s2. We performed 2 case simulations about original spherical model and using a rotational resistance model. Physical properties are shown in Table 1. We performed 2 case experiments that correspond to their simulations. The height and length of column is the same and the depth is 100mm. We chose Alumina particle as spherical particles Case 1 and quartz sand as non-spherical particles Case 2.
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Table 1 : Physical properties Case 1 Rotational Resistance model Number of vertex Particle diameter Spring constant Restitution coefficient Friction coefficient Density 3mm 1000N/m 0.8 0.3 3900kg/m
3
Case 2 6 3mm 1000N/m 0.8 0.3 3900kg/m3
(a) Simulation result : Case 1 RESULTS AND DISCUSSION
(b) Simulation result : Case 2
Fig. 3 : Typical snapshots of the simulation results Figure 3 shows the snapshots of the simulation results. The mass of avalanche granular of Case 2 is less than that of Case 1. Figure 4 show the snapshots of the experiment results. The mass of avalanche granular of Case 2 is less than that of Case 1.
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(a) Experiment result : Case 1
(b) Experiment result : Case 2
Fig. 4 : Typical snapshots of the experiment results Table 2 : Angle of repose Case 1 Simulation Experiment 19.8 20.9 Case 2 33.5 32.3
Table 2 shows the angle of repose of the simulation results and the experiment results. In simulations, the angle of repose of Case 2 is 13.7 larger than the one of Case 1. These results qualitatively show that the rotational resistance model can simulate non-spherical particle behavior. In experiments, the angle of repose of Case 2 is 11.4 larger than the one of Case 1. These results show that nonspherical particles are less flowable than spherical particles. The differences of the angle of repose between the simulation results and the experiment results are 1.1 in Case 1 and 1.2 in Case 2. The differences are enough smaller than one between the simulations and the experiments. These results quantitatively show that a rotational resistance model can simulate nonspherical particle behavior. Table 3 shows calculation time about Case 1 and Case 2. Case 2 took about
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Table 3 : Calculation time Case 1 Calculation time 41.67s Case 2 54.67s
30% larger than that Case 1 did. This additional calculation costs seems to be much less than previous model like using some particle or mesh to model the nonspherical particle. CONCLUSION In the past studies, non-spherical particle is modeled by some spherical particle or mesh, so that the calculation cost became excessive. In order to resolve this issue, we developed a rotational resistance model to introduce the effect of the nonspherical particle movement. The adequacy of this model was proved by the experiments. The calculation time of simulation with or without the rotational resistance model was measured and compared. In the future, we are going to apply the rotational resistance model to largescale powder systems. REFERENCES 1. Cundall, P. A. and O. D. L. Strack, A Discrete Numerical Model for Granular Assembles, Geotechnique, 29, 47-65, 1979. 2. Matsusima, T. and H. Saomoto, Discrete Element Modeling for Irregularlyshaped Sand Grains, Proc:NUMBE2002 : Numerical Methods in Geotech. Eng., 239-246, 2002. 3. Latham, J. P., A. Munjiza, J. Mindel, J. Xiang, R. Guises, C. C. Pain, G. Gorman and X. Garcia, Modelling of massive particulates for breakwater engineering using coupled FEMDEM and CFD, Particuology, 6, 572-583, 2008.
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Page 1
DESCRIPTION OF ROTATION IN THE MOVABLE CELLULAR AUTOMATON METHOD

Aleksey Yu. Smolin, Nikita V. Roman, Serguei G. Psakhie
Institute of Strength Physics and Materials Science SB RAS, Tomsk, Russia
The problem of rotation description in particle methods is discussed. It is shown that taking into account rotation either as a degree of freedom or via motion of the neighboring particles allows to describe classical isotropic continuum. To describe more complex media it is required to realize the both ways of rotation description and to consider rotational degree of freedom as independent rotation.
INTRODUCTION Rotation takes place in the nature at any scale level from elementary particles to galaxies. In the movable cellular automaton (MCA) method, a discrete method for simulation material behavior at meso- and macroscale, rotation is taken into account as an independent degree of freedom of an automaton in addition to translation motion of its centroid [1]. When automaton size tends to zero, the MCA method would describe some continuum. It was shown that using linear response function for automata tends to the Hook's law for the result continuum when automaton size vanishes [2]. But rotation was not taken into account in that paper and therefore it has been still undetermined what a continuum the MCA method describes when automaton size vanishes: a classical one, where an elementary point has no rotational degree of freedom or a micropolar one, where an elementary volume has nonzero inertia moment and is characterized by independent rotation [3].
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Page 2
TAKING INTO ACCOUNT ROTATION AS INDEPENDENT DEGREE OF FREEDOM IN THE FRAMEWORK OF MCA METHOD Description of rotation in the MCA method is adopted from discrete element method [4]. At that there is a moment of forces acting among automata and applied in their contacts in the right side of the Euler equation (for rotational velocity). Let us consider calculation of the force resisting shear deformation (main tangential force) in MCA. As is well known, any two points i and j of rotating rigid solid has the same rotational velocity and their translational velocities are described by the formula rij , where rij (r j ri ) , ri is radius-vector of the point i, ij is rotaj i ij tional velocity of the rigid body. We can apply this formula for an automaton pair ij toget rotational velocity ij of the pair as a hole. If premultiply both sides of the above equation by vector rij and neglect rotation about the pair axis (i.e.
ij
rij
0 ), then one can obtain the following formula
ij
nij (
) rij .
Instantaneous rate of shear strain of automaton i under its interaction with automaton j can be defined as a ratio of tangential velocity in the contact point to the distance qij from the center of automaton i to its contact with automaton j: sh q ij ( ij nij q ij nij , where i is rotational velocity of ij i) ij i automaton i. Shear strain of automaton i at time T is defined by the integral
sh ij
ij
(t )dt
ij
(1)
where
ij
is vector of rotation of the pair axis relative to the initial position.
For small deformation we can use Hook's law to compute the resistance force:
f ij
(Gi
ij
Gj
ji
) nij
(2)
where Gi is the shear modulus of the material of automaton i. Eq. (2) describes the pair tangential force produced by shear strain of each automata of the pair.
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From equations (1) and (2) one can see, that in case of rotation of automata of the pair with velocities of the same value but in the opposite directions ( i j ), the shear resisting force (2) does not prevent such motion. But the medium, described by such automata is subjected to deformation and has to resist it by the torque proportional to i j . This means that for correct describing of motion of the media, not an ensemble of particles, it is required to add such torque which resists to relative rotation of the elements to the moment of inter-element forces. TAKING INTO ACCOUNT ROTATION AS COOPERATIVE MOTION OF MEDIUM ELEMENTS Numerical methods of classical continuum mechanics give solution of motion equations as displacement or translation velocities of mesh nodes. Rotations in the medium can be computed from consideration of distortion of the mesh cells containing the node examined. Obviously, this approach should allow computing rotation in the MCA method also. To do so, rotation velocity of an element may be considered as an average rotation velocity of all its neighbors interacting with it. In 3D the problem how to determine such average rotation may be formulated as follows. There are points j=1..N, defined by vectors rij , starting at the fixed point i. Each point j moves relative to point i with velocity ij . This motion can be represented as rotation of a solid having points j about point i. Real motion of each point j is a sum of such average rotation of a solid and deformation of this solid. The problem: to determine rotational velocity i of this solid. Computations with rotation taken into account in such way showed that in this case we have the same behavior as in case of taking into account rotation explicitly. At least compressiontension tests, shear and the Lamb's problem did not reveal any significant dissimilarity. ADVANTAGES OF TAKING INTO ACCOUNT INDEPENDENT DEGREE OF FREEDOM. ROTATION AS
In spite of similarity of the results in both approaches it should be noted that taking into account rotation as independent degree of freedom allows modeling
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more complicated medium with implicit describing its internal structure. For example, it was shown that stress tensor for such medium in general is a nonsymmetrical one, as it should be for a Cosserat medium with bending torsion. More of that, it is possible to get a constitutive equation for micropolar medium describing a granular media based on computations by discrete element method (with explicit rotation) [3].
Fig 1. Spherical wave of longitudinal rotation as vector field of rotational velocities (at the right the cross section is shown) Taking into account rotation by the both approaches simultaneously gives the possibility to model a Cosserat medium by the MCA method if consider rotational degree of freedom as independent rotation. Of course, this leads to necessity of introducing additional elastic modulii, which are considered in the theory of micropolar media and can be defined experimentally. As is well known, a new type of elastic waves are possible in such a medium, for example longitudinal rotation wave. Fig. 1 shows development of spherical waves of longitudinal rotation, computed by the MCA method. The wave is initialized by setting rotational velocity to the automaton in the center of the cubic body. In spite of bell-shaped (positive) initial signal the resulting wave consists of two regions of opposite rotation just as a spherical longitudinal elastic wave consists of a compression region followed by an expansion region.
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Disadvantage of taking into account rotation as motion of surrounding neighbors is an ambiguity in case of breaking one or more bonds with neighbors or in case of formation of a new bond that may occur under severe deformation. SIGNIFICANCE OF TAKING INTO ACCOUNT ROTATION FOR MCA METHOD Let us consider how significant is rotation for the MCA method. For this purpose we analyzed the problem of elastic waves generation and propagation in a half-space from the point source on the surface (the Lamb's problem) solved by the MCA method with taking into account rotation and without it (Fig. 2). According to symmetry of the problem we considered a quarter of a steel cube with the size of 0.25 m ( =7800 kg/m3, vP=5.95 km/s, vS=3.19 km/s. The automaton size was 0.0025 m. Symmetric boundary conditions was applied on the planes X=0 and Y=0, the other faces of the cube were free. Initial pulse of velocity was applied in the origin of coordinates (shown in Fig. 2 by the arrow) as a bell of sine curve during 5 s. The results in Fig. 2,b,c are shown at 40 s in Y=0 plane.
Fig. 2. Velocity field for the Lamb's problem solved by various models: a,b cubic packing with rotation of automata, c cubic packing without rotation As a result of such loading the longitudinal P and transverse (shear) S elastic waves are formed at some distance from the source in the medium. Free surface of the body cause generation of the conical C and Rayleigh R waves. The computation shows that the result obtained without rotation taken into account depends on the packing of automata used. More of that, Rayleigh's wave in that case vanishes and the shear wave propagates immediately after the longitu-
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dinal wave with the same velocity, that is a qualitatively wrong result (Fig. 2,c). It has to be noted that close packing in 2D has larger order of symmetry and provides qualitatively correct results, there is just a difference in wave velocities. Taking into account rotation provides simulation result to be not depending on the used packing of automata and physically correctness of elastic waves description for continuum (Fig.2,a,b) CONCLUSION Thus, the study conducted shows that rotation of automata taken into account as independed degree of freedom or via motion of neighboring automata allows correct describing classical continuum by the movable cellular automata method. To describe more complex media (for example Cosserat continuum) it is required to realize the both ways and to consider rotational degree of freedom as independent rotation. ACKNOWLEDGMENTS This study was supported by the Russian Foundation for Basic Research (project 09-07-12016-ofi-m). REFERENCES 1. Psakhie S.G., Dmitriev A.I., Shilko E.V., et al. Method of movable cellular automata as a new trend in discrete computational mechanics. I. Theoretical description, Physical mesomechanics, 3, No.2, 515, 2000. (in Russian) 2. Psakhie S.G., Chertov M.A., Shilko E.V. Interpretation of the parameters of the method of movable cellular automata on the basis of continuum description, Physical mesomechanics, 3, No.3, 8992, 2000. (in Russian) 3. Walsh S.D.C., Tordesillas A.A. Thermomechanical approach to the development of micropolar constitutive models of granular media, Acta Mechanica, 167, No 3/4, 145169, 2004. 4. Cundall P.A., Strack O.D.L. A discrete numerical model for granular assemblies, Geotechnique, 29, No.1, 4765, 1979.
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A Bounding Box Search Algorithm for DEM Simulation

Laura E. Walizer and John F. Peters
US Army Engineer Research and Development Center, Vicksburg, MS
In Discrete Element Method (DEM) simulations, the most costly operation performed by the program in terms of CPU time is often the process of identifying which pairs of particles are potentially in contact. Program performance can especially be degraded when the relative size difference between the smallest and largest discrete elements is greater than a factor of 2 to 5. In this paper, the authors evaluate the performance of a related but simpler algorithm dubbed the bounding box search method. The bounding box method entails identifying all cells which any part of a target particle may occupy, listing the target particle as present in those cells, and searching for potential contacts over the same set of cells (the bounding box). To evaluate the performance of the bounding box algorithm, timed simulations were performed on systems with varying numbers of particles and particle size distributions.
Introduction
The struggle to reduce the computational cost of contact detection in DEM simulations has inspired the development of a whole range of potential solutions. While
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substantial progress has been made, the performance of many search algorithms still depends upon the size distribution of particles within the system, with performance degrading signicantly when the largest particles are more than 2 to 5 times the size of the smallest particles. This limitation has detrimental implications for the application of DEM to certain classes of problems, such as the study of granular media [1]. The objective of the work presented here was to develop and implement a contact algorithm that avoids performance degradation due to size distribution, while still being conceptually simple and easy to implement. The proposed algorithm has been dubbed the bounding box method. One of the simplest existing contact search algorithms is the basic spatial discretization algorithm (herein referred to as the basic search). In such an algorithm, the simulation space is discretized into cells of equal size. Each particle is then placed in a single cell based on the location of its center. A cell-based or particlebased search is then performed, during which the program will cycle through all cells (respectively, particles) in the system and look for potential contacts within the 27-cell volume dened by the given cell or particle. While the simplicity of such an algorithm has its advantages, it is subject to the requirement that all cells must be larger than the diameter of the largest particle in the system. Thus, it is vulnerable to performance degradation when particles in the simulated system are not of similar size. Two of the most recent solutions to the contact search problem include hierarchical or multi-grid methods [1, 2]. These methods could be considered descendants of the basic search algorithm as they discretize space into multiple cell spaces with different cell sizes. The bounding box algorithm described below is also closely related to this basic search algorithm. Therefore, a particle-based basic search algorithm was employed by the authors as a benchmark for evaluating the performance of the bounding box algorithm presented herein.
Methods and Results

By contrast to the basic search algorithm, the bounding box algorithm begins by listing a given particle as present in every cell any part of the particle touches. This placement is achieved by locating the particles center, then adding and subtracting the particle radius to determine the maximum and minimum bounds, respectively,
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in all dimensions. The particle is then added to the content list of all cells in the indicated range. The range of bounds in the three coordinate directions dene the so-called bounding box. Because it is not possible for two particles to be in contact if they do not occupy any cells in common, the bounding box also denes the volume of the contact search in the bounding box algorithm. This use of the bounding box to dene the search volume allows the cell size to be based on the diameter of the smallest particles, rather than the largest particles. To assess the effect of the distribution of particle sizes on algorithm performance, test systems were generated with three different particle size distributions. Systems with a bimodal size distribution consisted primarily of particles of the smallest size (98% of particles had a radius of 0.19) and some particles (2%) of the largest size (radius of 1.6), with very few particles (less than 1%) of any size inbetween. In systems with a Gaussian-like distribution, a majority of the particles (about 88%) had an intermediate radius of 0.79, particles with radii of 0.41 and 1.1 each accounted for approximately 10% of the system, and particles at the extreme ends of the size range (0.19 and 1.6 radii, respectively) each accounted for about 1% of the system. Systems with a uniform size distribution were comprised of equal proportions of all ve particle sizes. Simulated system sizes were also varied. Five different system sizes were used, with as few as 98 particles and as many as 56,000 particles. To ensure that the algorithm was thoroughly tested, timed simulation runs were performed for each unique combination of system size and particle size distribution. While examining the effect of system size and particle size distribution, simulations based on the basic search algorithm all discretized space into cubes with sides of length 2 (i.e., a cell size of 2), while simulations based on the bounding box method all used a cell size of 0.5. Also, because the bounding box approach allows the user more latitude in selecting a cell size, simulation runs were performed to examine the effect of selected cell size on runtime. A bimodally distributed system of 23,088 particles was used, and the cell size was varied for each run. Selected cell sizes ranged from 0.3 (slightly larger than the radius of the smallest particles) to 2 (the cell size used by the basic search algorithm). Total DEM runtime was recorded for all cases, and the runtime was normalized
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by dividing by the number of particles and by the number of simulation timesteps. The simulations were coded in FORTRAN 95 compiled using gcc, and run on a quad-core Mac Pro.
Figure 1: Runtime per particle per simulation timestep versus number of particles for diering distributions. Dashed lines represent runs performed using the basic search algorithm, and solid lines represent runs performed with the bounding box algorithm.
The results found for systems with varying system sizes and particle size distributions are presented in Figure 1. For the larger systems (of 10,000 to 20,000 particles or more), the greatest difference in performance between the basic and bounding box algorithms was found when simulating a bimodal distribution. The bounding box algorithm still outperformed the basic algorithm for large systems with Gaussian-like and uniform distributions, but the differences in runtime between the algorithms were smaller for these systems. In general, the runtime advantage of the bounding box algorithm decreased with decreasing system size, and for the smallest systems modeled, the performance of the bounding box algorithm degraded signicantly, particularly when modeling the bimodal distribution. This performance degradation is attributed to the extra operations required by the bounding box algorithm, such as computing the extents of bounding boxes, because the contribution of these operations to overall runtime is expected to be more signicant as system size decreases. When cell sizes were small (less than 0.5) runtimes increased with decreasing cell size primarily due to an increase in the amount of runtime dedicated to generSimulations of Discontinua Theory and Applications 72
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ating the cell occupancy lists. Occupancy list arrays for these systems also became larger (and therefore less memory efcient) with decreasing cell size. This was due to the fact that particles will be present in an increasing number of cells as cell sizes shrink relative to particle size.
Figure 2: Variation in runtime with respect to selected cell size for a system of 23000 particles with a bimodal type size distribution.
For large cell sizes (greater than 1) runtimes increased with increasing cell size. The average number of particles per cell increased from 4.5 to nearly 12, and this explains the increase in runtimes. However, the runtime leveled off around 6 106 seconds per particle per timestep as the cell sizes approached two. This runtime was far below the value of 3.7 105 seconds obtained for the same system using the basic search algorithm. This lower runtime for large cell-size appears to be due to the fact that a bounding box is never made up of more than eight cells, and it becomes increasingly likely that the bounding box has fewer cells as the cell size increases Therefore, a bounding box search will never scale at more than O(8mn) while a basic search always scales at O(27m n) for an n-particle system with an average of m particles per cell. The shortest runtimes were obtained with cell sizes between 0.5 (a little larger than the diameter of the smallest particle considered) and 1. The average number of particles per cell varied from 2.5 to 4.6 when cell sizes were in this range. These results suggest that, while care must be taken in selecting cell size, there is a relatively wide window of cell sizes (about 25% of the size range considered) that
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will yield similarly good performance. Overall, it is concluded that the algorithm performs best when cell sizes are between one and two times the diameter of the smallest particles in the system, and given the leveling off of runtimes, it is otherwise preferable to select too large a cell size than too small a cell size, for reasons of both runtime and efcient memory use.
Conclusion
Some subtletiessuch as the avoidance of double-counting contactsexist in the implementation of this algorithm as part of a simulation code. However, enough simplicity remains that conversion of a basic algorithm to a bounding box algorithm is quite straightforward, and a modularly designed simulation can contain both algorithms as distinct subroutines. Implementation in parallel should also be possible. The improvements in runtime relative to the basic search algorithm and the simplicity of the bounding box algorithm suggest that the bounding box method is an efcient and effective way to improve DEM simulation performance.
Acknowledgements
Any use of trade names is for descriptive purposes only and does not imply endorsement by the U.S. Government. Permission to publish was granted by Director, Geotechnical and Structures Laboratory, US Army Engineer Research and Development Center. Approved for public release; distribution is unlimited.
References
[1] J. F. Peters, R. Kala, and R. S. Maier, A hierarchical search algorithm for discrete element method of greatly differing particle sizes, Engineering Computations, vol. 26, no. 6, pp. 621634, 2009. [2] K. He, S. Dong, and Z. Zhou, Multigrid contact detection method, Physical Review E, vol. 75, p. 036710, 2007.
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A SPRING SYSTEM EQUIVALENT TO CONTINUUM MODEL

Shihai Li, Yanan Zhang, Chun Feng
Institute of Mechanics, Chinese Academy of Sciences
A new approach used to calculate the inner force and describe the crack of element is demonstrated, with the name spring element method (SEM). According to the energy functional and element stiffness matrix, four types of springs have been gotten, with the name normal spring, tangential spring, Poisson spring and pure shear spring respectively. Based on thus springs above-mentioned, crack model is presented, and two failure types (inner failure and boundary failure) of element are given under tensile and shear criteria. Some numerical cases are shown to demonstrate the validity and accuracy of SEM.
INTRODUCTION Due to the development of numerical techniques, mechanical behavior of material in continuous and discontinuous state could be simulated well. However, the numerical method used to simulate progressive failure process from continuous state to discontinuous state is still at the exploratory stage. It could be generally classified into two branches about the method from continuum to discontinuum: a block-based method and a particle-based method. Block-based method is ground on the macroscopic mechanics, with the main task to describe the microscopic crack rationally and precisely. Some skills have been developed to simulate the initiation and extension of the crack, such as non-
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continuous function, mathematical spring, block cut, grid regeneration, and so on.
[1-3]
Particle-based method is ground on the statistical mechanics, with the major study emphasis on the equivalence between the particle aggregate and continuum structure. Particle fluid code (PFC), lattice model (LM), particle model (PM), hybrid lattice particle model (HLPM) and spring network (SN) are some prevalent methods based on statistical mechanics. [4-9] Block-based method has a good advantage to simulate the failure feature on engineering scale, but the formation mechanism of microscopic crack could not be well modeled. On the contrary, particle-based method is suitable for simulation the initiation and extension of micro-crack, but this approach could only simulate the problem on laboratory scale. So, it is important to find a combined method which combines the advantage of block-based method and particle-based method together. SPRING ELEMENT METHOD (SEM) (1) Spring stiffness A new method to construct the element stiffness matrix of three-node triangle according to a special system of springs is presented. For a triangle of any shape, the system includes six springs (Fig. 1).
3(c,w) Syy Sxyp Sxys 1(0,0) 2(b,0) Syx
y
x
Sxx
Sxy
Fig 1. Spring system of three-node triangular element
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They are the normal spring Sxx and the tangential spring Sxy along the bottom edge, the normal spring Syy and the tangential spring Syx along the height direction of the bottom edge, and a Poisson spring Sxyp related to the first two normal springs and a pure shear spring Sxys related to the first two tangential springs. The normal and the tangential springs follow Hooke's Law, and the direction of force is opposite to the relative displacement; the direction of the Poisson spring force is vertical to the one of displacement increment, and the energy of the Poisson spring is the product of its force and its vertical displacement; The energy of the pure shear spring is the product of shear stress and its vertical shear displacement. The energy functional of the spring system is established (shown in equation 1). Where, Kii , Kij , Kijp , Kijs (i, j x, y; i j ) are the spring stiffness; uij are the deformation of Sij (i, j x, y ) ; ui , vi (i 1, 2,3) are displacements of element nodes; m c / b and n 1 m are coefficients.
By the variation of energy functional to coordinates of each node, the relationship between force of each node and all the relative displacements of nodes is presented, thus, the stiffness matrix in the form of spring stiffness is obtained (shown in equation 2). Compared with the finite element stiffness matrix, the spring stiffness can be represented by the elastic modulus, Poisson's ratio and geometry parameters (shown in equation 3), and the relationship between spring stiffness is shown in equation 4.
z 4(x4,y4,h)
1(0,0,0) Sxx Syy x
Szz y 3(c,w,0)
2(b,0,0)
Fig 2. Spring system of four-node tetrahedral element
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By extending the similar method to three-dimensional problem, the spring system of a tetrahedral element is built. Fig 2 shows the structure of a tetrahedral spring system. According to the corresponding energy functional and element stiffness matrix, the spring stiffness can be obtained by the same way (shown in equation 5).
1 1 1 1 2 2 2 2 K xx u xx K xy uxy K yy u yy K yx u yx K pxy uxx u yy K sxy uxy u yx 2 2 2 2
u xx u2 u1 ; u xy v2 v1 ; u yy v3 mv2 nv1; u yx u3 mu2 nu1.
(1)
Fx Kxx nnKyx n Kxyp Kxys Kxx nmKyx mKxyp nKxys nKyx Kxyp u1 1 F 1y n Kxyp Kxys nnKyy Kxy nKxyp mKxys nmKyy Kxy Kxys nKyy v1 F2x K nmK nK mK Kxx mmKyx mKxyp mKxys mKyx Kxyp u2 yx xyp xys xx F2y mKxyp nKxys nmKyy Kxy mKxyp mKxys mmKyy Kyx Kxys mKyy v2 F3x 0 u3 Kxys mKyx Kxys Kyx nKyx F3y Kxyp 0 nKyy Kxyp mKyy Kyy v3
K xx K yx Et w 2 1 2 b Et b 4 1 w K yy K xyp Et b 2 1 2 w K xy K xys Et w 4 1 b
(2)
Et 2 1 2
Et . 4 1
(3)
Kxy
K ii
1 K K
2
xx
yx
1 K
2
yy
Kxyp Kxx KyyKxys
1
2
Kxx Kyy .
(4)
L j Lk E (1 ) (i, j , k x, y , z; i j k ; Lx b, Ly w, Lz h) (1 )(1 2 ) 6 Li
2(1 ) Kij Kii ; Kijp Kii K jj ; Kijs Kij K ji .(i, j x, y, z; i j ) (1 2 )
(5)
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(2) Calculation method Suppose node displacements are known, the deformation of spring could be obtained by equation 1, and then element strain could be gotten (shown in equation 6). The function to calculate the element stress is shown in equation 7, Where, G, is the shear modulus and lame constant of material, kk is the normal strain component and ij is the Kroenecker delta symbol. Spring force is shown in equation 8, and node force is shown in equation 9. In the two-dimensional case, the spring area could be gotten by equation 10, and where t is element thickness. Actually, Sii also could be gotten by Fij /ij (i, j x, y;i j) . There is a simple expression about spring area, which only relates to the element geometry. Once the element is given, element strain could be gotten by equation 11, which is a unique way for SEM to solve the strain.
x u xx / b y u yy / w xy u xy / b u yx / w
(6) (7) (8) (9) (10) (11)
ij 2G ij kk ij (i, j x, y)
Fii Kii uii Kijp u jj

Fi Fxi Fyin 1
Fij Kij uij Kijs u ji (i, j x, y; i j )

Fi Fyi (i x, y) 3
F2i Fxi Fyim
S xx Fxx / x wt / 2
S yy Fyy / y bt / 2
x F xx / S xx
y F yy / S yy
xy F xy / S xx ( or F yx / S yy )
The calculation method of 3-D element is similar to 2-Ds. The deformation of spring is given by equation 12. Where, m and n are the interpolation coefficient of the bottom edge, and N1, N2 and N3 are the interpolation coefficient of the underside. Element strain, spring force, node force, spring area and element stress are shown in equation 13-17 respectively. To calculate the inner force of elements, just the stiffness of the normal spring Kii are need (Kxx, Kyy are need in twodimensional case and Kxx, Kyy, Kzz are need in three-dimensional case).
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uxi ui2 ui1
uyi ui3 mui2 nui1
uzi ui4 Nui1 Nui2 Nui3 (i x, y, z;ux u,uy v,uz w) 1 2 3
(12) (13) (14) (15) (16) (17)
i uii / Li
ij uij / Li uij / Lj (i, j x, y, z;i j; Lx b, Ly w, Lz h)

Fji K jiu ji Kijsuij (i, j, k x, y, z;i j k)
Fii Kiiuii Kijpu jj Kikpukk
Fi F FyinF N1 1 xi zi
S xx Fxx / x wh / 6
Fi F FyimF N2 2 xi zi
Fi Fyi F N3 3 zi
Fi F (i x, y, z) 4 zi
S yy Fyy / y bh / 6
S zz Fzz / z bw / 6
x Fxx / Sxx y Fyy / Syy z Fzz / Szz xy Fxy / Sxx xz Fxz / Sxx yz Fyz / Syy
CHARACTERISTICS OF SEM
There are two characteristics about SEM: independence of element strain and high efficiency of computation. (1) Independence of element strain To prove that the element strain is independent of the coordinate system of spring system, two spring systems are given. One is b-w spring system and the other is B-W spring system. (shown in figure 3)
3 B
C
3 W
2
w 1 c b
x
y
2
1
x
Fig 3. Spring systems of different bottom edge
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Considering the relationship between B-W and b-w shown in the equation 18 and 19, the principal strain of two spring systems are expressed by node displacements of b-w spring system, and the results are same.
Bw/sin
Bc/cos W bsin
BC bcos
(18) (19)
ui ui cos vi sin; vi ui sin vi cos(i 1,2,3)

(2) High efficiency of computation
The time cost of SEM and FEM based on GPU are compared (table 1). SEM owns high computational efficiency compared with FEM. Method Two-dimensional Three-dimensional FEM SEM 456 360 1920 1032
Table 1. Comparison of time cost about SEM and FEM

CRACK MODEL
Crack model based on tensile criteria and shear criteria is demonstrated and two crack types named inner crack and boundary crack are presented. When inner crack takes place, a new block will turn up. When boundary crack occurs, a new node will appear. (1) Tensile crack model There are two types for tensile crack models: they are (a) crack occurs inside of element and (b) crack occurs along the edge. (Shown in figure 4)
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a Fig 4. Tensile crack models (2) Shear crack model
There are five types for shear crack model: they are (a) two directions of crack inside of element through the same node, (b) two directions of crack inside of element through different nodes, (c) two directions of crack along two edges (d) one direction inside of element and one direction along the edge through the same node, and (e) one direction inside of element and one direction along the edge through different nodes. (Shown in figure 5)
d Fig 5. Shear crack models
NONLINEAR CONSTITUTIVE EQUATION IN SEM
SEM is based on the discrete springs, so the nonlinear constitutive equation could be easily realized. One type of nonlinear coefficients associated with the strain of spring is introduced (shown in equation 20), where, L1 is the length of the bottom edge and L2 is the height. According to this type of nonlinear coefficients,
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spring force could be calculated (shown in equation 21). The comparison between numerical and theoretical result of uniaxial compression test is shown in figure 6.
Cij 1 e
104 xij / Li
(i x, y; j x, y )
Fij Cij K ij uij C ji K ijs u ji (i , j x , y ; i j )
1.0x106 Numerical result Theoretical result
(20) (21)
Fii Cii K ii uii C jj K ijp u jj

1.2x106 Axial Stress(Pa) 9.0x105 6.0x105 3.0x105 0.0 0.0 3.0x10 Axial Strain
-5
Axial Stress(Pa)
-5
Numerical result Theoretical result Non-linear elasticity
8.0x105 Linear elasticity 6.0x105 4.0x105 2.0x105 0.0
6.0x10
0.0
1.0x10-5 2.0x10-5 Axial Strain
3.0x10-5
Fig 6. Comparison between numerical and theoretical result

DYNAMIC FAILURE OF CONCRETE WALL SIMULATED BY SEM
The thickness of concrete wall is 0.5 m, with the top and bottom constrained. A steel ball with diameter 0.1 m impacts the wall with the speed 100 m/s. The progressive failure of concrete wall is shown in figure 7.
Fig 7. Progressive failure of concrete wall
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CONCLUSION
Spring element method (SEM) is an approach to calculate the inner force of element, with simple relationship between spring force and spring displacement. In the calculation of triangle and tetrahedral element, the result of SEM and FEM are the same. The feature that strain is unrelated with coordinate systems of spring system is demonstrated. The computational efficiency of SEM is 30% higher than FEM, and non-linear calculation could be easily realized In SEM. Based on the inner force calculated by SEM, crack model is presented, and two failure types of element are given. Some examples are presented to show the validity and accuracy of SEM, while further study would be needed on the failure model and crack direction.
ACKNOWLEDGMENTS
Gratefully acknowledge the support from National Natural Science Foundation of China (Grant No.10632100), the project of important research aspect of Chinese Academy of Sciences (KJCXZ-YW-LDI) and the Chinese National 973 Project (Grant No.2010CB731500).
REFERENCES
1. A Munjiza, The combined finite-discrete element method. John Wiley and Sons, Ltd. 2004. 2. Shi GH. Three-dimensional discontinuous deformation analysis. Proceedings of the 38th US rock mechanics symposium, Washington DC, 2001: 1421-1427. 3. T Belytschko, D Organ, C Gerlach. Element-Free Galerkin Methods for Dynamic Fracture in Concrete. Comp. Methods Appl. Mech. Engrg. 2000, 187, 385-399. 4. CUNDALL P A, Strack D L. A discrete numerical model for granular assemblies. Geotechnique. 1979, 29(1): 147-165. 5. Ostoja-Starzewski. M. Lattice models in micromechanics, Appl. Mech. Rev., 2002, 55(1), 35-60.
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6. Wang, G., Ostoja-Starzewski, M., Particle modeling of dynamic fragmentation -I: theoretical considerations, Computational Materials Science, 2005, 33, 429-442. 7. G. Wang, A. Al-Ostaz, A.H.D. Cheng, P.R. Mantena. Hybrid lattice particle modeling: Theoretical considerations for a 2D elastic spring network for dynamic fracture simulations. Computational Materials Science, 2009, 44(4): 1126-1134. 8. J. E. Bolander Jr, S. Saito. Fracture analyses using spring networks with random geometry [J]. Engineering Fracture Mechanics. 1998, 61(5-6):569-591. 9. Norihiro Nakamura, Kenshiro Otsuki, Hiroyuki Nagahama. A spring-network model of fault-system evolution. Computer Methods in the Ge-sciences. 1996, 15: 343-358.
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RESOLVING THE INDETERMINACY OF VERTEXVERTEX CONTACT IN THE 2D DISCONTINUOUS DEFORMATION ANALYSIS

Zhiye Zhao, Huirong Bao
Nanyang Technological University, School of Civil & Environmental Engineering, Singapore
Many numerical simulation systems, either continuum-based or discontinuum-based, require contact analysis. In the 2D discontinuous deformation analysis (DDA), the contact reference edge for the vertex-edge contact is uniquely defined, while the contact reference edge for the vertex-vertex contact is indeterminate because of the discontinuity of the outer normal vector of the boundary at the vertex. The indeterminacy of the vertex-vertex contact will lead to an uncertainty in the numerical analysis. This paper aims to develop suitable approaches in dealing with the two types of indeterminacy in the DDA. For the first type of indeterminacy, it can be solved by an enhanced shortest path method which employed a temporary vertex-vertex contact spring. For the second type of indeterminacy, a complementary method is provided, which uses the trajectory of the vertex to find the entrance edge. A numerical example is used to verify the proposed vertex-vertex approach.
INTRODUCTION The two-dimensional discontinuous deformation analysis (DDA) method [1] provides a useful tool for investigating the kinematics of blocky rock masses. The DDA has drawn much attention in rock engineering applications recently due to
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its unique feature in dealing with rock mass discontinuity, and many developments have been carried out to validate and to improve its performance [2]. The vertex-vertex contact indeterminacy exists in many numerical methods and various approaches have been proposed to model the contact numerically [3-8]. In the 2D DDA, there are two types of indeterminacy in the vertex-vertex contact model. The first type of indeterminacy is referred as the genuine indeterminacy in this paper because it originates from a true vertex-vertex contact. When the trajectory of the hitting vertex of the contact pair passes its target vertex, the genuine indeterminacy will arise.
C A D A1 E A2 A
B A
d1
d2
(a)
(b)
(c)
Fig. 1 Working principle of the shortest path method: (a) quasi V-V contact case 1; (b) overlapped at the end of time interval; (c) quasi V-V contact case 2 The second type of indeterminacy is referred to as the pseudo indeterminacy in this paper because it is a phenomenon belonging to particular numerical modelling methods when dealing with the quasi vertex-vertex contact. In the DDA, a quasi vertex-vertex contact is finally transformed into a vertex-edge contact during the open-close iteration in the framework of the penalty method. And the contact fitness test is based on the geometry of overlapping at the end of the iteration. However, the information provided by the geometry of overlapping is insufficient for judging the entrance edge. For example, in Fig. 1b, Vertex A invaded into Vertex D at the end of the time step, but the overlapping information is insufficient to obtain the proper entrance edge, from which Vertex A enters the bottom
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block. The initial position could be one of the two cases shown in Fig. 1(a) and Fig. 1(c). The shortest path method, as shown in Fig. 1(b), determines the entrance edge based on the distance between Vertex A and the two edges of the other block. But such a method may result in a wrong entrance edge. SOLUTION TO THE GENUINE INDETERMINACY Since the vertex-vertex contact is unstable and will degenerate into a vertexedge contact instantly when the collision occurs, a temporary vertex-vertex contact spring is introduced to reflect this interaction process. The temporary vertexvertex contact spring will connect two vertexes like a hinge and will be removed right after the potential vertex-edge contact is determined at the end of that iteration. There are several open-close iterations in one time step and the adding-andremoving temporary vertex-vertex contact spring is done in the first cycle of the open-close iterations. Details about this method can be found in reference [9]. SOLUTION TO THE PSEUDO INDETERMINACY To solve the inaccuracy of the shortest path method, a complementary method is proposed here. Since every vertex has a trajectory during the time interval, the trajectory of the vertex must intersect with the boundary of the target block before invading into it. Therefore, by computing the intersection point, the entrance edge can be easily found. This method is suitable for any vertex-vertex contact which does not have any penetration at the start of the time step. If the trajectory happens to pass the vertex point of the target block, it becomes the first type of indeterminacy and the enhanced shortest path method can be used [9]. At the time instant that vertex P1 contacts edge P2P3, we have
(t ) 0 (1) Here, (t ) is the area of triangle PP2 P at time instant t. Solve Eq.(1) with re1 3 spect to t will obtain the time instant that the contact occurs. Eq.(1) is solved for both potential reference edges. It is necessary to test whether the time instant t is inside the time step and whether the intersection point lies on the edge instead of the extending line. After obtaining the proper entrance edge, the vertex-vertex
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contact is transformed into a vertex-edge contact and the open-close iteration will continue. A NUMERICAL EXAMPLE A two-block system under vertical body force is at rest at the beginning of the analysis (see Fig. 2). The bottom block is fixed at two points. At the initial position, there is a small gap between them, and the vertex of the upper block will land on the right edge of the bottom block when they are in contact The material properties for both blocks are as follows: mass density = 2.8103 kg/m3; Youngs Modulus = 50MPa, Poissons ratio = 0.25, body force fx = 0N and fy = -2.8105N. The allowed displacement ratio is 0.1, and the maximum time increment for each time step is 0.05s. It is assumed that there is no friction between the interfaces. In the first test, the time step is set as T = 0.05s and the penalty spring stiffness is 40 times the value of Youngs Modulus, i.e. p = 40E. The original DDA code produced a wrong result as shown in Fig. 3, whereas the new DDA code gives correct results as shown in Fig. 4. In the second test, the time step is the same as the first test and the penalty spring p= 80E, the original DDA code also gets the correct results as the new code (similar to Fig. 4). In the third test, the penalty spring p = 40E and the time step size is reduced to 0.025s, both DDA codes provide the same correct results.
1 1 0.02
0.1
4
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Fig. 2 Geometry of the numerical example (unit: m)
(a) step=0
(b) step=1
(c) step=2
(d) step=3
Fig. 3 results from the original DDA code (p=40E, T=0.05s)
(a) step=0
(b) step=1
(c) step=2
(d) step=3
Fig. 4 results from the new DDA code (p=40E, T=0.05s)
(a) step=0
(b) step=2
(c) step=4
(d) step=6
Fig. 5 results from the original DDA code (p=40E, T=0.025s) CONCLUSIONS A new approach to deal with the vertex-vertex contact is introduced in this paper. The shortest path method employed by the original DDA code is sensitive to
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the choice of the DDA analysis parameters, such as the contact spring stiffness and the time step. The proposed complementary method can resolve the pseudo indeterminacy of vertex-vertex contact in the context of 2D DDA, which has veeb validated by the numerical example. The new method can also be applied to the numerical manifold method and other penalty based contact model for resolving the indeterminacy of the vertex-vertex contact. REFERENCE 1. 2. 3. 4. 5. 6. 7. 8. 9. Shi G, Discontinuous deformation analysis - a new numerical model for the statics and dynamics of block systems, Ph.D. Thesis, 1988, University of California. MacLaughlin MM and Doolin DM, Review of validation of the discontinuous deformation analysis (DDA) method. International Journal for Numerical and Analytical Methods in Geomechanics, 2006. 30: p. 271-305. Oden JT and Pires EB, Algorithms and numerical results for finite element approximations of contact problems with non-classical friction laws. Computers & Structures, 1984. 19(1-2): p. 137-147. Chaudhary AB and Bathe K-J, A solution method for static and dynamic analysis of three-dimensional contact problems with friction. Computers & Structures, 1986. 24(6): p. 855-873. Krishnasamy J and Jakiela MJ, A method to resolve ambiguities in cornercorner interactions between polygons in the context of motion simulations. Engineering Computations, 1995. 12: p. 135-144. Kane C, Repetto EA, Ortiz M, and Marsden JE, Finite element analysis of nonsmooth contact. Computer Methods in Applied Mechanics and Engineering, 1999. 180(1-2): p. 1-26. Feng YT and Owen DRJ, A 2D polygon/polygon contact model: algorithmic aspects. Engineering Computations 2004. 21(2/3/4): p. 265-277. Cundall PA, UDEC 4.0 Manual - Theory and Background. 2004, ITASCA Consulting Group, Inc. Bao HR and Zhao ZY, An alternative scheme for the corner-corner contact in the two-dimensional Discontinuous Deformation Analysis. Advances in Engineering Software, 2010. 41(2): p. 206-212.
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LIGGGHTS A NEW OPEN SOURCE DISCRETE ELEMENT SIMULATION SOFTWARE

Christoph Kloss1,* and Christoph Goniva1
CD Lab on Particulate Flow Modelling, Johannes Kepler University Linz Altenbergerstr. 69, 4040 Linz *christoph.kloss@jku.at
In this work, we present the development of an open-source software for modeling granular material by means of the Discrete Element Method. LIGGGHTS stands for LAMMPS Improved for General Granular and Granular Heat Transfer Simulations and is based on LAMMPS (Large Atomic and Molecular Massively Parallel Simulator), a successful open source Molecular Dynamics code by Sandia National Laboratories for massively parallel computing on distributed memory machines. We give a brief overview of implemented models and features. Finally, we would like to focus on the simulation of coupled granular-fluid systems with the CFD-DEM approach.
INTRODUCTION The Discrete Element Method (DEM) is an emerging method to simulate the behaviour of granular materials. Open source codes represent an emerging alternative to existing commercial software. First, we will briefly present LAMMPS and summarize LAMMPS-related work. Then, we outline which steps have been taken to improve the granular models implemented in LAMMPS and illustrate the capabilities of LIGGGHTS with a few examples. Finally, we would like to focus on the simulation of coupled granular-fluid systems.
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THE MD CODE LAMMPS LAMMPS is an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. It is a classical molecular dynamics solver written in C++ providing potentials for soft materials (bio-molecules, polymers), solid-state materials (metals, semiconductors) and coarse-grained granular materials [1]. It can be used to model atoms or, more generically, as a parallel particle simulator at the atomic, meso, or continuum scale. LAMMPS runs on single processors or in parallel using message-passing techniques and a spatial-decomposition of the simulation domain. The code is well developed and supports a wide variety of models handling very large systems with good parallel efficiency. Its design allows for easy modification. Detailed descriptions can be found in the LAMMPS manual [24]. LAMMPS is distributed as an open source code under the terms of the GPL. To name just a few examples, LAMMPS includes models for peridynamics [2], a coupling interface to multibody software [3], and long-range electrostatics solvers [4]. LAMMPS also offers GPU support for simulation speed-up. For granular simulations, LAMMPS offers implementations for both linear (Hooke) and non-linear (Hertz) granular potentials along with efficient algorithms for detecting and calculating the pair-wise interaction forces. LAMMPS has been used to study avalanching flow [5-7], static granular packings [8-10], granular drainage [11-14], granular shear and its relation to constitutive modeling [15-19], and granular segregation [20]. LAMMPS also allows to overlay force fields, meaning that e.g. an electrostatic force field (with point charges and/or dipole moments) can be added to a granular potential easily. THE DEM CODE LIGGGHTS In this section, we would like to emphasize those models that have been improved or added in LIGGGHTS with respect to the implementations in LAMMPS, Movies of all this examples can be viewed on http://www.liggghts.com. Contact Law We have changed the implemented granular contact law to match the HertzMindlin and Linear Spring formulations published in [27] and [28]. Moreover, it should be easy now for users to implement their own customized contact model.
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Also, we added a macroscopic particle cohesion model described in [29]. Fig. 1. shows an example where this cohesion model is used.
Fig. 1. Loosely packed granular column in a cylinder falling under gravity, with and without macroscopic cohesion model. Left: Initial condition; Right: Result Implementation of Import and Handling of Complex Geometries.. Based on work of Kremmer and Favier [26], we implemented a method to import and handle complex wall geometry. Walls can be imported from STL CAD files. Possible wall styles are hookean or hertzian with optional friction, shear history effects and cohesion. In Fig. 2., a particle charging simulation is shown.
Fig. 2. Example showing charging of particles Implementation of a Moving Mesh Feature. Many applications in granular flow require the constraining wall to be moving. We added such a feature, which is illustrated in Fig. 3., where a bucket is digging into a bed of particles.
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Fig. 3. Example showing granular charging simulation Implementation of a simple Granular Heat Transfer Model A simple model for heat conduction described in [30] has been implemented. An example is shown in Fig. 4. It is noted that heat convection often plays an important role in heat transfer of granular media, but an accurately modeling convection requires a coupled CFD-DEM approach as outlined in the next section.
Fig. 4. Example showing conductive heat transfer. Left: t=0, Temperature gradient is imposed on a particle bed, Right: t=t1, Temperature is leveling gradually
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CFD-DEM COUPLING The CFD-DEM Method is an emerging method to model coupled fluidgranular systems (e.g. [22],[23]). The motion of the particles is resolved with DEM, and the CFD method is used to calculate the fluid flow. The authors have already managed to implement a CFD-DEM approach using two commercial software packages, which has been presented along with validation [21]. Here, we want to focus on a fluidized bed application example that has been calculated coupling LAMMPS to the OpenFOAM environment [25].
Fig. 2: Geometry and velocity boundary condition and initial particle positions.
Fig. 3: Simulation result for the fluidized bed test case. Gas velocity contour in a y-normal plane, particles coloured by particle velocity.
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As discussed in this paper, the authors have succeeded allowing parallel computation on distributed memory machines. A simple test case is presented here. The granular and fluid flow of a small partly fluidized bed is calculated. On the lower side of the box there is a non uniform, fixed value velocity inlet. Geometry and boundary conditions are shown in Fig. 2. As it can be seen from Fig. 3, the particles are accelerated by the gas flow and a region where the particles are fluidized is formed above the velocity inlet. CONCLUSION We presented an emerging open source DEM framework called LIGGGHTS for the simulation of granular materials by means of the Discrete Element Method, which is based on LAMMPS, a very established software for performing Molecular Dynamics (MD) simulations. We showed some examples of the features LIGGHTS offers for the simulation of granular materials by presenting some examples. It is planned to release a final version of LIGGGHTS in the coming months on http://www.liggghts.com. Finally, we outlined a promising open source approach to simulate coupled granular-fluid systems massively parallel on distributed memory machines. REFERENCES
1. 2. 3. 4. S. J. Plimpton, Fast Parallel Algorithms for Short-Range Molecular Dynamics, J. Comp. Phys., 117, 1-19, 1995 M. L. Parks, R. B. Lehoucq, S. J. Plimpton, S. A. Silling, Implementing peridynamics within a molecular dynamics code, Comp Phys Comm., 179, 777-783, 2008 R. M. Mukherjee, P. S. Crozier, S. J. Plimpton, K. S. Anderson, Substructured molecular dynamics using multibody dynamics algorithms, Intl. J. of Non-Linear Mechanics, 43, 1045-1055, 2008 S. J. Plimpton, R. Pollock, M. Stevens, K. S. Anderson, Particle-Mesh Ewald and rRESPA for Parallel Molecular Dynamics Simulations, Proc. of the Eighth SIAM Conference on Parallel Processing for Scientific Computing, Minneapolis, MN, March 1997 L. E. Silbert, D. Ertas, G. S. Grest, T. C. Halsey, D. Levine, S. J. Plimpton, Granular flow down an inclined plane: Bagnold scaling and rheology, Phys Rev E, 64, 051302, 2001 L. E. Silbert, J. W. Landry, and G. S. Grest, Granular flow down a rough inclined plane: Transition between thin and thick piles, Phys. Fluids, 15, 1, 2003 R. Brewster, G. S. Grest, J. W. Landry, and A. J. Levine: Plug flow and the breakdown of Bagnold scaling in cohesive granular flows, Phys. Rev. E, 72, 061301, 2005 L. E. Silbert, D. Ertas, G. S. Grest, T. C. Halsey, and D. Levine, Geometry of frictionless and frictional sphere packings, Phys. Rev. E, 65, 031304, 2002 L. E. Silbert, G. S. Grest, and J. W. Landry, Statistics of the contact network in frictional and frictionless granular packings, Phys. Rev. E, 66, 061303, 2002
5. 6. 7. 8. 9.
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10. J. W. Landry, G. S. Grest, L. E. Silbert, and S. J. Plimpton, Confined granular packings: Structure, stress, and forces, Phys. Rev. E, 67, 041303, 2003 11. H. P. Zhu and A. B. Yu, Steady-state granular flow in a three-dimensional cylindrical hopper with flat bottom: microscopic analysis, J. Phys. D, 37, 1497, 2004 12. C. H. Rycroft, M. Z. Bazant, G. S. Grest, and J. W. Landry, Dynamics of random packings in granular flow, Phys. Rev. E, 73, 051306, 2006 13. C. H. Rycroft, G. S. Grest, J. W. Landry, and M. Z. Bazant, Analysis of granular flow in a pebble-bed nuclear reactor, Phys. Rev. E, 74, 021306, 2006. 14. J. W. Landry, G. S. Grest, S. J. Plimpton, Discrete element simulations of stress distributions in silos: Crossover from two to three dimensions, Powder Technology, 139, 233-239, 2004 15. X. Cheng, J. B. Lechman, A. Fernandez-Barbero, G. S. Grest, H. M. Jaeger, G. S. Karczmar, M. E. Mobius, and S. R. Nagel, Three-Dimensional Shear in Granular Flow, Phys. Rev. Lett., 96, 038001, 2006 16. K. Kamrin, C. H. Rycroft, and M. Z. Bazant, The stochastic flow rule: a multi-scale model for granular plasticity, Model. Simul. Mater. Sci. Eng., 15, 449, 2007 17. M. Depken, J. B. Lechman, M. van Hecke, W. van Saarloos, and G. S. Grest, Stresses in smooth flows of dense granular media, Europhys. Lett., 78, 58001, 2007 18. C. H. Rycroft, K. Kamrin, and M. Z. Bazant, Assessing continuum postulates in simulations of granular flow, J. Mech. Phys. Solids, 57, 828, 2009 19. L. E. Silbert, G. S. Grest, S. J. Plimpton, D. Levine: Boundary effects and self-organization in dense granular flows, Physics of Fluids, 14, 2637-2646, 2002 20. J. Sun, F. Battaglia, and S. Subramaniam, Dynamics and structures of segregation in a dense, vibrating granular bed, Phys. Rev. E, 74, 061307, 2006 21. C. Kloss,C. Goniva, G. Aichinger, S. Pirker, Comprehensive DEM-DPM-CFD simulations: Model synthesis, experimental validation and scalability, Proc. Seventh International Conference on CFD in the Minerals and Process Industries, CSIRO, Melbourne, Australia, December 9-11, 2009 22. Zhu, H.P., Zhou, Z.Y, Yang, R.Y. and Yu, A.B., (2007), Discrete particle simulation of particulate systems: Theoretical Developments, Chemical Engineering Science, 62, pp. 3378-3396 23. Zhu, H.P., Zhou, Z.Y, Yang, R.Y. and Yu, A.B., (2008), Discrete particle simulation of particulate systems: A review of major applications and findings, Chemical Engineering Science, 63, pp. 5728-5770 24. Steve Plimpton et. al., LAMMPS User Manual, Sandia National Laboratories, Albuquerque, USA, available online at: http://lammps.sandia.gov/doc/Manual.html, 25. C. Goniva, C. Kloss, S. Pirker, Towards fast parallel CFD-DEM: An Open-Source Perspective, Proc. Open Source CFD International Conference, Barcelona, November 12-13, 2009 26. M. Kremmer, J. F. Favier, A method for representing boundaries in discrete element modelling - part I: Geometry and contact detection, Int. J. for Num.l Meth. Eng., 51 (12), 1407 1421, 2001 27. Y. Tsuji, T. Tanaka and T. Ishida, Lagrangian numerical simulation of plug flow of cohesionless particles in a horizontal pipe, Powder Technology, 71, 239-250, 1992 28. A. Di Renzo, F. P.Di Maio, Comparison of contact-force models for the simulation of collisions in DEM-based granular flow codes, Chemical Engineering Science, 59, 525 541, 2004 29. N. Mitarai, F. Nori, Wet granular materials, Advances in Physics, 55, 1-45, 2006 30. B. Chaudhuri et al, Modeling of heat transfer in granular flow in rotating vessels, Chem. Eng. Sci., 61, 6348 6360, 2006
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2 COUPLED SOLUTIONS
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DISCRETE THERMAL ELEMENT MODELLING OF HEAT CONDUCTION IN SPHERICAL PARTICLE SYSTEMS

Y. T. Feng, C. F. Li, K. Han, D.R.J. Owen
Civil and Computational Engineering Centre, Swansea University, UK
Abstract: This paper is the further development of the discrete thermal element method (DTEM) [1], for the effective modeling of heat conduction in spherical particle systems. In essence, the temperature distribution in each particle is not assumed isothermal and the actual distribution can be evaluated. The whole development is analogy to the 2D case [1]. Consider a 3D spherical domain of radius R in a particle assembly and in thermal contact with n neighboring spheres. Assume the spherical particle has an isotropic thermal conductivity and is subjected to a prescribed heat flux (Neumann) boundary condition outside the contact zones. Establish a local coordinate system with the origin set at the centre of the domain. Then the temperature distribution on the surface can be expressed by a boundary integral in terms of a Green function and the heat flux function on the surface. By further assuming a flux distribution function over each thermal contact zone, a linear algebraic system of thermal conductivity equations for each particle can be derived in terms of the average temperatures and the resultant fluxes at the contact zones with its neighboring particles. Thus each particle is treated as an individual element with the number of (temperature) unknowns equal to the number of particles that it is in contact with. The element thermal conductivity matrix can, in principle, be evaluated and is entirely
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dependent on the characteristics of the contact zones. This resulting element shares the same form and properties with its conventional thermal finite element counterpart. The computational challenges, in comparison with the 2D formulation, lie in the effective and accurate evaluation a triple integral. Various numerical integration quadratures have to be employed to achieve the goal. The numerical evaluations reveal that for a similar contact angle [1] as in a 2D case, the average temperature of the zone is much closer to the average temperature of the whole sphere. In addition, similar to the 2D case [2], the element thermal conductivity matrix can be simplified so that the formulation can readily be used to handle transient heat transfer problems. Numerical results are provided to assess the accuracy and effectiveness of the methodology developed.
REFERENCES 1. Y. T. Feng, K. Han, C.F. Li and D. R. J. Owen. Discrete Thermal Element Modelling of Heat Conduction in Particle Systems: Basic Formulations. Journal of Computational Physics. 227(10): 5072-5089, 2008. 2. Y. T. Feng, K. Han & D.R.J. Owen, Discrete thermal element modelling of heat conduction in particle systems: Pipe-network model and transient analysis, Powder Technology, 193(3), 248-256, 2009.
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IMPLEMENTATION OF COMBINED SINGLE AND SMEARED CRACK MODEL IN 3D COMBINED FINITE-DISCRETE ELEMENT ANALYSIS
Zhou Lei1, Mengyan Zang2, Antonio Munjiza1
1 2
Department of Engineering, Queen Mary, University of London
School of Mechanical & Automotive Engineering, South China University of Technology
Large-scale combined finite-discrete element simulations involve a large number of separate bodies that interact with each other and in general deform and fracture. In this context, the so-called combined single and smeared crack model, which is based on actual representation of experimental stress-strain curves, was proposed and successfully implemented into a general purpose two-dimension (2D) combined finite-discrete element code in the last decade. In this paper, the combined single and smeared crack model is extended into threedimension (3D) in the context of the combined finite-discrete element method. The validation of such extension is illustrated through a numerical example.
INTRODUCTION The combined finite-discrete element method, which merges the finite element-based analysis of continua with discrete element-based transient dynamics, contact detection, and contact interaction solutions, has already proven its efficiency and reliability as a computational tool to solve the problems involving transient dynamics of systems in which deformation and contact play an important
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role. Now, this approach is a fast developing area of computational mechanics of discontinua involving researchers and engineers from various disciplines [1]. One of the key advantages of the combined finite-discrete element method is capable of simulating large-scale multi-fracture problems. The robust fracture algorithm called combined single and smeared crack model was proposed for such problems by Munjiza [2-3]. However, the combined single and smeared crack model was aimed at mode I loaded cracks only in its original form and it has been implemented in 2D. In this work, the combined single and smeared crack model is extended into three-dimension and is implemented into a general purpose three-dimension combined finite-discrete element code Y3D. The 3D FEMDEM code, which contains usual features of the finite element method, has the full capability for contact detection and contact interaction. In the remainder of the paper, algorithmic issues concerning the combined single and smeared crack model in the context of the 3D combined finite-discrete element method are presented together with a numerical example. COMBINED SINGLE AND SMEARED CRACK MODEL IN 3D The combined single and smeared crack model is based on actual representation of experimental stress-strain curves. It divides the stress-strain curves into two parts: the strain-hardening part and the strain-softening part [1-3]. In the strain-hardening part, no failure occurs in the material and the standard continuum constitutive law dominates the system performance; while in the strain-softening part, a single-crack model is used and the bonding stresses are taken to be a function of the separation vector . At any point on the surfaces of a crack, the separation vector can be divided into two components, = nn + tt (1)
where n and t are the unit vectors in the normal and tangential direction of the surface at such a point, n and t are the magnitudes of the components of , respectively.
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Accordingly, the traction vector p in the strain-softening stage are divided into two components in the direction of n and t, p = n + t (2)
where, and are the normal and tangential stresses, and can be calculated by
zf t zfs
(3) (4)
here, ft and fs are the tensile and shear strength of material. z is a heuristic parameter depended both on the material and the seperation components [1-3],
a b 1 D ( a cb /(( a b )(1 a b ))) c z 1 e a(1 D) b(1 D) ab
(5)
where a, b, c are material parameters chosen to fit a particular experimental curve, and D is therefore parameter calculated through the separation components
D n t cn ct
2 2
(6)
here, cn and ct are the normalized crack opening and sliding displacements determined by the energy release rate Gf and the strengths. In the above equation, D 1 means that the material is failure and no resistance exists; to represent such a truth, D is thereof set to 1 as long as D 1, thus z as well as and are zero. In actual implementation, the cracks are assumed to coincide with the finite element boundary (surfaces in 3D); the separation of adjacent element surfaces is assumed in advance through the topology of the finite elements. A so-called joint element in the context of the combined finite-discrete element method is inserted in advance between two adjacent elements to connect those two originally adjacent elements. Thus no two original finite elements share any nodes at the beginning of calculation-the continuity between elements is enforced through the penalty function method [1-3].
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NUMERICAL EXAMPLE
In this section, a relatively simple example is shown to demonstrate the implemented fracture model. As shown in Fig 1, a beam is supported by 3 supports moving in opposite directions (in direction y) with constant velocity of 0.1 m/s. The material properties of the beam are: Youngs modulus E = 26 GPa, Positions ratio v = 0.18, density = 2340 kg/m3, tensile strength ft = 3.15 MPa, and strain energy release rate Gf = 10 N/m. To constrain the cracks to be the mode I type, the shear strength of beam is set large enough. The displacements of the nodes, the initional positions of which are at points A and B in Fig 1, are taken into consideration. In Fig 2(a), the displacement of all 8 nodes at point A are the same, which represents that the continuity between finite elements is enforced through the penalty function method; while Fig 2(b) shows that the material at point B undergoes both the strain-hardening stage (before 0.62 ms) and strain-softening stage (from 0.62 ms until to failure). Through the postprocesser, the total progressive collapse of the beam is observed. It presents that the first crack appears at the bottom midspan point and propagates towards the top until the beam eventually breaks into two. The process satisfies well with that simulated by the 2D combined finite-discrete element code Y2D [2], and the fracture pattern at some moment is shown in Fig 3.
Fig 1. Diagram and initial finite element mesh of the simply supported beam.
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(a) Point A
(b) Point B
Fig 2. Displacements of the nodes at point A and B.
Fig 3. Fracture pattern at some moment.

CONCLUSION
The combined single and smeared crack model is extended into threedimension and implemented into a general purpose 3D combined finite-discrete element code Y3D. The extension enables both single and multiple cracks to be modelled in 3D by using Y3D. Thus it is promising to use the 3D model to analyze progressive fracturing and fragmentation involving a large number of cracks. However, the numerical examples with more complex load conditions should be tested, and the influence of the parameters such as the penalty factor on the analysis results should be studied in our future work.
ACKNOWLEDGMENTS
Zhou Lei would like to acknowledge the support from the State Scholarship Fund of China (File No. 2009615030), with the help of which, he has the oppor-
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tunity to pursue his study under the supervision of Professor A. Munjiza in Great Britain as a joint PhD student. Zhou Lei is on leave from the School of Mechanical & Automotive Engineering, South China University of Technology.
REFERENCES
1. A. Munjiza, The combined finite-discrete element method, Wiley, 2004. 2. A. Munjiza, K.R.F. Andrews, J.K. White, Combined single and smeared crack model in combined finite-discrete element analysis, International journal for numerical methods in engineering, Volume 44, No.1, 41-57, 1999. 3. A. Munjiza, N.W.M. John, Mesh size sensitivity of the combined FEM/DEM fracture and fragmentation algorithms, Engineering fracture mechanics, Volume 69, No.2, 281-295, 2002.
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MODELLING OF REACTING DISCRETE PARTICLES IN CONTINUOUS FLUID FLOW: AN ENERGY TECHNOLOGY PERSPECTIVE
H. Kruggel-Emden1, S. Wirtz1, V. Scherer1, A. Munjiza2
1: Department of Mechanical Engineering, Ruhr-University Bochum, Universitaetsstrasse 150, 44801 Bochum, Germany 2: Department of Engineering, Queen Mary, University of London, Mile End Road, E1 4NS, London, UK
Energy Technology is an engineering discipline dedicated to the efficient, environmental friendly and safe provision of final energy to the end user. This involves a broad range of processes which often have in common that they occur at high temperatures and involve reacting particle/gas systems. Modeling of these systems is important to gain insight into details of the processes and for the improvement of machinery and process conditions. Among other methods discrete element approaches play an important role.
INTRODUCTION Energy Technology and Energy Process Engineering are a conglomerate of different engineering disciplines dealing with the safe, efficient, economic and environmental friendly energy production, transformation, transport, storage and usage of various forms of energy. Nature provides different forms of primary energy in the form of fossil (coal, oil, natural gas), nuclear (uranium) and renewable sources (wind, hydro, solar, bio
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mass, waste). Only part of the primary energy sources can be utilized directly. Most have to be processed into e.g. coke, briquettes, fuel oil, gasoline, electricity or heating and passed in this form to consumers; the involved transformation processes are usually of complex nature. For the current century studies predict a population growth from the current 6.5 to 9.2 billion people in the year 2050. Despite increasing energy efficiency this will lead to a significant growth in energy consumption. Currently 80% of the world's primary energy demand is covered by fossil fuels like coal, oil and natural gas [1]. The combustion of fossil fuels leads to carbon dioxide emissions which are released into the atmosphere and accumulate there. This process enhances the natural greenhouse effect and leads to a hazardous warming of the climate [2]. Many scientific studies therefore come to the conclusion that a prompt reduction of green house gas emissions especially from the most dominant sources like power generation and other industrial processes is essential [2]. On the background of a growing world population and rising energy consumption it is essential to enhance energy efficiency and to expand the use of non-fossil energy sources. At the same time as part of the climate issue, a significant reduction of carbon dioxide emissions is required. This can be achieved through the application of carbon dioxide capture technologies for fossil fuels, but in addition an expansion of the use of renewable energy is required. Among renewable nonfossil fuels biomass and waste are favorable options, as they are available in considerable amounts, storable, and embeddable in the existing energy supply chains. To meet the highlighted challenges the development and improvement of process conditions as well as the scale up of energy utilization processes today must and can rely on numerical simulations. In stationary energy conversion high temperature particle/gas systems are predominant. Systems vary strongly in system size, particle sizes, particle/gas ratio and the way of agitation. Conditions range from dilute regimes as encountered for coal dust firing up to densely packed systems as found in moving bed equipment. In the following a review of possible simulation approaches is given for the relevant system conditions and advantages and disadvantages are briefly discussed.
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ENERGY CONVERSION SYSTEMS The provision of usable end energy to the user nearly always requires a sequence of dedicated conversion steps. In the context of fossil fuels an associated combustion process requires high temperatures and large mass and energy fluxes. Pulverized Thermal Conversion. For pulverized thermal conversion the solid fuel has to be ground into very small particles before being ignited and burnt in the boiler. The modeling of the associated processes can be performed in the Euler/Lagrangian framework, slightly extending the single phase, time averaged Navier-Stokes equations. Since the volume fraction of the particle phase is usually very low the particle/particle interactions may be neglected. Gas/particle and particle/gas momentum, heat and mass transfer are represented through submodels defining corresponding fluxes among the phases considered. Simulations of the steady state situation, considering a statistically adequate number of representative particle tracks are usually sufficient for technical purposes. As an example, the particle tracks and temperatures from a boiler simulation are shown in figure 1a. Euler/Lagrange frameworks have been extensively applied to pulverized coal combustion [3,4] and full scale boilers. Special attention in this context gained the reduction of pollutants in low NOx-combustion systems [5]. A cofiring of up to 20% biomass (by energy) in conventional boilers is possible resulting in significant carbon dioxide emission reductions. Numerical studies investigated bio mass co-firing and sole biomass combustion with special focus on applicable sub-models [6].
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& mair exhaust

Airreactor Buffer
& m s , ox
Fuelreactor
& m fuel exhaust
& ms ,red
a)
& & ms ,buf & ms , feed m fuel b) Fig 1. (a) Predicted tracks of particles in a coal fired boiler from Euler/Lagrangian modeling, (b) Outline of an Eulerian framework for chemical looping combustion.
& mair
Fluidized Bed Thermal Conversion. Fluidized bed thermal conversion does not allow the simplifications applicable to dilute systems, requiring a considerably greater numerical effort. Due to this a variety of simulation approaches was developed. It can be distinguished between macroscopic balance models, multiphase continuum models and discrete element/CFD models. Fluidized bed models utilizing the macroscopic balance approach date back to the 1950s [7] and are still the basic design tool for these systems. A number of review papers address macroscopic balance model developments; a recent review was published by Mahecha-Botero [8]. Models can be distinguished regarding many characteristics as the number of phases, the flow regime, the kind of bed regions addressed, the type of reactions/processes considered, the mixing behavior, the detailedness of the differential equations of mole- and energy balance. In the review by Mahecha-Botero more than 26 different characteristics are outlined. Macroscopic balance models are often very case specific. Only in very few investigations they are stated in three dimensions capturing transient behavior. Many
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model assumptions are included which have to be derived from experimental investigations. In multi-phase fluid dynamics the particle and fluid phase are modeled in the framework of the Navier-Stokes equations using averaged quantities. Closure equations for the solid phase pressure and the solid phase viscosity have to be provided, they are derived from the kinetic theory of granular flow [9] which is an extension of the classical kinetic gas theory. Although these models have been frequently used for bubbling fluidized beds, mixing, down-flow reactors and spouted beds, only few studies applied the model to reacting systems. This is due to the fact that particle size shrinkage and different particle sizes as encountered in combustion processes are difficult to capture in the Eulerian multi-phase framework. Multi-phase fluid dynamics models can however be used e.g. for carbon dioxide capture systems based on the chemical looping process involving a gaseous fuel. In the chemical looping process a solid carrier is providing the necessary oxygen for the combustion as shown in figure 1b. Multi-phase fluid dynamics models can be further enhanced if the Eulerian particle phase is linked with representative Lagrangian particles [10]. Particle size distributions are realizable and particle quantities like temperatures and species concentrations do not get blurred through the averaged quantities available on the Eulerian level. The discrete element method has been widely used for non-reacting fluidized particle systems. For reacting systems only few examples can be found in literature which are two dimensional [11,12]. Moving Bed Thermal Conversion. Moving beds are relevant for gasification reactors, cement kilns, down draft combustion and grate firing. Details on the processes can be found e.g. in [13,14,15]. Models are available on different levels of detail in a similar way as found for fluidized beds. Of importance in some models is the assumption of spatial temperature and species profiles within the particles. In contrast to other methods discrete element/CFD models can give detailed insight into particle motion and conversion with the least number of assumptions. Figure 2 gives details of a simulated lime shaft kiln modeled by DEM/CFD.
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Feed Stone
Energy
Cooling Air
a) b) Fig 2. (a) Geometry of a lime shaft kiln and (b) steady state particle temperature in a limestone calciner. DISCUSSION AND CONCLUSIONS Many different simulation methodologies are available for reacting fluid/gas systems in energy technology. All frameworks have certain limitations. Continuum models sometimes have the advantage to be able to address full size systems and time scales. For discrete element models this is only true for exceptional cases. Much more effort must be invested in comparing different approaches and in the investigation of the ability of the models to complement each other. REFERENCES 1. International Energy Agency, World Energy Outlook, Paris, France, 2007. 2. IPCC Fourth Assessment Report, Paris, France, 2007. 3. Smith PJ, Fletcher TH, and Smoot LD, Model for pulverized coal-fired reactors, Proc. Combust. Inst 18, 12851293, 1981. 4. Zhang J and Zhou LX, Particle behaviour in a pulverised coal-fired suddenexpansion combustor with coaxial jets, Fuel 80, 289299, 2001. 5. Kurose R, Makino H, Suzuki A, Numerical analysis of pulverized coal combustion characteristics using advanced low-NOx burner, Fuel 83 (6), 693-703, 2004.
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6. Wang Y, Yan L, CFD Studies on Biomass Thermochemical Conversion, Int. J. Mol. Sci. 9, 1108-1130, 2008. 7. Shen CY, Johnstone HF, Gas-Solid Contact In Fluidized Beds, AIChE Journal 1 (3), 349-354, 1955. 8. Mahecha-Botero A, Grace JR, Elnashaie SSEH, Lim CJ, Advances in modeling of fluidized-bed catalytic reactors: A Comprehensive Review, Chemical Engineering Communications, 196 (11), 1375-1405, 2009. 9. Ding J, Gidaspow D, A bubbling fluidization model using kinetic theory of granular flow, AIChE J. 32 (1), 523538, 1990. 10. Snider DM, An incompressible three-dimensional multiphase particle-in-cell model for dense particle flows, Journal of Computational Physics 170 (2), 523-549, 2001. 11. Zhou H, Flamant G, Gauthier D, DEM-LES simulation of coal combustion in a bubbling fluidized bed Part I, Chem. Eng. Sci. 59 (20), 4193-4203, 2004. 12. Oevermann M, Gerber S, Behrendt F, Euler-Lagrange/DEM simulation of wood gasification in a bubbling fluidized bed reactor, Partic.7 (4), 307-316, 2009. 13. Valipour MS, Saboohi Y, Modeling of multiple noncatalytic gas-solid reactions in a moving bed of porous pellets based on finite volume method, Heat And Mass Transfer 43 (9), 881-894, 2007. 14. Yin C, Rosendahl LA, Kaer SK, Grate-firing of biomass for heat and power production, Prog. in Ener. and Comb. Sci. 34 (6), 725-754, 2008. 15. Bluhm-Drenhaus T, Simsek E, Wirtz S, Scherer V, A coupled fluid dynamicdiscrete element simulation of heat and mass transfer in a lime shaft kiln, Chem. Eng. Sci. 65 (9), 2821-2834, 2010.
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IMPLEMENTATION OF TANGENTIAL FORCE IN 3D DISCRETE ELEMENT AND COMBINED FINITEDISCRETE ELEMENT METHODS
Jiansheng Xiang1, John-Paul Latham1, Ante Munjiza2,
1. Imperial College London, 2. Queen Mary, University of London
This paper describes the implementation of the tangential forces into 3D DEM and FEMDEM. Besides the classical Coulomb friction, the authors have also implemented velocity and pressure dependent friction. Three verification tests show FEMDEM code implementation of friction force in agreement with theoretical solutions. Finally, a rock dumping simulation shows 3D FEMDEM code is capable of simulating complex multibody system with friction.
BACKGROUND The discrete element method (DEM), sometimes called the distinct element method, is becoming widely used in simulating granular flows. Pioneering work in the application of the method to granular systems was carried out by Cundall and Strack [1]. They developed the so-called 2D soft-sphere discrete element method. However the capability of 2D DEM to model particulate phenomena of practical interest is quite limited. An increase in computing power and the motivation from industrial applications has driven the surge in development of fully 3D DEM. However, a problem has become apparent that may have been overlooked when 2D DEM is extended to 3D DEM. This concerns the implementation of tangential forces and these cant be naturally extended from a 2D model. Contrary to the normal force, the formulation of the tangential forces is either known as the
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History-Dependant Method" or increment method" in the DEM community. In 2D models, the tangential direction can be easily decided by vertical clock-wise normal direction or taking the direction of relative velocity in the tangential direction. But in a 3D model, two components are needed and an inappropriate implementation of friction force will lead to many problems and inaccuracy. Some researchers have realized this problem e.g. Raji and Favier [2] employed a spherical coordinate system to determine the tangential vector, but others havent noticed it and still apply the 2D model approach. An open source 3D FEMDEM code without friction was developed and used to simulate stresses upon packing of arbitrary shaped rocks [3]. The friction force, now implemented in this FEMDEM model is the subject of the present paper. Besides the most frequently used classical law of Coulomb, various friction laws that include static friction, velocity dependent and pressure-dependent friction laws have been implemented. MATHEMATICAL MODEL The computation of the tangential component of the contact force, i.e. the friction forces, is an essential feature of any discrete element code. In the present paper, we employ dry friction and Coulomb law which is described below. Coulombs law If the tangential force Ft is bigger than the friction force obeying the Coulombtype friction law, Ft Fn ,where is the coefficient of sliding friction, the particles slide over each other and the tangential force is calculated using the total normal elastic contact force Fn : Ft = Fn . The normal contact force model can be found in well documented DEM [1] and FEMDEM [4] publications. In most current DEM codes, the classical Coulomb friction law in which the friction coefficient is constant is applied. It has been found that for certain materials in sliding contact, the coefficient of dynamic friction is not constant when relatively low pressures act across the sliding surface, although pressure sensitivity is negligible once high pressures are acting. The velocity dependence of friction is perhaps better known, but often neglected in simulation technologies.
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Implementation of tangential force An elastic force-displacement model was used to calculate tangential forces. The total displacement between two elements (two spheres in DEM) is initialized to 0 once two elements are detected in contact. Then the tangential displacement between the two overlapping elements is evaluated and incrementally increased by the relative velocity between two elements. In order to calculate relative velocity, in FEMDEM it is assumed that the relative velocity of the contactor and the target elements is the average velocity of the nodes describing those elements (in DEM, the relative velocity can be exactly calculated at the contact point). In order to calculate tangential force direction accurately, an arbitrary rotating axis system is used and described in the full paper. VERIFICATIONS OF MODELS The FEMDEM simulation of a sliding cube is performed with length, 1 m, density 2340 kg/m3, Youngs modulus 26GPa and Poissons Ratio 0.205. Classical Coulomb friction law
10
Analytical results
9 8 7 Stop distance (m) 6 5 4 3 2 1 0 0
Numerical results
L=
Vt 2 2 g
3 Velocity (m/s)
Fig. 1 Comparison of simulated and analytical results for stop distance of a block as a function of Vt and for a classical Coulomb friction law. The case of a cube which is paced on a horizontal plane with initial horizontal velocities is carried out as a benchmark test for 3D FEMDEM with sliding friction. The stop distance L can be theoretically derived and is given by the equa-
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tion, L = Vt 2 2g , where is the coefficient of sliding friction, g is the gravity acceleration, and Vt is the initial horizontal velocity. The cube is given an initial velocity Vt and then slows down due to the frictional effect with the base. Finally it stops at a distance L. Results are compared with the analytical solution (see Fig. 1). It shows that the numerical results are in excellent agreement with the theoretical values. Pressure-dependent Coulomb friction law A pressure-dependent Coulomb friction law was also implemented and investigated. The friction coefficient which is a function of contact pressure P, reference pressure p0, minimum m and maximum s_c sliding friction coefficient conducted with different contact pressures P was able to accurately reproduce the analytical expression, as shown in Fig. 2. It is worth mentioning that the friction coefficient in the plot is derived from the ratio between normal and tangential forces measured in the simulation for the different pressures.
0.45
Numerical results Analytical results
0.40
0.35
0.30
Coefficient of friction
0.25
= m + ( s _ c m )
P0 = 2.6 10 3 Pa n = 2
p p0
0.20
0.15
0.10
0.05
0.00 0.00E+00 5.00E+04 1.00E+05 1.50E+05 2.00E+05
Pressure (Pa)
Fig. 2 Comparison of simulated and analytical results for friction coefficient as a function of contact pressure for the pressure-dependent Coulombs friction law. Velocity-dependent Coulomb friction law As there is a transition from a static to a dynamic frictional state, it is selfevident that there is a velocity-dependence for the friction coefficient responsible
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for actively resisting movement by sliding. A model considered appropriate for capturing this behaviour is given in Fig. 3, in which the friction coefficient is calculated by static friction coefficient s and sliding friction coefficient d. The plot shows the transitions from peak to residual sliding friction for both directions of motion is captured by the simulation and shown to follow the analytical velocitydependent Coulomb friction law used in the simulation.
0.5 Analytical results Numerical results 0.4
= d + ( s d )e c V
c=100
0.3
Coefficient of Friction
0.2
0.1
0 0 -0.1 2 4
-6
-4
-2
Vt (m/s)
-0.2
-0.3
-0.4
-0.5
Fig. 3 Comparison of simulated and analytical results for friction coefficient as a function of constant horizontal velocity EXAMPLE APPLICATION: ROCK DUMPING SIMULATIONS The test conditions and set up for the rock dumping simulation were described in [3] and the start position of dumping is as shown in the space filled array of Fig. 4. When this rock dumping simulation is performed with zero friction it takes many seconds to reach a state of rest as the only energy dissipation mechanism implemented is by viscous damping of the elastic wave propagation. There is considerable bouncing of the rock-like boulders and a high packing density is achieved. The friction model implemented here is the classical Coulomb friction law i.e. =constant. Setting the friction coefficient to 0.4 produces a rapid settling to a state of rest, with a low packing density that preserves some of the original boulder array structure (see Fig 4 left). The visualisation of the simulation is extremely realistic with dynamic stress levels captured throughout the process. The simulation movie is now on the VGeST website (vgest.net/applications/silo-filling/).
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Fig. 4 Rock dumping simulation, 5.3 metre wide bin, 288 rocks of 40 kg mass, D = 0.31 m, friction coefficient = 0.4. CONCLUSIONS The implementation of the tangential forces into 3D DEM and FEMDEM has been completed and will be described in the conference presentation and the full paper. Besides the classical Coulomb friction, the authors have also implemented friction models which account for some more complex observed frictional phenomena such as dependence on relative velocity and contact pressure. A limited series of simulations have been reported showing FEMDEM code implementation of friction force in agreement with theoretical solutions. However, the authors are under no illusions about the complexities associated with modeling frictional behaviour as it is very different for different application conditions. More work will be needed on validation studies including physical experimental work. REFERENCES 1. Cundall, P.A. and O.D.L. Strack, 1979. Discrete numerical model for granular assemblies. Geotechnique, 29(1): p. 47-65. 2. Raji, A.O. and J.F. Favier, 2004. Model for the deformation in agricultural and food particulate materials under bulk compressive loading using discrete element method. I: Theory, model development and validation. Journal of Food Engineering, 64(3): p. 359-371. 3. Xiang, J., Latham, J.P., Munjiza, A., Mindel., J. . 2008. Applications of the combined finite-discrete element method. in Beijing DEM'08. 2008. Beijing. 4. Munjiza, A., 2004. The Combined Finite-Discrete Element Method: John Wiley & Sons.
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DEVELOPMENT OF VIRTUAL GEOSCIENCE SIMULATION TOOLS, VGEST USING THE COMBINED FINITE DISCRETE ELEMENT METHOD, FEMDEM
John-Paul Latham1, Jiansheng Xiang1, Antonio Munjiza2
1. Imperial College London, Department of Earth Science and Engineering 2. Queen Mary College London, Department of Engineering
The VGeST is a suite of freely available Open Source simulation tools based on the powerful combined FEMDEM discontinuum modelling approach. Graphical user interface (GUI) functionality of leading proprietary pre-processors can easily be exploited. The effort to set up input files for the 2D and 3D FEMDEM solvers is minimized through interactively completing drop-down templates and using meshing tools in a pre-processor. In this paper we provide a taste of the working environment of VGeST, and an illustration of the power of the FEMDEM codes Y2D and Y3D to tackle stresses and displacements in blocky or layered systems and in addition, problems of a granular nature which benefit from VGeSTs inclusion of a shape library of virtual particles, P3D.
INTRODUCTION Combined FEMDEM was proposed by Antonio Munjiza with the first working FEMDEM code (the RG program written in C++) developed by Munjiza in 1990. Combined FEMDEM allows the individual particle motion governed by DEM formulations to be combined with an ability to discretise any particle into consid-
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erably smaller deformable finite elements. By 2004, many of the key FEMDEM algorithms had been published in journals. These developments and implementations were brought together and expanded upon in Munjizas textbook [1]. Important advantages of FEMDEM over DEM models based on spheres, ellipsoids superquadrics or clustered spheres include: complex particle shapes including non-convex and angular faceted ones can be introduced, a vast range of alternative e.g. non-linear constitutive or internally fracturing properties can be introduced for the individual particles, further field variables such as temperature can be added.
WHAT IS VGEST? VGeST a suite of Virtual Geoscience Simulation Tools for modelling discontinuous systems, i.e. particulate, granular, porous, blocky, layered, fracturing and fragmenting systems is a computer software environment. A new website (and name) was created to act as a forum from which users and developers can carry forward research on code development and applications arising from the now completed VGW (Virtual Geoscience Workbench) research project, a 5-year collaborative project developed on two sites (Imperial College London and Queen Mary, University of London). The main objectives of VGW were to assemble FEMDEM codes in both 2D and 3D, and most importantly, to make them available in Open Source format and to apply the codes to Geoscience. The suite of simulation software, VGW v1.0 was launched on the Open Source repository, Sourceforge.net, on March 30th 2009 and at the time of writing this continues to be the current version available for users of VGeST. It is the first freely available open source suite of 2D and 3D simulation tools based on FEMDEM. Complex multi-body systems from which dynamic 3D stress components can be visualised and interrogated can now be modelled. The software modules are managed through Sourceforge and are available for research users and developers with LGPL licenses. Fluid modelling coupled to FEMDEM was a key component of the VGW project and this aspect will also be taken forward under VGeST.
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V G eS T
released on Sourceforge.net
INPUT
Geometry Import CAD MESHES DFN Pre-processing GiD
P3D
B2D B3D
SOLVERS
Discrete Solids Fluids FLUIDITY
Y2D Y3D CLDEM
VISUALISER & ANALYSIS TOOLS

MAYAVI, PARAVIEW, OPENDX
DOCUMENTATION
Manuals, Coding Standards, Examples, Tutorials, Movies, Publications
Fig. 1 Contents of VGeST indicating software modules available for download from Sourceforge.net in bold font.
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VGEST COMPONENTS To unblock the tedious error-prone data input phase for problem definition, the considerable advantages of adopting the proprietary software, GiD as a preprocessor (free for monthly trials and comparatively reasonably priced and developed by the International Centre for Numerical Methods in Engineering, CINME) seemed to out way writing a customised graphics user interface (GUI) for FEMDEM applications. Furthermore, off-the-shelf freeware post-processors Mayavi and Paraview available from Sourceforge were also found to be excellent. Mahabadi et al. [2] introduced a specifically designed GUI for geomechanical applications of the Y2D solver with a number of particular features, notably a heterogeneity module. Their user interface for 2D is named Y-GUI. There are therefore several options for users of the Y2D solver to build models. The VGeST package contents are shown in Fig. 1. Several specific attributes of the GiD package of great importance in harnessing the Y2D and Y3D solver technology are noted here: versatile handling of import and export file formats hierarchical geometry specification; point, line, plane, volume advanced meshing including unstructured and nonlinear tetrahedra customizable drop-down templates for problem condition setting
The input files required by the solver codes Y2D and Y3D are created in GiD using B2D and B3D. Drop-down templates acting as GUIs are integrated within GiD. To get started with FEMDEM simulations: Download and install the VGW package from sourceforge.net Download and install GiD from gid.cimne.upc.es and Mayavi from mayavi.sourceforge.net Copy the FEMDEM folder which includes GiD templates (B2D.gid and B3D.gid) to the GiD problem types location Open GiD and Mayavi Build problem in GiD using templates Press calculate and wait to view results in Mayavi
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EXAMPLE: MULTI-BODY COLLISIONS IN 3D A small multi-body system was simulated with www.VGeST.net [3] to demonstrate the 3D FEMDEM codes ability to model impacting complex-shape bodies. This small system consists of two objects drawn by CAD (a sphere and a cube), and two identical rock geometries obtained from a shape library of geometries captured in our laboratory from pieces of rock aggregate using a laser scanner. These rock geometries (seen as GiD NURB surfaces in Fig. 2) were chosen from the shape library, P3D. Some VGeST applications are illustrated in Fig. 3.
(a)
(b)
(c)
(d)
Fig. 2 Multi-body problem: pre-processing in GiD and visualization in Mayavi (a) typical template, (b) geometry: blue lines, pink surfaces, turquoise volumes (c) meshed volumetric elements (d) visualized 3D transient stress and motion.
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(a)
(b)
(c)
(d)
(e)
Fig. 3 FEMDEM applications [3]: (a) multilayer folding in alternately stiff and weak layers, (b) rock slide avalanching, (c) silo discharging with stress chains and bridging, (d) and (e) 200m cube of dissected rock mass subjected to boundary displacements generating strong stress heterogeneity between different blocks [4]. REFERENCES 1. Munjiza, A., 2004. The Combined Finite-Discrete Element Method: John Wiley & Son 2. Mahabadi O.K. Grasselli. G., Munjiza A. 2010. Y-GUI: A graphical user interface and pre-processor for the combined finite-discrete element code, Y2D, incorporating material heterogeneity. Computers & Geosciences 36, 241252. 3. VGeST website: http://vgest.net, accessed 12.05.10. 4. Harrison, J.P. Latham, J.P. Xiang, J and Zhang, C. 2010. Heterogeneity of stress field in a dissected rock mass modelled with the combined finitediscrete element method. NARMS Conference, Salt Lake Cit, June 2010.
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COUPLED GAS-PARTICULATE DISCHARGE FROM BUCKET ELEVATORS

Matt Sinnott1, James Hilton1, William McBride2 and Paul Cleary1
1
CSIRO Mathematics, Informatics and Statistics, Melbourne, Australia

2
TUNRA Bulk Solids, University of Newcastle, Newcastle, Australia
The vertical conveying of bulk materials is often performed using bucket elevators. Such devices use conveyor belts or chains to drag a series of buckets carrying fine materials up and down the inside of an enclosed chute. The speeds at which these buckets travel can displace a large volume of air inside the chute, and the interaction between air and bucket contents can lead to fines accumulation in the chute as well as modify the discharge dynamics of the granular load. We present here a first study of coupled gas-particle dynamics in the discharge of such buckets.
INTRODUCTION Bucket elevators are a common industrial device used throughout the bulk materials handling world. They offer a compact footprint for the vertical elevation of a wide variety of bulk materials. There is very little restriction on the height of elevation and tonnage rates are broadly scalable. A bucket elevator consists of a conveyor belt (or chains) with a series of buckets bolted onto the belt. It is enclosed in a vertical chute with the head-pulley at the top of the chute and beside a splitter and exit chute that material is thrown into upon discharge.
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In operation, the buckets within a bucket elevator pass through the lowermost section of the elevator called the boot. The boot of the elevator is generally full of the bulk material to be conveyed. This is supplied either from material being fed to the downward strand or the upwards strand of the elevator and is added to by spillage at the head pulley itself. Irrespective of the mode of feeding, at some point soon after the boot of the elevator the buckets fill to a level commensurate with the tonnage rate needed in operation. A previous Discrete Element Method (DEM) study from McBride et al. (2009) investigated the effect of belt deformation (at the transition point from linear belt to head pulley) on material discharge. The speed at which buckets are elevated upwards in the confined space of the chute displaces a large volume of air. This gas may then enter the bucket, blowing off surface layers of fine material which can settle into other buckets below or accumulate inside the boot. The gas will also apply a drag force on the stream of discharging particles. This can modify particle trajectories and therefore influence which particles are directed into the exit chute or fall back into the boot. GAS-PARTICULATE COUPLED MODEL We use DEM to model the granular material in the bucket and couple this to a Finite-Volume implementation of a gas. The details of the gas model follow: Drag Forces. The drag force is the dominant fluid-particle interaction force in the system. The drag force exerted on a particle in a multi-particle system with corrections due to Di Felice (1994) is:
FD = 1 cd u r Au r 2
2
= 3.7 0.65 exp (1.5 log Re )

1 2
(1)
where cd is a drag coefficient, the fluid density, ur the local relative flow velocity and the local voidage fraction. The local Reynolds number is given by Re = 2r|ur|/ where r is the equivalent spherical radius of the particle and is the fluid dynamic viscosity. We use the following drag coefficient for single particles given by Holzer and Sommerfeld (2008), based on correlations to experimental data:
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cd =
0.2 8 1 2 3 1 0.4 log ) + + 0.42 10 ( + 3 Re Re 4
(2)
where the sphericity, , and the crosswise sphericity, , are both unity for spherical particles. Particles are also subject to Stokesian rotational drag, given by TD = 8r3r. Fluid dynamics. We use constitutive equations for gas flow through a porous bed for modelling the system, given by Kafui et al. (2002). If the gas density is assumed constant the expressions can be re-formulated for the superficial gas velocity u = u:
= u t
1 u 1 u + ( u ) u + u = p + f fp + ( ) + g t
(3)
where p is the fluid pressure, the stress tensor takes the usual form and the fluid particle interaction body force, ffp, is the volume averaged force from the particle drag on the fluid. These equations are discretised on a Cartesian grid over the simulation domain. The porosity is explicitly calculated from the DEM simulation at each timestep using a recursive Octree approach. The particle surface is checked for intersection with a grid spanning the particle. Any part of the surface within a grid cell is recursively subdivided down to some prescribed minimum level. At the smallest cell size a linear approximation to the volume fraction is used. Our method is fast and highly accurate. The procedure for the numerical calculation is firstly to determine the porosity at the new time step by calculating the volume distribution from the DEM particles. The velocity field is then calculated using Eq. (5), which gives the rate of change of porosity as divergence of the velocity and the velocity field at the next timestep. Eq. (5) is solved using a variation of the pressure correction method.
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INFLUENCE OF GAS ON BUCKET DISCHARGE The bucket was filled with a 5kg load of 200,000 DEM spheres with diameters in the range 2.5-5mm with an equal mass distribution in each size class. We have used a solid density of 1100 kg/m3, a coefficient of friction of 0.5 for particleparticle and particle-boundary collisions, and a coefficient of restitution of 0.5 for particle-particle and particle-boundary collisions. These correspond to reasonable parameters for Polyethylene pellets. A spring constant of 2000 N/m was used, giving average particle overlaps < 0.2%. We specify a belt speed of 1.35 m/s for the bucket motion. The bucket and chute assembly for the DEM simulation is shown in Figure 1 at a couple of instances to show bucket motion and material discharge. When the bucket reaches the head pulley, it tilts following the belts path around the pulley. We observe material being centrifugally thrown from the rear of the bucket. The bucket then fully tips over at the other side of the pulley and discharging material is thrown towards the splitter and exit chute.
Figure 1: Flow pictures demonstrating the discharge of the bucket where particles are coloured by speed and red corresponds to high speed flow. The effect of the bucket and particulates motion on the gas flow field is shown in Figure 2. We observe that there is a high speed gas flow dragged up behind the bucket and strongly follows the motion of the bucket as shown in Figures 2a-c. Gas is also pushed in front of the bucket and travels at the speed of the bucket,
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except for a gas layer near the surface of the bucket that appears to be travelling slower and is deflected upwards due to interaction with the shearing layers of discharging material. In Figure 2d, the gas velocity vectors distort to follow the path of the discharging granular stream rather than fully following the bucket.
(a)
(b)
(c)
(d)
Figure 2: Close-up view of the gas field interacting with the particulate flow. We now compare two different DEM simulations, with and without the gas included. Figure 3 shows the two cases superimposed where the case with gas is coloured red and the no gas case is coloured blue. There are observable delays for the discharging stream with coupled gas flow, even for the relatively large particle
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sizes used here. Figure 3a shows the gas perturbing the surface material layer and pushing it upwards away from the bucket. The discharging stream also exits the bucket at a slightly different angle to the no gas case as shown in Figures 3a-b. In Figure 3c-d, the bucket has fully tipped over and the bulk of the material centrifuges out and is thrown towards the exit chute and splitter. Here we see that the drag on the particles by the gas is significant enough that the main discharging stream for the case with gas can be observed lagging behind the case with no gas.
DEM + gas DEM only
(a)
(b)
(c)
(d)
Figure 3: Superimposed flow of 2 DEM simulations with (red) and without (blue) the inclusion of the gas model. CONCLUSION A model of the interaction between gas in an enclosed chute and a high-speed bucket elevator conveying and discharging granular spherical pellets has been presented. We demonstrate the effect of the gas field on the discharging stream out of the bucket and observe that the drag force on the particles is enough to modify the discharge dynamics even for 2-5 mm particles. REFERENCES 1. W. McBride, M.D. Sinnott and P.W. Cleary, CHOPS 09, 2009. 2. R. Di Felice, Int. J. Multiphase Flow, 20, p153, 1994. 3. A. Hlzer and M. Sommerfeld, Powder Technology, 184, p361, 2008. 4. D.K. Kafui, C. Thornton and M.J. Adams, Chem. Eng. Sci., 57, p2395, 2002.
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LARGE SCALE DISCRETE ELEMENT MODELING OF FINE PARTICLES IN A FLUIDIZED BED

M. Sakai, Y. Yamada, Y. Shigeto, K. Shibata, S. Koshizuka
Department of Systems Innovation, School of Engineering, The University of Tokyo
The Discrete Element Method (DEM) is widely used in computational granular dynamics. The DEM is a Lagrangian approach where individual particle is calculated based on the Newtons second law of motion. Hence, the DEM enables us to investigate the granular flow characteristics at the particle level. On the other hand, the DEM has a difficulty to be used in large-scale powder systems because the calculation cost becomes too expensive when the number of particles is huge. Consequently, we have developed a coarse grain modeling as a large scale model of the DEM. The coarse grain particle represents a group of original particles. The coarse grain model was applied in typical gas-solid and solid-liquid two phase flows where the particle size was relatively large. In the present study, the coarse grain model is evolved to simulate fine particles by considering cohesive force, namely the interparticle van der Waals force. The adequacy of the coarse grain model is proved by comparing the simulation results of original particle system. It is shown that the coarse grain model considering the interparticle force could simulate the original particle behavior precisely.
INTRODUCTION It is well known that particle behavior depends on the properties. Geldart classified powders into four different groups based upon their fluidization behavior. In
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these groups, the particles belonging to the Group B and D are regarded to be a coarse particle. In the past studies, various numerical studies were made by focusing on the Group B and D particles. The fluidized bed simulations were performed by coupling Discrete Element Method (DEM) and Computational Fluid Dynamics (CFD). Since the coupled DEM-CFD method was developed, various numerical simulations were performed in fluidized beds. The DEM is a Lagrangian approach where individual particle is calculated based on the Newton's second law of motion. The DEM enables us to investigate the granular flow characteristics at the particle level. Therefore, the DEM solve lots of complicated problems related to the granular flows. On the other hand, the numerical simulations of fine particles belonging to Groups A or C were hardly performed unlike the Geldart B and D particles. This is because the calculation cost becomes too expensive due to modeling of various interparticle forces. Recent advances of computer performance makes possible to simulate the behavior of the Geldart A particles, though the system or number of the calculated particles is relatively small. Fundamental studies of Geldart A particle behavior were made by the 2D and 3D DEM-CFD method. In these studies, the cohesive particles were computed considering the interparticle van der Waals force. As addressed above, the computer simulation makes feasible to understand the complicated phenomena related to fine particles. On the other hand, in the past studies, small-sized fluidized beds were employed due to the drawback of such a detailed description. Thereat, a large-scale discrete element model is developed to simulate the fine particles. A coarse grain particle represents a group of the original particles. In this study, 2D DEM-CFD simulations were performed to show the adequacy of the coarse grain model. The adequacy of the model was proved by the numerical examples, namely comparison of the result of the original particle system with those of the coarse grain model. THE COARSE GRAIN MODEL Originally, the coarse grain model was developed to simulate the non-cohesive particles belonging to Geldart B and D in a large-scale system. In our previous studies1), the contact force, drag force and gravitational force are taken into consideration. A coarse grain particle represents a group of the original particles in this model. In other words, the calculations are performed by using the coarse
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grain particles literally instead of the original particles. In the present study, the coarse grain model is evolved to consider the interparticle van der Waals force. When the coarse ratio is l, namely size of the coarse grain particle is l times larger than that of the original particle, l3 original particles exist in the coarse grain particle. In this model, when the binary interaction of the coarse grain particle was made, l3 pairs of the original particles are assumed to interact simultaneously. The contact force acting on a coarse grain model is estimated by equating the kinetic energy of the coarse grain particle with that of the original particles. The drag force and the external force like gravitational force are modeled by balancing the coarse grain particle with the group of the original particles. Hence, the drag force and external force acting on the modeled particle are proportional to the number of the original particles. The van der Waals force is modeled that the potential energy of the coarse grain particles is equated with that of the original particles. When the coarse grain particle i interact with j, binary interaction of all the original particles is assumed to happen in the coarse grain particles. Eventually, all the forces acting on the coarse grain particle is expressed as:
mCGM CGM F fCGM VCGM p FCCGM FgCGM FvwCGM x l 3 F fO l 3VO p l 3 FCO l 3 FgO l 2 FvwO
(1)
where Ff, p, FC, Fg and Fvw indicate drag force, pressure, contact force, gravitational force and van der Waals force. The van der Waals force is given by:
FvwCGM l 2
HrO n 12hO
(2)
ALGORITHM In this current study, the discrete particle equations of motion are first solved yielding the particle positions and velocities. The porosity of each computational cell is estimated based on the particle positions. The gas-phase hydrodynamic equations are solved to give the gas velocity and pressure fields by using the known values of particle velocity and the void fraction at the present time. This procedure is iterated for each calculation cycle. A semi-implicit finite volume method employing a staggered grid is used for discretising the incompressible
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Navier-Stokes equation on a two dimensional Cartesian grid. The particle acceleration was calculated according to the contact force, drag force, gravitational force and van der Waals force as mentioned above. The angular acceleration was obtained from the torques. NUMERICAL SIMULATIONS The calculation domain was rectangular whose size was 60mm x 600mm. The spherical particles were packed randomly as the initial conditions. Number of grids was 15 x 150. The gas was injected from the bottom side by 0.1 m/s of superficial velocity. The particle density was 1000 kg/m3. Coefficients of restitution and friction were 0.9 and 0.3, respectively. The gas density and viscosity were 1.0 kg/m3 and 1.8105 Pa s, respectively. The same values of the physical properties were used in all the simulations. 8 cases of the calculation were performed in the current study. In Case 1 to 4, the Hamaker number was set to be 1.0 1020 J. In Case 5 to 8, the Hamaker number was set to be 1.01019 J. In Case 1 and 5, the DEM-CFD simulations were performed in the original particle system, where particle size was 200 m and number of the particles was 90000. The coarse grain model was applied in Case 2, 3, 6 and 7. The coarse ratio was set to be 2.0 in Case 2 and 6. In these simulations, the diameter of the coarse grain particle was 400 m and number of the calculated particles was 22500. The coarse ratio was set to be 3.0 in Case 3 and 7. In these simulations, the diameter of the calculated particle was 600 m and number of the calculated particles was 10000. Effectiveness of the coarse grain model was investigated in Case 4 and 8, where simply large-sized particle was used without the coarse grain model. The size of the calculated particles was 600 m in these calculations. The simulations were finished when the actual time became 2.0 sec. RESULTS AND DISCUSSION Figure 1 shows the typical snapshots of the simulation results in Case 1 to 4. These pictures shows the particle behavior after 1.0 sec from the initial state. Bubbles were observed in Case 1 to 3, whereas the particles hardly moved in Case 4. Quantitative evaluation of the coarse grain model was made by measuring the bubble size, the bubble velocity and the bed height. The results oof the coarse grain model were in good agreement with that in the original particle system.
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Figure 2 illustrates the typical snapshots of simulation results in Case 5 to 8. These pictures shows the particle behavior in 1.0 sec. Channeling was observed in Cases 5 to 7, whereas the particles hardly moved in Case 8. Quantitative evaluation of the coarse grain model was made by measuring the bed height. The results obtained by the coarse grain model were in good agreement with that in the original particle system. It is shown that the coarse grain model could simulate the original particle behavior precisely. This is because all the forces acting on the coarse grain model, namely the drag force, the contact force, the van der Waals force and the gravitational force, could be modeled adequately. CONCLUSION The coarse grain model which is a large scale discrete element modeling of cohesive particles was developed in this study. The coarse grain model was applied in a 2D fluidized bed. It is shown that the coarse grain model could simulate the original particle behavior precisely. ACKNOWLEDGMENTS This study was supported in part by Global COE Program (Nuclear Education and Research Initiative), MEXT, Japan. REFERENCES 1. M. Sakai and S. Koshizuka Large-Scale Discrete Element Modeling in Pneumatic Conveying, Chem. Eng. Sci., 64, 533-539, 2009.
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Fig 1. Typical snapshots of simulation results (Case 1 to 4)
Fig 2. Typical snapshots of simulation results (Case 5 to 8)
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A PRELIMINARY STUDY ON MODELING LIQUIDSOLID INTERACTION USING SMOOTHED PARTICLE HYDRODYNAMICS

Jihoe Kwon, Heechan Cho, Hoon Lee
Seoul National University, Department of Energy Resources Engineering
As a preliminary study to model liquid-solid interaction using smoothed particle hydrodynamics, a different approach was taken to determine drag force acting on the rigid body. The developed SPH algorithm was tested for flows past a circular cylinder at various Reynolds numbers. Model is verified by comparing with existing experimental and numerical results for wake length and drag coefficient. Drag forces acting on the cylinder were determined by using the velocity distribution of neighboring fluid particles on the surface of cylinder. Drag coefficient from the simulation showed good agreement with standard experimental curve under the condition of of Reynolds number range from 1 to 100.
INTRODUCTION Liquid-solid flow systems are widely used in mineral processing industries including milling, separation, and material transport processes; however mathematical and computational analysis of these systems presents numerous difficulties. The most challenging problem in this area is how to analyze and model the interaction of two phases, solid and liquid. The motion of solid particulate materials affects the liquid flow and is also influenced by the flow fields through interactive effects; thus, the moving particulate materials can be considered to create an un-
139
steady boundary condition for fluid flow. Thus, conventional CFD methods based on spatial grids and meshes suffer from fundamental limitations in simulating this changeable flow domain system. In this study, we used SPH (Smoothed Particle Hydrodynamics) to model liquid phase kinematics. SPH is a Lagrangian CFD method in which flows are analyzed by tracing the movement of fluid material points without using any spatial grid. It was originally invented to solve astrophysical problems in threedimensional open space. In its early days SPH was applied to the analysis of compressible flows [1, 2, 3]; at present, the application areas of SPH are being expanded to various incompressible flow problems such as free surface flow [4 ,5], Stokes flow [6], and flow through porous media [7]. Also there have been few studies on modeling the liquid-solid interaction using SPH-DEM [8, 9] or SPH-SPH [10]. However, their works were based on the indirect assumptions or using one-way coupled model which do not represent the interaction of two phases. In this study, a different approach was taken to model liquid-solid interaction by directly calculating the stress and the pressure of fluid particles neighboring on the surface of rigid body. The developed SPH algorithm was tested for twodimensional flows around circular cylinders at various Reynolds numbers. Drag forces acting on the cylinder were evaluated and the drag coefficient from the simulation was compared with standard experimental curve. SIMULATION METHOD The flow around a cylindrical particle was modeled in two dimensions. Simulations were executed under the conditions of Reynolds number ranging from 1 to 100. The diameter of the cylinder was set at D=5 mm and v0, the bulk velocity of water varied from 0.2 to 20 mm/s. In all cases, a problem domain with dimensions of a height of 6 times the diameter and a length of 10 times the diameter was filled with fluid particles, and the particles inside the cylinder were then excluded. All the fluid particles were initially at rest, and an external acceleration was applied to reach the bulk velocity of water, v0 after 5 s. Then, simulations were continued for a further 5 s, after which the fluid velocity distribution and drag force acting on the cylinder were evaluated.
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The flow was assumed to be an unbounded external flow. To model the continuous flow, fluid particles crossing the outlet boundary were immediately teleported to the inlet. Imaginary particles were located around the boundary of problem domain to set the fluid velocity at the boundary of the domain as , and also set around the surface of the cylinder to satisfy the no-slip condition at the solid boundary. The focus of this work is in determining drag force using SPH based on straightforward approach. In SPH, determination of drag force is relatively difficult compared to conventional CFD because interpolation points are not fixed on the space. However, if the drag can be determined using SPH, it is possible to model interaction between solid and liquid without any conflict. In conventional CFD based on spatial grid, although we can calculate drag force straightforwardly, it is very difficult to move solid body because it leads to the redetermination of spatial grid for every timestep. In SPH, on the other hand, when drag force is determined, it is relatively easy to change in position of immersed body. This is one of the advantages which SPH has compared to conventional CFD for modeling liquid-solid flow. Takeda et al. [11] and Potapov et al. [8] have attempted to determine drag force using SPH; however, their approaches were based on the indirect assumption that the drag force acting on the rigid body can be approximated by the sum of interaction forces between real fluid particles and imaginary particles in the body. To determine drag force straightforwardly, we classified fluid particles into 72 groups with their angle in the cylindrical coordinate system (5 for each). The closest particle to the surface of cylinder was determined for each group. or the stress that acting on the cylindrical surface, can be expressed as
s = (s n + s q )
where the normal stress s n and the tangential stress s q are as below:
(1)
s n = t rr + p n = - m ( 2
vr 3 mv ) + [ p0 - rgR cosq - ( 0 ) cosq ] n r 2 R
(2)
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s q = t rq = - m[r
vq ( )] r r
(3)
Derivative terms were evaluated using the linear approximation of fluid velociis ty from the solid surface to the neighboring fluid particles. The term related with buoyancy, and the integration of p0 along the surface should be zero. The drag force acting on the infinitesimal area dA is
f d = { -2 m v r 3 mv 0 1 v - ( ) cos q n - m[ R ( q )]}dA Dr 2 R Dr r
Dr = R - r
(4) (5)
v where R is radius of the cylinder, and r , q , v r and q are coordinates and velocity vectors of neighboring fluid particles. There are 72 neighboring fluid particles; thus the infinitesimal area dA is approximated as below:
dA @ DA =
pRDz
72
(6)
Solving the above equations algebraically, the drag force acting on the cylinder can be evaluated. RESULT AND DISCUSSION Simulation results for the various Reynolds numbers are shown in Fig.1. With alteration of Re, clearly different flow patterns are observed. In the case of low-Re laminar flow (Re=1), streamline goes around the surface and no wake occurs. In the cases of flows under the conditions of Re10, boundary layer separation points were formed and gradually moved upstream with the increase of Reynolds number. Wake length increases with the increase of Reynolds number. Fig.2 shows the wake length as a function of Reynolds numbers compared against the results from previous experimental and numerical studies. Simulation result corresponds to the result from previous studies with acceptable degree of accuracy.
142
(a)
(b)
(c)
(d)
Fig.1. Vector expression of fluid velocity at various Re values: (a) Re = 1, (b) Re=10, (c) Re=30 and (d) Re=100 CD from the simulation at various Re values were evaluated and compared with the standard experimental curve (Fig.3). Resolution studies showed that with the increase of Reynolds number, resolution required to model the flow increases. For a low-Re flow (Re=1), CD from simulation with 8,872 particles shows good agreement with experimental data. Under the conditions of Re=3 and 10, 35,500 particles are required to get a result that corresponds to the experimental data with acceptable error. Simulation result converged to the standard experimental curve when 142,008 particles are used under the conditions of Re=30 and 100. With the increase in resolution, simulation result shows a good convergence and corresponds well to the standard experimental result.
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Fig.2. Wake length as a function of Reynolds numbers: compared against the experimental data by Coutanceau & Bouard [12] and numerical results by Dennis & Chang [13], Fornberg [14] and He & Doolen [15]
301
Fig.3. Comparison of the Drag Coefficient for a circular cylinder with standard experimental curve from Hoerner [16]
0001
04
)selcitrap 800,241 htiw( HPS )selcitrap 005,53 htiw( HPS )selcitrap 278,8 htiw( HPS evruC latnemirepxE dradnatS
001
03
eR ,rebmuN sdlonyeR
eR ,rebmuN sdlonyeR
01
02
nelooD & eH grebnroF gnahC & sinneD )HPS( tneserP drauoB & uaecnatuoC
01
5.2 0.2 5.1 0.1 5.0 0.0

1-01 201 101 001
D/L ,htgneL ekaW sselnoisnemiD

D
C ,tneiciffeoC garD
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CONCLUSION As a preliminary study to model liquid-solid interaction, drag force acting on a circular cylinder were modeled under the conditions of Reynolds number range from 1 to 100 using SPH. Model is verified by comparing with existing experimental and numerical results for wake length and drag force. Drag coefficient from computational result shows good agreement with the standard experimental curve. Resolution studies showed that with the increase of Reynolds number, higher resolution is required to model the flow. The result of this preliminary study are promising and indicate that SPH may be an useful tool for modeling liquid-solid interaction. Ongoing work includes flow around a square cylinder and settling of spheric particle in three dimensions. REFERENCES 1. L.B. Lucy, A numerical approach to the testing of the fission hypothesis, Astronomical Journal, 82, 1013-1024, 1977. 2. R.A. Gingold, J.J. Monaghan, Smoothed particle hydrodynamics: Theory and application to non-spherical stars, Monthly Notices of the Royal Astronomical Society, 181, 375-389, 1977. 3. J.J. Monaghan, Smoothed particle hydrodynamics, Annual Review of Astronomical and Astrophysics, 30, 543-574, 1992. 4. J.J. Monaghan, Simulating free surface flow with SPH, Journal of Computational Physics, 110, 399-406, 1994. 5. A. Colagrossi, M. Landrini, Numerical simulation of interfacial flows by smoothed particle hydrodynamics, Journal of Computational Physics, 191, 448-475, 2003. 6. J.P. Morris, P.J. Fox, Y. Zhu, Modeling low Reynolds number incompressible flows using SPH, Journal of Computational Physics, 136, 214-226, 1997. 7. J.P. Morris, Y. Zhu, P.J. Fox, Parallel simulations of pore-scale flow through porous media, Computers and Geotechnics, 25, 227-246, 1999.
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8. A.V. Potapov, M.L. Hunt, C.S. Campbell, Liquidsolid flows using smoothed particle hydrodynamics and the discrete element method, Powder Technology, 116, 204-213, 2001 9. P.W. Cleary, M. Sinnott, R. Morrison, Prediction of slurry transport in SAG mills using SPH fluid flow in a dynamic DEM based porous media, Minerals Engineering, 19, 1517-1527, 2006 10. H.H. Bui, K. Sako, R. Fukagawa, Numercial simulation of soil-water interaction using smoothed particle hydrodynamics(SPH) method, Journal of Terramechanics 44, 339-346, 2007 11. H. Takeda, S.M. Miyama, M. Sekiya, Numerical simulation of viscous flow by smoothed particle hydrodynamics, Progress of Theoretical Physics, 92, 939-957, 1994 12. M. Coutanceau, R. Bouard, Experimental determination of the main features of the viscous flow in the wake of a circular cylinder in uniform translation. Part 1. Steady flow, Journal of Fluid Mechanics, 79, 231-256, 1977. 13. S. C. R. Dennis, G. Z. Chang, Numerical solutions for steady flow past a circular cylinder at Reynolds number up to 100, Journal of Fluid Mechanics, 42, 471-489, 1970. 14. B. Fornberg, A numerical study of steady viscous flow past a circular, Journal of Fluid Mechanics, 98, 819-855, 1980. 15. X. He, G. Doolen, Lattice Boltzmann method on curvilinear coordinates system: flow around a circular cylinder, Journal of Computational Physics, 134, 306-315, 1997. 16. S.F. Hoerner, Fluid-Dynamic Drag, published by the author, 1958.
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A COUPLED DEM/CFD STUDY OF SUCTION FILLING

Yu Guo, Chuan-Yu Wu, Colin Thornton
School of Chemical Engineering, University of Birmingham, Birmingham, B15 2TT, UK
A numerical method based on coupling the Discrete Element Method (DEM) with Computational Fluid Dynamics (CFD) was established to simulate suction filling of powders. The effect of suction on the powder flow behaviour was examined. The numerical analysis was found to be in good agreement with previous experimental observations, demonstrating that the coupled DEM/CFD was capable of modeling the rapid and smooth flow process during suction filling.
INTRODUCTION Suction filling is a typical stage in some manufacturing processes, such as in pharmaceutical tabletting and powder compaction in ceramics and powder metallurgy. During suction filling, a movable punch, which initially occupies the die cavity, moves downwards to create a partial vacuum environment below the powder mass. The induced pressure gradient sucks the powder into the die. Previous experimental studies showed that the powder flow rate could be significantly improved in suction filling [1]. In this study, suction filling was numerically analyzed using a coupled DEM/CFD approach, which has been proved to be robust in modeling powder flow in the presence of air [2, 3]. The effect of suction kinematics on the powder flow behavior was then investigated by comparing suction filling with conventional gravity filling.
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THE COUPLED DEM/CFD METHOD The Discrete Element Method (DEM) is employed to model the dynamics of solid particles. The translational and rotational motions of each particle are governed by Newtons equations of motion. The particles considered in this study are assumed to be elastic and frictional, and the particle interactions are according to classical contact mechanics [4], in which the theory of Hertz is used to determine the normal force and the theory of Mindlin and Deresiewicz is used for the tangential force. The air-particle interaction force can be described in the form
fapi = vpi p + vpi + fdi
(1)
where vpi is the volume of particle i , and p , , and fdi are the local air pressure, viscous stress tensor, void fraction and drag force, respectively. The air is treated as a continuum and modelled using Computational Fluid Dynamics (CFD), in which the continuity and momentum equations
( a ) t + ( a u ) = 0
(2) (3)
( a u ) t
+ ( a uu ) = p + Fap + a g
are solved to obtain the air density a and air velocity u. In Eq. (3), the fluidparticle interaction force per unit volume, Fap , is obtained by summing up the fluid-particle interaction forces fapi acting on all the particles in a fluid cell, nc , and dividing by the volume of the fluid cell Vc, thus
Fap =
nc
i =1 api
) V
(4)
The detailed description of this coupled DEM/CFD approach was provided in [5]. A 2D numerical model of suction filling is shown in Fig. 1a. The top of the punch, which is modeled using a physical wall, is initially located at the level of the die opening. During the filling process, the punch moves down at a constant velocity (vp), allowing the deposition of powder into the die. A die of dimensions 24 mm is filled by a monodisperse powder system with a particle diameter of 50 m and a particle density of 1500 kg/m3 from a 5 mm wide shoe. The spherical
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particles are assumed to be elastic with Youngs modulus of 8.7 GPa and Poissons ratio of 0.3. The physical walls are also elastic with Youngs modulus of 210 GPa and Poissons ratio of 0.3. Both interparticle and particle-wall friction coefficients are set to 0.3. The powder bed is color-banded in order to visualise the macroscopic flow patterns. A CFD scheme is incorporated to consider the effect of suction. Fig. 1b shows the schematic diagram of the computational mesh of the fluid field and the boundary conditions. The field is partitioned uniformly using identical cells. The die and shoe walls are treated as impermeable static wall boundaries without slip (denoted as Cell 3). The top of the system is open to the atmosphere, so that continuous air flow boundary (Cell 6) is assigned. During the suction filling process, the air flows into the die with the downward movement of the punch but it can not penetrate the top of punch. Hence, the cells, which are located just below the top of punch, are assigned as impermeable moving wall boundary cells (Cell 2). On this boundary, the normal air velocity is equal to the punch velocity (vp) and the tangential air velocity is zero (no-slip boundary). The cells below the moving wall boundary in the die are temporarily inactive, and they will be activated gradually as the punch moves downwards.
Shoe
Top of punch
Die
Punch
vp
(a)
Inactive cells
(b)
Fig. 1 (a) The numerical model for suction filling with a stationary shoe and (b) schematic diagram of the computational mesh of the fluid field and surrounding boundary conditions.
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The procedure to update the fluid cells in the die region during suction filling is illustrated in Fig. 2. As the top of punch moves down from the current layer to the layer below, the newly approached cells are activated as interior fluid cells (1). At the same time, the cells immediately below the interior fluid cells are set to be impermeable moving wall cells (Cell 2). This procedure continues until the top of punch reaches the bottom of the die, and then the punch stops and the impermeable static wall boundary with zero air velocity (Cell 3) is specified at the bottom.
Top of punch
vp
vp
Fig. 2 The update procedure of the fluid cells in the die region. RESULTS AND DISCUSSION
Figure 3 shows a comparison of the powder flow patterns during gravity filling in air and suction filling with a punch velocity of vp=276 mm/s. The cumulative mass of particles delivered into the die as a function of filling time is plotted in Fig.4 for the different filling processes. During gravity filling in air, the air can be entrapped inside the die and the build-up of air pressure hinders the flow of powder into the die (Fig.3a). Two air bubbles are then formed close to the die walls, resulting in a thin powder flowing stream at the centre. Therefore, a much lower filling rate is obtained for gravity filling in air (Fig.4). As the air bubbles rise up, the deposition of powder is inhibited further (Fig.3a) and some particles can even be blown out from the top of die, leading to a slight decrease in mass of particles in the die (Fig.4). When the air bubbles move to the shoe region, the powder can flow into the die again and the mass of particles in the die increases but at a slower rate. During suction filling, a continuous draw of powder plug into the die is obtained (Fig.3b), and a much higher filling rate is achieved by suction filling (Fig.4).
150
30.7 ms
56.2 ms
97.2 ms
230.1 ms
(a)
3.4 ms 6.8 ms 11.1 ms 17.9 ms
(b)
Fig.3 Power flow patterns during (a) gravity filling in air and (b) suction filling with vp= 276 mm/s.
Fig.4 Time evolutions of cumulative mass of particles deposited into the die.
Fig. 5 Air pressure distribution at t= 11.1ms during suction filling.
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The air pressure distribution at a specified time instant of t=11.1 ms during suction filling is shown in Fig. 5. It is observed that a lower air pressure environment is developed in the die region. A pressure gradient is then created with the air pressure decreasing from the top to the bottom, which facilitates the powder to flow into the die, so that a very high filling rate is obtained in suction filling (Fig.4).
CONCLUSIONS
A coupled DEM/CFD method has been employed to model suction filling. It is found that a lower air pressure environment is created below the powder mass with the downward motion of punch. As a result, the filling rate is significantly improved with suction filling, as observed experimentally.
ACKNOWLEDGMENTS
This work is funded by EPSRC through an EPSRC Advanced Research Fellowship awarded to CYW (Grants No: EP/C545230 and EP/C545249).
REFERENCES
1. S. Jackson, I.C. Sinka, A.C.F. Cocks, The effect of suction during die fill on a rotary tablet press, European Journal of Pharmaceutics and Biopharmaceutics, 65, 253-256, 2007. 2. Y. Guo, K.D. Kafui, C.-Y. Wu, C. Thornton, J.P.K. Seville, A coupled DEM/CFD analysis of the effect of air on powder flow during die filling, AIChE Journal, 55, 49-62, 2009. 3. Y. Guo, C.-Y. Wu, K.D. Kafui, C. Thornton, Numerical analysis of densityinduced segregation during die filling, Powder Technology, 197, 111-119, 2009. 4. C. Thornton, K.K. Yin, Impact of elastic spheres with and without adhesion, Powder Technology, 65, 153-165. 1991. 5. K.D. Kafui, C. Thornton, M.J. Adams, Discrete particlecontinuum fluid modelling of gas-solid fluidised beds, Chemical Engineering Science, 57, 2395-2410, 2002.
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A COMBINED CONTACT MODEL IN CDEM AND ITS APPLICATION IN BLASTING ENGINEERING

Chun Feng, Shihai Li, Xiaoyu Liu
Institute of MechanicsChinese Academy of Sciences
To improve the efficiency of contact detection and simplify the calculation steps of contact forces, a new type of vertex-face & edge-edge combined contact model is presented. According to thus model, the contact force could be calculated directly (the information of contact type is not necessary), and the failure judgment could be executed straight (each face vertex and face edge own their characteristic areas). A numerical case in blast engineering is demonstrated to show the validity and accuracy of this model.
INTRODUCTION Continuum-based Discrete Element Method (CDEM) is a numerical approach to simulate the progressive failure of geological mass [1], while false contact and block embedding will take place when the large translation and rotation of blocks occurs. To solve the problem above-mentioned, a combined contact model is introduced to CDEM. The direct method, common plane method, penetration edge approach, and incision body scheme are the 4 typical way to detect the contact relationship between blocks [2-6], while the final destination of contact detecting is to calculate the contact force. Four steps should be taken if any method above-mentioned is adopted: (1) contact state judgment (if contact or not); (2) contact type determina-
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tion; (3) contact area calculation; and (4) normal and tangent contact force solving. Each step costs lots of calculating time, so it is an important thing to give an efficient contact model and simplifying the computation steps. CONTACT DETECTION METHOD To find the contact relationship between blocks, vertex-face and edge-edge combined contact model is established. Different from other contact detection methods, vertexes and edges of each block is set on the face (shown in Figure 1), named face vertex and face edge respectively. For an example, a cubic contains 24 face vertexes and 24 face edges. The distance from face vertex to block vertex is about 1%-10% of the distance from block vertex to face center, and each face edge consists of two face vertex. According to this approach, vertex-face and edge-edge contact could be easily founded.
Face center
Face vertex Block vertex
Face edge Block edge
Fig 1. Face vertexes and face edges in a block Figure 2 shows the relationship between mother face and target face. Because the face vertex is set on the face, when search the target face for face vertex A, face A is the mother face, block A is the mother block, Face B is the target face, block B is the target block, and the interpolated node in face B locates the same position with face vertex B. When search the target face for face vertex B, the opposite situation takes place.
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Face Vertex A
Face vertex B
Face A Block A Contact spring
Face B Block B
Fig 2. Relationship between mother face and target face For searching the vertex-face contact, face vertex linked list is created. When the distance from face vertex (from mother block) to face (from quasi target blocks) is less than the limit value and the face vertex is also in the quasi target face, this face is considered the target face and the interpolated node, interpolated coefficient is calculated then. To avoid face vertex imbedding into a target block, once a face vertex is inside a block, search the face nearest to the face vertex immediately and set this face as target face, then calculate the interpolated node, interpolated coefficient. For searching the edge-edge contact, face edge linked list is created, and the main steps are similar to the vertex-face contact model. The key step of edge-edge contact model is to determine the distance and intersection point between two dissenting beelines. DEMOLITION OF COOLING TOWER UNDER BLASTING The height of this cooling tower is 123.2m, with the bottom diameter 90.7m and top diameter 54.1m. The property of the block is shown in table 1, and the property of contact is the same as the block. The collapse of the cooling tower after blasting lasts about 11 s, the same as the actual process. The numerical result is shown in figure 3, and the actual process is shown in figure 4.
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Density
Elastic modulus
Poisson ratio / 0.25
Cohesion
Friction
Tension
Dilation
kg / m3
2550
GPa
38
MPa
6
Deg
45
MPa
4
Deg
15
Table 1. Parameter of block
(a) 1 s after blasting
(b) 3 s after blasting
(c) 5 s after blasting
(d) 7 s after blasting
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(e) 9 s after blasting
(f) 11 s after blasting
Fig 3. Numerical result
(a) 1s after blasting
(b) 3s after blasting
(c) 5s after blasting
(d) 7s after blasting
(e) 9s after blasting Fig 4. Actual process
(f) 11s after blasting
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The collapse process of numerical simulation is consistent with the actual. When the bottom surface of cooling tower touches the ground, the further movement of this part is prohibited. While the opposite part still keeps the same speed because of inertia, then the compression line occurs and compression-shear failure takes place. CONCLUSION A combined contact model is introduced, which consists of vertex-face contact model and edge-edge contact model. Different from other models, the vertex and edge is set on the face and owns the characteristic area. Based on the contact model above-mentioned, the numerical study about the demolition of cooling tower under blasting has been carried out. The numerical case not only shows the validity and accuracy of the combined contact model, but also explains the failure mechanism of cooling tower under dynamic loads. REFERENCES 1. Shihai Li, Xiaoyu Liu, Tianping Liu, et al. Continuum-based Discrete Element Method and its Applications [C].Beijing, DEM08, 2008:147-170. 2. S. Amir, Roozbeh, Kianoosh. Three-dimensional discontinuous deformation analysis (3-D DDA) using a new contact resolution algorithm [J]. Computers and Geotechnics, 2008, 35: 346-356. 3. P. A. CUNDALL. Formulation of a Three-dimensional Distinct Element Model Part I. A Scheme to Detect and Represent Contacts in a System Composed of Many Polyhedral Blocks [J]. Int. J. Rock Mech. Min. Sci. & Geomech. Abstr, 1988, 25(3): 107-116. 4. Itasca Consulting Group Inc. 3DEC-3D distinct element code [R]. Minneapolis, USA: Itasca Consulting Group Inc., 1987. 5. Y. M. Cheng, W. S. Chen, Y. H. Zhang. New Approach to Determine ThreeDimensional Contacts in Blocks System: Penetration Edges Method [J]. Int. J. Geomech. 2006, 6(5): 303-310. 6. Wang Jianquan, Lin Gao, Liu Jun. Static and dynamic stability analysis using 3D-DDA with incision body scheme [J]. Earthquake Engineering and Engineering Vibration, 2006, 5(2): 273-283.
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COMPUTATIONAL INVESTIGATION OF THE DISPERSION OF COHESIVE AGGREGATES

Graham Calvert, Ali Hassanpour and Mojtaba Ghadiri
Institute of Particle Science and Engineering, SPEME, University of Leeds, Leeds, LS2 9JT, UK
The aerodynamic dispersion of bulk powders is important for a number of applications including particle characterization, and the delivery of drugs via the lungs using Dry Powder Inhalers (DPIs). In this paper, the Distinct Element Method (DEM) and Computational Fluid Dynamics (CFD) are used to investigate the dispersion of cohesive aggregates in a uniform fluid flow. As expected, with increasing cohesion, it is progressively more difficult to disperse a loose aggregate. However, once the relative particle-fluid velocity is beyond a threshold, dispersion occurs quickly and approaches a completely dispersed state asymptotically. A dimensionless relationship between the fluid drag force and cohesion force, given by the JKR model, which includes the Weber number, is introduced and linked to the dispersion behaviour.
INTRODUCTION The aerodynamic dispersion of bulk powders is important in many industries such as pharmaceutical, bulk chemical and food. Currently, dispersion in the gas phase is receiving much attention with respect to particle characterisation and drug delivery via the lungs from dry powder inhalers (DPIs). The ability to control dispersion of a wide range of powders is an area of great interest and importance. However, it is recognised that the complete dispersion of fine cohesive powders is difficult due to the relatively large interparticle attraction forces, namely van der Waals, electrostatics and liquid bridge [1], compared to separating forces. Consequently, a great amount of energy is necessary to deform and disintegrate particle clusters completely to their primary constituents.
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Recently, Calvert et al. [2] reviewed aerodynamic dispersion of cohesive powders and highlighted the current state of theoretical and experimental understanding. Loosely aggregated particles suspended in fluid flows experience several kinds of forces caused by rapid acceleration, deceleration, turbulent eddies, impact on surfaces etc. In this paper the behaviour of a single loose aggregate cluster consisting of a number of particles that are accelerated in a uniform flow field is investigated. Furthermore, a dispersion model based on the balance between adhesive and disruptive forces, with the latter caused by the fluid drag force acting on the loose aggregate, is introduced. DISPERSION MODEL Aggregate dispersion occurs when the separating force acting on it exceeds the force which is binding the primary particles. Considering the motion of a sphere in a fluid, the drag force acting on an aggregate is given by:
F CD'
2 DAgg
f ur2
(1)
where F is the drag force acting on the particle, DAgg is the loose aggregate diameter, f is the fluid density, CD is the drag coefficient, and ur is the velocity of the fluid relative to the particle. In the range of aggregate size and fluid velocity of interest for dispersion, the particle Reynolds number is within the Newtonian regime; therefore, the drag coefficient can be regarded as a constant (CD = 0.44). To investigate the effect of surface energy on loose aggregate dispersion behaviour, the model of Johnson et al. [3] (JKR model) is used to define the pull-off force necessary to break an interparticle contact, POFF,
3 POFF R * 2
(2)
where and R* are the interface energy and the reduced radius of the two particles in contact, respectively. For surfaces of the same material the interface energy, = 2, where is the particle surface energy. Furthermore, if the loose aggregate is
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composed of monodispersed particles R* = R / 2 = d / 4, where d is the primary particle diameter. At this point, the dispersion ratio, DR, is introduced and defined as the ratio of the number of broken bonds to the initial number of bonds. DR = 1 means no bonds are present and the cluster has fully dispersed.
DR N 0 Nt N0
(3)
Additionally, the dispersion ratio, DR, is proportional to the ratio of the fluid drag acting on the spherical loose aggregate to the cohesive interparticle bond:
2 f DAgg ur2 2 DR CD' 3 d
(4)
Now considering the terms in Eq. (4), it is possible to introduce a dispersion index, DI, by dropping the constant terms and grouping the terms which define the Weber number:
DI
f DAgg ur2 DAgg
DAgg We d d
(5)
Therefore, the dispersion ratio is given by:
DAgg DR f We d
(6)
Hence, it is of interest to see whether the DI, which contains the Weber number, is related to particle dispersion in an accelerating fluid flow field. SIMULATION DETAILS To investigate the relationship described by Eq. (6), 500 particles were randomly generated in a spherical volume and brought together by applying a gravitational force to a point in space until a stable coordination number was achieved.
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The resulting spherical cluster has an aggregate diameter of 0.966 mm. Surface energy and particle friction was then progressively introduced between particles to the required level. Subsequently, the gravitational force was gradually removed from the particle assembly. The dispersion of this particle cluster has been investigated for a range of interface energies, 0.1 1.0 J/m2. Once the clusters are prepared, they are subjected to a uniform flow field with various fluid velocities. The particles and fluid properties used are shown in Table 1. Diameter (m) Density (kg/m3) Stiffness (N/m) Contact damping (-) Friction coefficient (-) Fluid density (kg/m3) Fluid viscosity (Pa.s) 100 2500 7.9104 0.16 0.3 1.225 1.810-5
Table 1. Particle and fluid properties. RESULTS AND DISCUSSION The dispersion ratio as a function of the relative velocity between the particles and the dispersing fluid is shown in Fig 1 for a range of interface energies. At low relative velocities the dispersion ratio is not sensitive to the fluid force, but once a threshold relative velocity is exceeded, the dispersion ratio quickly rises and approaches unity in an asymptotic fashion. As intuitively expected, with an increase in interface energy it becomes increasingly difficult to break bonds and disperse the particle assembly.
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1.0 0.8 DR (-) 0.6 0.4 0.2 0.0

0.1 J/m 0.2 J/m 0.3 J/m 0.4 J/m 0.5 J/m 1.0 J/m
20
40 60 80 100 120 140 160 Relative velocity (m/s)
Fig 1. Relationship between dispersion ratio and relative velocity between the fluid and particles for different values of interface energy after 310-4 s. In Fig 2, the dispersion ratio, DR, has been plotted as a function of the dimensionless dispersion index, DI, for different interface energies after 310-4 s. It is seen that there is a remarkable unification of the data obtained for the different interface energies. This indicates that the DI can be used to define the onset of cohesive aggregate dispersion due to acceleration by a fluid flow. 1.0 0.8 DR (-) 0.6 0.4 0.2 0.0 1 0.1 J/m 0.2 J/m 0.3 J/m 0.4 J/m 0.5 J/m 1.0 J/m 10 100 DI (-) 1000 10000
Fig 2. Relationship between dispersion ratio and relative velocity between the fluid and particles for different values of interface energy after 310-4 s.
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CONCLUSION Dispersion by acceleration in a uniform flow field is seen to be effective when the relative particle-fluid velocity is beyond a threshold value. In this case, dispersion of the aggregate occurs quickly and approaches a completely dispersed state asymptotically. The effect of particle surface energy has been investigated and as expected a greater relative velocity is necessary to disperse the aggregate with increasing particle bond strength. To analyse the effect of surface energy and loose aggregate diameter on particle dispersion, a model has been developed that relates the fluid resistance force acting on a sphere to the bond strength binding the particles. This approach leads to a dimensionless dispersion index which incorporates the Weber number for the aggregate and a second parameter for the size ratio between the aggregate diameter and primary particle diameter. The results of the numerical simulations have shown a good correlation between the number of broken contacts and the particle surface energy and loose aggregate diameter, as defined by the dispersion index, DI = We(DAgg/d). ACKNOWLEDGMENTS The financial support from the Engineering and Physical Science Research Council (EPSRC) and Malvern Instruments is greatly appreciated. REFERENCES 1. J. Visser, Van der Waals and other cohesive forces affecting powder fluidization, Pow Technol, 58(1): 1-10, 1989. 2. G. Calvert, M. Ghadiri and R. Tweedie, Aerodynamic dispersion of dry powders: A review of understanding and technology. Adv Pow Technol, 20(1): 416, 2009. 3. K. L. Johnson, K. Kendall and A. D. Roberts, Surface energy and the contact of elastic solid, Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences, 324(1558): 301-313, 1971.
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3 VERIFICATION AND VALIDATION
165
Simulating and optimizing of a ball mill by comparison between numerical discrete element method (DEM) and experimental method
B. Arabzadeh a, V. Hasanzadeh a, A. Farzanegan b
a
M. Sc. student of mineral processing engineering. Department of Mineral Processing Engineering, Mining Engineering Faculty, Tehran University, Iran.
b
Professor of mineral processing engineering. Department of Mineral Processing Engineering, Mining Engineering Faculty, Tehran University, Iran.
Nowadays, valuable simulations in types of mills for approaching to optimized efficiency have been drastic concern for mineral processing engineers in industrial plants. During the last ten years, a lot of studies have done on simulation and optimization of some types of mills. In this paper, the purpose is studying a three dimensional transparent ball mill in laboratory. The features of the mill are considered similar to bond mill. And using lucent liner makes a proper condition for assessing ball movements in length section of the mill. Then, the simulation of mill by discrete element method (DEM) is done; and, by comparison between numerical and experimental simulations the validation of DEM has been proved. Afterwards, optimizing of mill features has done by using DEM. The time for optimizing of mill features by numerical method is not as long as by experimental studies; therefore, we considered all features combinations for reaching to an adequate and optimized condition in our ball mill. Key words: ball mill; transparent; lucent liner; discrete element method.
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NUMERICAL AND EXPERIMENTAL INVESTIGATION OF PROGRESSIVE DEVELOPMENT OF A GRANULAR PILE OF BINARY SIZE PELLETS
Yaowei Yu* and Henrik Saxn Thermal and Flow Engineering Laboratory, Department of Chemical Engineering, bo Akademi University, Biskopsgatan 8, FI-20500 bo, Finland. *Corresponding author: E-mail: yyu@abo.fi
Granular conical piles consisting of a large number of particles of different size are frequently encountered in industry, and size segregation is known to occur as the piles are being formed. This work studies the shape, repose angle and size segregation of a pile of binary size pellets in small-scale experiments as well as computationally using the discrete element method (DEM). The simulations were found to be consistent with the experiments, which indicate the applicability of DEM for predicting the conditions at pile formation of spherical particles.
INTRODUCTION
The storage and conveying of granular materials in sandpiles and stockpiles are important industrial and engineering operations in dealing with granular matter, and the behavior (rolling, percolation, segregation, etc.) of the granular materials is of interest in the field of soil mechanics, chemical engineering, powder technology, pharmaceutical engineering, environmental sciences and mineral processing. A deeper understanding of the static and dynamic mechanisms of pile formation could contribute remarkably to the development and enhance the efficiency of various production technologies. Along with significant progress in the computational power and algorithms, the discrete element method (DEM) is becoming a mature and feasible numerical method for analyzing discontinuous media since its original development by Cundall and Strack.[1] Today DEM calculations can be made even on a personal computer. Recently, DEM has been extensively applied to simulate different granular flows in the industries, modeling drum mixers[2], fluidized beds[3] and hopper charging and discharging flow.[4] Herrmann[5] proposed a simple 1-D model to calculate the
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reposed angles of a conical pile considering the segregation of different types of particles. Matuttis[6] modeled granular piles in two dimensions using the molecular dynamics method with convex polygons and pointed out that the repose angle is dependent on the size dispersion of the particles and the minimum pressure appears under the apex of the pile. Other researchers, including Zhou et al.[7], Brockbank et al.[8], Majmudar,[9] Cates et al.[10], Zuriguel[11] and Oron[12] focused on the force (stress or pressure) distribution in the pile. Although many researchers have studied conical[5] and wedge-shaped piles[13] the shape and repose angles of the pile, as well as the size distribution along the radial direction have not attracted much attention in DEM studies. In order to understand the behavior of the particles in the pile in more detail, experimental work combined with numerical modeling should be applied.
DISCRETE ELEMENT METHOD

In the DEM, the inter-particle contact model applied is shown in Fig. 1. The contact is composed of a spring and a dashpot which correspond to the elastic and plastic nature of particles in the normal direction, respectively. In the tangential direction, the model consists of a slider, a spring and a dashpot. All particles in a granular system undergo translational and rotational motions which are generally described by Newtons second law of motion.
Fig.1 Simulation model for interaction forces between two contacting particles The motion of each particle is tracked, and interaction with other particles or boundaries is considered in the simulation. Forces (normal elastic force, tangential elastic force, tangential force, normal force and gravitational force) and torques are calculated based on interaction of particles and the physical properties of the entities,
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including the hardness of particles, expressed with a spring, and the particle energy dissipation, expressed with a dashpot.[14] The hardness of the particles and the dashpot are related to the Youngs modulus and the coefficient of restitution, respectively. The friction between entities is defined with a Coulombic type of friction, limited below by the maximum static friction and implemented with a friction factor based on the physical properties. The particle forces and torques are calculated which lead to new particle movement and new positions. Additionally, all the forces and the torques involved in motion are given by the EDEM[15] software applied in this study. The general procedure for each run of simulation of the formation of the pile was as follows: As for the shape simulation, 5501 spherical particles (1.5 mm diameter) and 3116 spherical particles (3.5 mm diameter) were mixed uniformly and adequately and charged without overlap into the hopper before the simulation began. The particles were then allowed to flow out under gravity (with the gravitational acceleration g = 9.81m/s-2 in the negative z axis direction) from the exit of the hopper at the bottom, and formed a pile on a horizontal steel plane until the hopper was emptied. In order to reduce size segregation of particles during charging into the hopper, a special filling method was applied, namely the layer (fines over coarse) as shown in Fig. 2B. As for size distribution simulation a transparent plane (plexiglass, II in Fig. 2A) was inserted along the radial direction and the particles were discharged into one side of the transparent plane through an inclined plane (I) at the exit of the bottom of hopper. The simulation was conducted with a constant time step (410-5 s) and the numerical solution required about 3 hours of computation time on a personal computer.
EXPERIMENTAL METHOD AND EQUIPMENT

The experiments were divided to two parts: the evolution of pellet pile and size distribution in the pile. The evolution of the pellet pile was observed by using a high speed digital video recorder as shown in Fig. 2.C. Before the experiment, 5501 spherical pellets (1-2 mm in diameter) and 3116 ones (3-4 mm in diameter) were mixed fully and put into the hopper. A stopper at the bottom was removed and the particles exit the bottom and formed a pile on the steel plane, as shown in Fig. 2.C. The video camera was used to film the pile formation process. The shape of the pile was characterized by two parameters, namely the diameter
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of the bottom of the pile (D) and the height of the apex from the bottom (H). One ruler in the horizontal and another in the vertical
Fig. 2 Geometry of calculation area (A: whole structure of simulation, B: fines over coarse in hopper, C: schematic of experiment setup) direction (cf. Fig. 2.C) were used to measure D and H, respectively. From the diameter and the height, repose angle (a) of the conical pile can be calculated from equation 1. When the experiment was completed, the pictures of evolution were obtained from the video camera and were compared with the simulated results. = atan /2 (1) The procedure of determining the size distribution along the radial direction of the pile is the same as in the simulation of this part. The camera recorded the video of the pile along the radial direction. The pile was separated into five subregions along the radial direction as shown in the uppermost panels of Fig. 5. For every subregion, j, the length of which was chosen as six times of the large size particle (i.e., 6d2), the mass ratio of the particles with small diameter was calculated as s = + ; j=1, 2, ,5 (2) where ms and ml are the mass of one small pellet and one large pellet, respectively, and N and M denote the number of small and large pellets, respectively, and their values were obtained by calculating their numbers on the pictures.
l s
COMPARISON BETWEEN EXPERIEMNTAL RESULTS
SIMULATION
AND
The evolution of the pellet pile profiles can be observed from the photos taken
170
during the experiments and by images from the simulations, as shown in Fig. 3a-f, corresponding to different times, in which the left profiles (A) are those of the experiment and the right ones (B) are those of the simulations. In the simulation, 67 particles (62 small and 5 large ones) came out the calculating area and the situation is similar to what was observed for the experiment, where 58 (7 large and 51 small) were not recorded by the video camera. From the photographs in Fig. 3a-f, the experimental flow rates out of the hopper is seen to rise at the beginning (t = 0.5 s) and keep almost the same value with the simulation before t = 3.2 s and the rate reduces clearly for t > 3.2 s. The changes of the simulated flow rates are similar to those of the experiment. Comparing subfigures A and B, the profiles of the piles are quite similar between experiment and simulation from t = 1.2 s to t = 5.21 s, except at 0.5 s: The diameter of the bottom of the pile (D) at different times has almost the same values in the simulation and the experiment. Thus, the snapshots indicate a good consistency in terms of the shape of pile between experiments and simulations. A comparison of the diameter, width and repose angle of the pile for the experiments and the simulations is presented in Fig. 4. The diameter, width and repose angle all increase with the growth of the pile. The repose angle reaches its maximum at t = 3.2 s, the diameter its maximum at t = 5.2 s and the height at t = 4.2 s. This indicates that pellets slide along the inclined surface of cone and the inclined surface collapses at t = 3.2 s, so the repose angle decreases and the diameter grows. Comparison between experiment and simulation shows good agreement between repose angles, and also for pile width and diameter, although some occasional deviations are observed for the latter ones, e.g., at t = 2.2 s and at t = 3.2 s. Still, the results indicate overall agreement between experiments and simulations. Figure 5 shows a comparison between video images of experiments and simulation screenshots studying the size distribution of the pellets along the radial direction at different times. In the beginning, there are only individual coarse particles distributing along the surface of the transparent glass. The fines start to flow out from the exit of the hopper and pile on the large particles at t = 2.1 s. With increasing number of small particles, they mainly percolate into the space between the coarse ones and distribute in the centre part of the pile (cf. t = 2.1 s and 3.5 s). At the same time, there is not much space for large particles to percolate into the pile, so they slide along the free surface and primarily distribute at the bottom and the free surface of the pile. This is consistent with general observations of segregation is piles and also with what was
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proposed by Drahun and Bridgwater.[16].
a. (t = 0.5 s)
3.55 cm
6.29 cm b. (t = 1.2 s)
c. (t = 2.2 s)
7.32 cm
8.18 cm d. (t = 3.2 s)
There is almost the same distributions of fines and coarse in the pile in the experiments and simulations. An overall comparison of size segregations is plotted in Fig. 6. Figure 6 plots the size segregation of pellets along the radial direction at t = 15.4 s for the experiment and at t = 15.9 s for the simulation. The mass fraction of fine particles represents only about 30% at the bottom of the pile while it is about 70% at the apex. Conversely, the shares of large particles are 70% and 30% at the pile bottom and apex, respectively. Comparing the results for the five subregions (cf. topmost part of Fig. 6), the experimentally determined fractions of fine particles at the
9.97 cm 10.05 cm e. (t = 4.2 s) f. (t = 5.2 s) Fig. 3 Comparison of pellet piles in experiments and simulations (Left: experiment, Right: simulating)
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left part of the pile are larger than the corresponding simulated values, while the opposite holds true for the right part of the pile.
The height and width (H:cm)
10 8 6 4 2 0 0 1 2
H in Exp. D in Exp. a in Exp. H in Sim D in Sim a in Sim
0.7 0.5 0.4 0.3 0.2 0.1 0.0

Fine mass fraction (x,%)
0.6
Repose angle (a:arc)
Fig. 4 Comparison of H, D and a of pellet pile Fig.6 Size segregation along the radial direction in experiment and simulation at t = 15.4 s for experiment and t = 15.9 s for simulation.
3 Time (s)
1.0 0.9 Exp. Sim 0.8 0.7 0.6 0.5 0.4 0.3 0.2 0.1 0.0 Left bottom Mid
Centre Mid Position of pile
Right bottom
This may be due to some asymmetry in the flows of the experiment. However, on the whole, there is a good agreement between the experiments and simulations, which indicates that DEM can be used to predict the properties of a pellet pile.
CONCLUSTIONS
The present work has used the discrete element method (DEM) and experimental methods to investigate the behavior of binary size pellets at the formation of a pile. The shape of pile (the height of the apex and the width of the bottom) as well as the size segregation along the radial direction were measured in the experiment and compared with results from DEM simulations. From the presented results the following conclusions can be drawn. 1. The discrete model used for the binary size pellet pile prediction was successfully validated through comparison between results from experiments and simulations. It was demonstrated that DEM can be applied to predict the evolution of pile formation, including the outflow of the particles from the feeding hopper. 2. In the pile formation process, the fines mainly percolate into the space between the coarse particles and concentrate in the centre part of the pile,
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while coarse particles slide along the free surface, move toward the bottom of the pile and primarily distribute at the bottom and on the free surface of the pile.
a. t = 0.7 s in experiment, t = 0.7 s in simulation b. t = 2.1 s in experiment, t = 2.1 s in simulation
c. t = 3.5 s in experiment, t = 3.5 s in simulation d. t = 5.3 s in experiment, t = 5.4 s in simulation
e. t = 8.6 s in experiment, t = 9.5 s in simulationg. t = 10.0 s in experiment, t = 14.3 s in simulation
Fig. 5 Comparison between experimental and simulation size distribution pellets along the radial direction at different times. The topmost panels show the radial regions studied in Fig. 6.
h. t = 15.4 s in experiment, t = 15.9 s in simulation j. Size distribution
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REFERNCES
[1] Cundall PA, Strack ODL. A discrete numerical model for granular assemblies. Geotechnique. 1979;29(1):9. [2] Stewart RL, Bridgwater J, Zhou YC, Yu AB. Simulated and measured flow of granules in a bladed mixera detailed comparison. Chemical engineering science. 2001;56(19):15. [3] Kaneko Y, Shiojima T, Horio M. DEM simulation of fluidized beds for gas-phase olefin polymerization. Chemical engineering science. 1999;54:13. [4] Nguyen VD, Cogn C, Guessasma M, E. Bellenger a JF. Discrete modeling of granular flow with thermal transfer: Application to the discharge of silos. Applied thermal engineering. 2009 Discrete modeling of granular flow with thermal transfer: Application to the discharge of silos;29:8. [5] H.J.Herrmann. Shapes of granular surfaces. Physica a. 1999;270:6. [6] Matuttis H-g. Simulation of the pressure distribution under a two-dimensional heap of polygonal particles. Granular matter. 1998;1:9. [7] Zhou YC, Xu BH, Zou RP, Yu AB, Zulli P. Stress distribution in a sandpile formed on a deflected base. Advanced powder technology. 2003;14(4):10. [8] Brockbank R, Huntley JM, R.C.Ball. Contact force distribution beneath a three-dimensional granular pile. Journal de physique II. 1997;7:12. [9] Majmudar TS, Behringer RP. Contact force measurements and stress-induced anisotropy in granular materials. Nature. 2005;435(23):4. [10] Cates ME, J.P.Wittmer, Bouchaud JP, Claudin P. Development of stresses in cohesionlesspoured sand. Philosophical transactions of the royal socity. 1998;356(22):27. [11] Zuriguel I, Mullin T. Effect of particle shape on the stress dip under a sandpile. physcial review letters. 2007;98:4. [12] Oron G, H.J.Herrmann. Exact calculation of force networks in granular piles. physical review E. 1998;58(2):11. [13] Li E, Bagster DF. A new block model of heaps. Powder technology. 1990;63:7. [14] Renzo AD, Maio FPD. Comparison of contact-force models for the simulation of collisions in DEM-based granular flow codes. Chemical engineering science. 2004;59:17. [15] WWW.dem-solutions.com. DEM Solutions Limited. [16] Drahun JA, Bridgwater J. The mechanisms of free surface segregation. Powder technology. 1983;36:15.
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PARTICLE SHAPE EFFECTS IN MEDICAL SYRINGE NEEDLES EXPERIMENTS AND SIMULATIONS FOR POLYMER MICROPARTICLE INJECTION
Mark Whitaker1, Paul Langston2, Steve Howdle1, Barry Azzopardi2
1. University of Nottingham, Chemistry 2. University of Nottingham, Faculty of Engineering, Process & Environmental Division
Experiments on injection of PLGA polymer particles have shown that jamming is a problem under some conditions. It is postulated that particle shape could be a significant factor. 2D DEM simulations of circles, and semi-circles approximated by rounded polygons, are used to demonstrate the effect of shape on jamming. Preliminary experiments on glass spheres and polymer hemi-spheres show good agreement with simulations of normally distributed particle sizes.
INTRODUCTION Medically approved polymers are commonly used to make drug encapsulated microparticles for subcutaneous injection into the human body1. Such particles are usually spherical and are made by double emulsion2 and spraying techniques3. Often overlooked is the administration of these microparticles, via hypodermic syringe with a medical gauge needle. Large needle sizes are often employed to eliminate blockages; however this approach is cautious, when perhaps smaller sizes can be used to improve patient comfort. Therfore, the effects of particle shape and size need to be understood when they pass through a needle orifice.
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Two types of particle shape are investigated, spherical and hemi-spherical; to see what effect they have in terms of jamming. Both these shapes have initially been made using the Particles from Gas Saturated Solution Technique, PGSS, where supercritical CO2 under mild temperatures and pressures has been used to atomise the polymer Poly(lactic-co-glycolic acid), PLGA, into microspheres though the aid of a nozzle4. These particles can be further processed to make hemispheres. A hemi-spherical particle has the benefit of secondary plasticisation, which reduces its internal pore size giving a better release characteristic over a spherical one. Both types of particles have blocked under initial injection testing with narrow gauge needles (25 & 23G) compared with larger ones (21 & 19G). A balance must be struck between using the narrowest needle to minimize discomfort for the patient and the largest available particle size that can be injected. Generally, the larger the particle, the more likely the encapsulated drug will remain in the polymer- preventing a dose dump effect after injection. This study compares results of polygon DEM 2D simulations with experiments on syringe flow in terms of whether jamming occurs. It is recognized that 2D has significant limitations but previous studies5,6 have shown it to be useful in initial assessments. Comparable 3D simulations are being developed. Several techniques to model non-spheres are evolving in DEM as reviewed by Dziugys and Peters7. POLYGON DEM MODEL The basic form of this DEM model6 is fairly standard with a linear spring and dashpot contact mechanics approach and has been applied to hopper flow. It is essentially a 2D model with a fixed particle thickness in the 3rd dimension. An example of the polygon DEM model used here to model the hemi-spheres is shown in Fig 1. It should be noted that the vertices are rounded. This is to facilitate the model and to acknowledge that real granular particles do not contain perfect vertices. In this study cohesion is negligible, contact damping is assumed quite high due to the interstitial liquid, and a moderate value of friction is assumed. Gravity flow is used to replicate the syringe flow. The side walls of the DEM vessel are at 4 to vertical measured on a needle cross-section.
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Fig 1. Snapshot of 2D DEM model replicating syringe flow showing blockage of Circles and Semi-Circles in 23G Needle, and close-up of modeling polygon. EXPERIMENTS Injection Testing Procedure: The injections must perform within the acceptable user limits (10N) for a 1mL syringe8; if this value was exceeded then the injection was deemed a blockage. A TA HD Plus texture analyser (Stable Micro Systems, Goldaming, UK) was used to measure the force of injection as a function of syringe plunger movement. The particles were suspended in an injection vehicle (Water with 1.5% Carboxymethyl cellulose, 0.9 % Sodium Chloride), with a dose of 200 mg/mL. The temperature of the injection vehicle was controlled at 10 C giving a viscosity of 0.13 0.01 Pa.s. Three repeats were taken for each sample tested. Modelling and Experiment: Monodisperse and normal distributions were simulated using DEM. Distributions were then experimentally tested with a 23G needle. To achieve quick results glass spheres were used in a variety of sieved distributions, whereas polymer hemi-spheres were made using the secondary plasticisation process. The size range of the nominal sieved fractions were more accurately measured using laser diffraction and were approximated by normal distributions truncated to describe 80% of the particle population in the simulation.
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Fig 2 Left: SEM of glass spheres Sieved in the nominal range 75-80 m. Right: PLGA Hemispheres Sieved in the nominal range < 100 m. MODEL AND EXPERIMENTAL RESULTS Mono-sized simulation. Table 1 shows the critical particle size to just cause jamming for the simulations of near mono-sized systems. These show that the semi-circles are more likely to block in terms of particle size based on area ie amount of material in the particle. The size ratio needle to particle is fairly constant.
Needle Gauge 25 23 21 19 B (m) 260 340 510 690 Circles dp (m) 67 91 127 222 B/dp 3.88 3.73 4.02 3.11 dp (m) 88 112 168 247 Semi-Circles B/dp 2.96 3.04 3.04 2.79 de (m) 62 79 119 175 B/de 4.19 4.30 4.29 3.94
Table 1. DEM predictions for blockage of circles and semi-circles for four common medical gauge needles. B: Needle inner diameter. dp: Critical particle diameter. de: Equivalent area circle diameter for semi-circles.
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Normal Particle Size Distribution. Tables 2 and 3 show a comparison of experimental and 2D DEM results of spherical and hemi-spherical particles. These show a very good agreement for the glass spheres and reasonable agreement for polymer hemi-spheres.
Nominal Sieve Range (m) Set I: 75-80 Set II: 75-80 d10 (m) 50.32 62.25 d90 (m) 85.47 87.66 DEM F B Experiment 3*F 3*B
Table 2 Comparison of DEM and Experiment for a range of glass sphere distributions through a 23G needle d10 10% of particles below this size, d90 90% of particles below this size, F indicates flow, B indicates blockage, 3 * F indicates 3 repeated experiments all showing flow.
Nominal Sieve Range (m) <100 100-150 d10 (m) 35.75 35.97 d90 (m) 108.94 143.96 DEM F B Experiment 2 *F & 1*B 3*B
Table 3 Comparison of DEM and Experiment for a range of polymer hemi-sphere distributions through a 23G needle. CONCLUSION The flow and jamming phenomena in the syringe injection of polymer micro particles is reasonably represented by the 2D circle and polygon DEM simulations. DEM simulations of near mono-sized particles showed that the semi-circles are more likely to jam as expected from previous experiments. Experiments here injecting glass spheres and polymer hemispheres gave reasonable agreement with the DEM. Further work is required using 3D DEM. ACKNOWLEDGMENTS We would like to thank BBSRC and Critical Pharmaceuticals for financial support for this project.
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REFERENCES 1. M.J. Rathbone, J. Hadgraft, M.S. Roberts, M.E. Lane, Modified-Release Drug Delivery Technology, 2nd ed. 2008. 2. Zhang , J.X., and Zhu, K. J. , An improvement of double emulsion technique for preparing bovine serum albumin-loaded PLGA microspheres. Journal of Microencapsulation, 2004, Vol. 21, No. 7, Pages 775-785. 3. J. Kerc, S. Srcic, Z. Knez, P. Sencar-Bozic, Micronization of drugs using supercritical carbon dioxide. International Journal of Pharmaceutics, 182(1), 3339, 1999. 4. H. Jianyuan, M.J. Whitaker, B. Wong, G. Serhatkulu, K.M. Shakesheff, S.M. Howdle, Plasticization and spraying of poly (DL-lactic acid) using supercritical carbon dioxide: Control of particle size, Journal of Pharmaceutical Sciences, 93(4), 1083 -1090, 2004. 5. F.Y. Fraige, P.A. Langston, G.Z. Chen, Distinct element modelling of cubic particle packing and flow, Powder Technology, 186, 224-240, 2008. 6. F.Y. Fraige, P.A. Langston, A.J. Matchett, J. Dodds, Vibration induced flow in hoppers: DEM 2D polygon model, Particuology, 6, 455-466, 2008. 7. A. Dziugys, B. Peters, An approach to simulate the motion of spherical and non-spherical fuel particles in combustion chambers, Granular Matter, 3, 231-265, 2001. 8. ISO 7886-1 1993 (E), Sterile hypodermic syringes for single use - Part 1: Syringes for manual use.
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EXPERIMENTAL VALIDATION OF POLYHEDRAL DISCRETE ELEMENT MODEL

Stuart Mack1, Paul Langston2, Colin Webb1, Trevor York3
1. School of Chemical Engineering and Analytical Science, University of Manchester 2. University of Nottingham, Faculty of Engineering, Process & Environmental Division 3. School of Electrical and Electronic Engineering, University of Manchester
Experiments on small scale 3D hopper flow of polyhedral dice are compared with DEM simulations of rounded polyhedra. Reasonable agreement is shown in terms of flowrate and critical orifice required for flow. All DEM parameters were set up to match the particle properties prior to undertaking hopper experiments.
INTRODUCTION DEM is now widely used to model granular flow. Most models consider particles as spheres and produce useful results, but an increasing number model nonspheres1. This can extend the applicability of the technique and aid our understanding of the important physics. This paper summarises a method in which particles are modelled as polyhedra with rounded edges and vertices. Laboratory experiments are very useful in helping to show the validity of models such as DEM2. Other methods include coding checks, comparison with other types of models such as continuum methods, conservation of energy and compari-
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son with full-scale industrial plant. This paper makes a direct comparison between the model and non-cohesive polyhedral dice with no fitting-parameters. Several techniques to model non-spheres are evolving in DEM granular flow as reviewed by Dziugys and Peters1. These include ellipsoidal particles, spherocylinders, superquadrics and hyperquadrics, polar shape in 2D, skeleton shape, polygons, composite particles- glued spheres or other shapes, or overlapping spheres modelled as a single particle, and virtual space method in which the field of interest is described by a large number of cells. Each particle encloses a number of cells. Contact occurs when one or more cells are assigned to more than a single particle. Investigations in the flow of polyhedral particles provide a basis for extending our work on the flow of sensor-shapes in a discharging hopper filled with spheres5. POLYHEDRAL DEM MODEL The basic form of this DEM model is fairly standard with a linear spring and dashpot contact mechanics approach3. Fraige et al4 describes a DEM polygon model and its application to hopper flow. The polyhedral model is an extension to the polygon model. An example of the polyhedron DEM model is shown in Fig 1. It should be noted that the vertices are rounded, and hence the edges are correspondingly rounded. This is to facilitate the model and to acknowledge that real granular particles do not contain perfect vertices. For each type of polyhedron the user specifies the vertex positions, vertex radius and. triangulation data. The particle can be imagined as a series of triangles with cylindrical edges and spherical nodes. Irregular polyhedra can be modelled but each particle must be convex. A cohesion distance is defined surrounding the outer surface. The material density is specified and the program calculates numerically the mass, centre of gravity and moment of inertia tensor. Spherical particles can be included. For every pair of close particles (tested by intersection of enclosing spheres) the model tests for intersection of nodes, edges and triangle faces. For a contact the normal direction is then readily determined. The interaction may comprise a
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number of contact points at which a normal force is applied. In such a case the area of contact is calculated and the cohesive force is modified as a function of contact area in a similar manner to the 2D model4. More details will be published later.
Fig 1. Snapshot of polyhedron DEM model of discharging hopper (side walls only shown for clarity) HOPPER EXPERIMENTS Experiments were conducted on a small 3D hopper constructed of perspex using 322 polyhedral dice. There is negligible cohesion and adhesion.
Fig. 2 LEFT: Photograph of polyhedral particles with curved edges, from top left to bottom right going across the page: octahedron, pentagonal trapezohedron, cube, icosahedron and tetrahedron. RIGHT: Photo of 3D hopper.
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The principal hopper and particle data are shown below.

Volume cm3 Density gcm-3 Side length cm Particle No. Pentagonal 90 2.73 1.65 trapezohedra Octahedra 31 2.57 1.56 1.76 Tetrahedra 29 1.05 2.19 2.08 Icosahedra 81 5.02 1.27 1.32 Cube 91 3.83 1.17 1.56 Friction coefficient 0.28 Coeff of restitution 0.54 Hopper half angle 30, 60, 90 Silo dimensions cm H = 60, W = 2.5, D = 45 Orifice length B cm 12 Orifice width cm 2.5
Table 1 Principal hopper and particle data The friction and damping coefficients were obtained by conducting tests on a cube. The cube was chosen as it was easier to drop on to its face. The friction coefficient was obtained by placing the cube on one of the side pieces from the 3D hopper and increasing the angle of the incline until it started to slide. The damping coefficient was obtained by dropping the cube from a height of 50cm onto a Perspex base and recording the rebound height. The hopper flow experiments were repeated ten times at orifice widths between 6cm and 12cm so that a critical orifice length at which blocking occurred could be deduced. RESULTS Fig 3 shows a comparison of the experimental and DEM results for hopper discharge for B=12cm. The experiments discharge somewhat faster, the 90o case is similar. Fig 4 shows the proportion of complete experimental discharges. At smaller B and generally larger , blockages are more likely to occur, similar to that shown in Fig 5. Initial DEM simulations for = 60o indicate that the critical
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orifize size for flow is about 10cm. Further simulations are required including sensitivity studies.
Fig. 3 The fraction of particles discharged against time for = 30, 60 & 90o B=12cm LEFT: the first three experiments, RIGHT: DEM
Fig. 4 The number of complete experimental discharges at each hopper half angle and orifice length
Fig. 5 Example of hopper blockage for = 60o B=10cm, LEFT: experiment, RIGHT: DEM pojected 2D graphic.
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CONCLUSION Reasonable agreement between DEM simulations and practical experiments on polyhedral dice has been shown using DEM data prior to hopper experiments, illustrating that the Discrete Element Method has the potential to predict the flow of many granular materials used in industry, such as in minerals processing. ACKNOWLEDGEMENTS The financial support from the UKs EPSRC is gratefully acknowledged. REFERENCES 1. A. Dziugys, B. Peters, An approach to simulate the motion of spherical and non-spherical fuel particles in combustion chambers, Granular Matter, 3, 231-265, 2001 2. F.Y. Fraige, P.A. Langston, G.Z. Chen, Distinct element modelling of cubic particle packing and flow, Powder Technology, 186, 224-240, 2008. 3. B.N. Asmar, P.A. Langston, A.J. Matchett, J.K. Walters, Validation tests on a distinct element model of vibrating cohesive particle systems, Computers and Chemical Engineering 26, 785-802, 2002 4. F.Y. Fraige, P.A. Langston, A.J. Matchett, J. Dodds, Vibration induced flow in hoppers: DEM 2D polygon model, Particuology, 6, 455-466, 2008 5. S. A. Mack, P. A. Langston, C. Webb, T. A. York, Modelling the trajectory of 3D sensor-shapes in discharging hoppers filled with monosized and binary mixtures: An experimental and DEM comparison, Abstract submitted to DEM5 The Fifth International Conference on Discrete Element Methods, 2526 August 2010, London.
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MODELLING THE TRAJECTORY OF 3D SENSORSHAPES IN DISCHARGING HOPPERS FILLED WITH MONOSIZED AND BINARY MIXTURES: AN EXPERIMENAL AND DEM COMPARISON
Stuart Mack1, Paul Langston2, Colin Webb1, Trevor York3
1. School of Chemical Engineering and Analytical Science, University of Manchester 2. Process and Environment Division, Faculty of Engineering, University of Nottingham 3. School of Electrical and Electronic Engineering, University of Manchester
Experimental and DEM simulations have been conducted for the flow of simple 3D individual sensor-shapes in a small 3D hopper. Flow of these individual particles replicating sensors in monosized spheres and binary mixtures of spheres having equal density and different density are compared.
INTRODUCTION Storing granular materials, especially for the food industry, for many weeks or months is necessary in order to provide sufficient food for an ever growing global population. The staple foods of many countries include wheat. Wheat grain is used in the making of bread, biscuits and some breakfast cereals and is stored in huge silos or in grain mountains. If the wheat is subjected to warm, damp conditions it can start to spoil, which makes it unfit to be used in food production. It is proposed to place wireless sensor particles in silos or grain mountains to determine the distribution of temperature and humidity of the wheat grain and transmit to a central computer.
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Fig 1. Sensor particles interacting with each other in a silo filled with wheat. Experimental and DEM simulations are being conducted to determine what density and shape these sensor particles should have, so that they move in synch with the surrounding grain. To simplify the problem, both computationally and experimentally, spherical particles are being used for the bulk material. Rotter[1]et al. placed free cells in rectangular silos to determine the pressures during fill. Chehata[2] et al. have investigated the flow around a fixed cylinder placed in a rectangular silo. Tzn and Nedderman[3] observed granular flow around fixed triangular and square inserts. DEM MODEL The basic form of the DEM model uses the linear spring-dashpot contact mechanics developed by Langston[4] et al.. To reduce the run time the en masse fill method [4] is used. The program has been modified to include the sensor particles modelled as cylinders or polygon prisms which maintain their major axis orientation. HOPPER EXPERIMENTS Practical experiments are being conducted in a small 3D hopper with three different sizes of particle and three different simple sensor-shapes having three different densities (Fig. 2).
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Fig. 2 Photographs of: small 3D silo; sensor-shapes, made of metal and perspex and a hollow set; bulk particles The sensor-shapes are placed at twelve different points in the hopper, so that comparisons can be made between their trajectories and the trajectory of a single particle. From the comparisons deductions can be made about how the sensor density and shape affect the flow of the sensor-shapes. DEM AND EXPERIMENTAL COMPARISON DEM simulations and practical experiments of single particles rolling and sliding down inclines have been compared to determine particle model parameters. Comparisons between simulations and experiments to determine the wall stresses and mass flow rate in the hopper will be published in a future paper. The principal hopper and particle data is given in Table 1.
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Particles black
Diameter cm Density gcm -3 Particle-Particle sliding friction rolling friction Particle-Wall sliding friction rolling friction Particle stiffness Nm -1 Coeff of restitution Angle of repose between rig sides Angle of repose in heap No.of particles N 26 20 27 19 50000 28 19 0.3057 0.0415 0.3057 0.0212 0.3057 0.0210 0.3249 0.0042 0.3249 0.0022 0.3249 0.0011 0.396 1.29
Shapes
white
0.485 1.29
yellow
0.587 1.16
Density gcm-3 Volume cm3 cuboids

metal perspex 7.9 1.2 7.3 7.3
triangular prisms
metal perspex 7.9 1.2 4.3 4.3
cylinders
metal perspex 7.9 1.2 0.176 7.5 7.5
1110 0.85
1400 0.81
1488 0.82
Shape-wall sliding friction
All other friction coefficients as for particles
Hopper
Height, Width, Length cm Hopper half angle 100, 2.5, 40 60
Table 1 Principal hopper, sensor-shape and particle data used in DEM simulations. Experimental and DEM comparisons of three starting positions of the shapes and the metal and perspex shapes are being conducted. Simulations of the flow of the shapes in discharging hoppers have only at present been conducted with the white monosized spheres (Fig.3) and a binary mixture of 80% white and 20% yellow. Figure 4 shows DEM and experimental comparison for the path followed by the perspex shape against time where z is the height of the shape from the orifice and x is the horizontal distance of the shape from the orifice. Figure 5 shows the variation in the angular velocity with time for the perspex cuboid shape in DEM. Figure 6 shows the horizontal force component Force X and the vertical force component Force Z exerted on the perspex cuboid in the DEM simulation of a discharging hopper.
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Fig. 3 DEM simulation and practical experiment showing a square sensorshape flowing in a discharging silo filled with monosized particles.
Fig. 4 Comparison between experiment and DEM of trajectory followed by perspex cuboid
Fig. 5 Angular velocity against time for the square perspex shape in DEM
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Fig. 6 The horizontal and vertical forces exerted on the perspex cuboid in the discharging silo from the DEM simulation. CONCLUSION Reasonable agreement in flow trajectory has been shown between the practical experiment and DEM simulation. DEM has the potential to model the flow of wireless sensors in discharging hoppers, and model applied forces. ACKNOWLEDGMENTS The financial support from the UKs EPSRC is gratefully acknowledged. REFERENCES Figure 1 has been reproduced from the Wireless Sensor Networks for Industrial Processes website www.wsn4ip.org.uk/schematic. 1. 2. 3. Rotter,J.M., Brown,C.J., Lahlouh,E.H. Patterns of wall pressure on filling a square planform steel silo.Engineering Structures 24 135-150 2002 Chehata,D., Zenit,R., Wassgren,C.R. Dense granular flow around an immersed cylinder. Physics of Fluids. Vol. 15, No. 6, 1622-1631, 2003 Tzn,U. and Nedderman,R.M. Gravity flow of granular materials round obstacles: I Investigation on the effects of inserts on flow patterns in a silo. Chem. Eng. Sci. Vol. 40, Issue 3, 325-336, 1985 Langston,P., Tzn,U., Heyes,D.M. Discrete element simulation of granular flow in 2D and 3D hoppers: Dependence of discharge rate and wall stress on particle interactions. Chem. Eng. Sci., Vol. 50, No. 6, 967987 1995
4.
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COMPARING EXPERIMENTAL MEASUREMENTS OF MILL LIFTER DEFLECTIONS WITH 2D AND 3D DEM PREDICTIONS
Johanna Alatalo1, Bertil I. Plsson1, Kent Tano2
1
Division of Mineral Processing, Lule University of Technology, SE-97187 Lule, Sweden 2 Technology and Business Development, LKAB, SE-98381 Malmberget Sweden
The grinding process has high power consumption and as a result, it is also costly. It is a difficult process to monitor since there are many variables that affect the end product. Information of the events occurring in the charge can be achieved by measuring the lifter deflection and with simulation it is possible to illustrate what take place in the charge. However, for simulations to be reliable it demands that they are verified against process data. At LKAB R&D facility there is a pilot mill with a lifter deflection measuring system mounted inside one of the rubber lifters. A series of experiments with a steel media charge were performed and this provides an opportunity to validate simulation results. The measured lifter deflection signal is used to compare with signals from 2 and 3 dimensional DEM simulations of the pilot mill. The resulting signals show that the 3-dimensional case displays a better profile and the difference of toe and shoulder angles are less than in the 2-dimensional case. This means that the simulations are more reliable when they are performed in three dimensions and that the DEM simulations can be used to increased the knowledge of the events inside a mill and its charge.
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INTRODUCTION
Milling is the process of reducing the particle size distribution of the extracted ore. It demands much energy and it is a very expensive part of the process. Therefore, it needs to be optimised as much as possible. However, there is a lack of knowledge of what happens inside the charge of a tumbling mill. In principle it is impossible to use direct measurements in the charge since the environment is too harsh, but it is possible to use indirect methods of measuring, for example, deflection of lifters, variation in energy consumption or surface vibration on the mill. The total process of grinding is relatively difficult to monitor, since there are a large number of variables to consider, for example the flow rates, percentage of solids or filling, and of course, the ore itself. These variables will strongly affect the end product. This also means that there is a possibility to improve the process and to adapt it to the feed product stream. To increase the understanding of the grinding process, DEM simulation might be very helpful to illustrate the events occurring in the charge. Note, the simulations can only be considered reliable, if they are validated with real process data.
EXPERIMENTAL
LKAB mines iron ore in the north of Sweden and has at Malmberget a R&Dfacility from where process data were obtained. The pilot mill measures, 1.414 m in diameter and is 1.22 m in length. It has 12 rubber lifters and a strain gauge detector is embedded in one of them. It is a gratedischarge mill.
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Fig 1. Inside the pilot mill, here seen with a pebble charge In a series of experiments with a steel media charge, consisting of balls with a radius between 5 15 mm, the pilot mill filling was varied between 25 and 35 %. Its rotational speed was either 73 or 78 % of critical speed. To get stable grinding conditions, the chosen feed material was a hematite pellet feed, with a d50 of 35 m and 5200 kg/m3, and feed rate was kept constant at 1.5 ton/h. The strain gauge detector, a Continuous Charge Measuring system (CCM) comes from Metso Minerals. The detector measures the deflection of the lifter as it passes through the charge and from the signal, the toe and shoulder angles as well as degree of filling can be calculated.
SIMULATION
The 2-dimensional simulations were performed in Pfc2D at LKAB [1] and show a difference between the simulated and measured toe and shoulder angles. One explanation is the fact that the simulation were done in 2D [2]. Noticeable is that the lifter deflection was simulated directly in the simulation, using a bendable lifter. Here, the 3-dimensional simulations are performed in EDEM. A 10 cm slice of the pilot mill is simulated. To get a more reliable simulation, the sides of the mill are set as periodic boundaries. The deflection is calculated from the
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experienced force on the lifter. The same material data and parameters have been used for both simulations.
RESULTS
The resulting deflections from the experiments and the simulations can be seen in figure 2. In this case, the mill filling is 35 % by volume and the rotational speed is 73 % of critical speed. The signals from the simulations are low pass filtered.
1
0,8
Normalised deflection
0,6
0,4
0,2
0 0 30 60 90 120 150 180 210 240 270 300 330 360
Rotation angle (degrees)
Fig 2. Graph of the lifter deflection signals for the measured (blue), 2D simulation (green) and 3D simulation (red) signals. The difference of degrees in that occurred in the 2-dimensional events is not as large for the 3-dimensional event, which means that the 3D simulations are more reliable. The simulated signal in the 3D case shows a better profile than the 2D case.
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CONCLUSIONS
The simulation in 3D gives a better representative value and can be used to increase the knowledge of the events inside a mill and its charge. The absence of slurry in the simulation is of course a limitation.
FUTURE WORKS
A new series of experiments were performed at the LKAB R&D facilities at Malmberget in March 2010. At this time, the charge consisted of pebbles and the rotational speed, percentage of filling and volume %solids were varied. Also, additional experiments with varying types of pebbles were done. At this stage, the result from this is being analysed and new simulation will be made.
ACKNOWLEDGEMENTS
Thanks to LKAB for financial support and for making the experiments possible.
REFERENCES
1. K. Tano, Continuous Monitoring of Mineral Processes with Special Focus on Tumbling Mills A Multivariate Approach, Lule University of Technology, 2005. 2. P. W. Cleary, R. Morrison and S. Morrell, Comparison of DEM and experiment for a scale model SAG mill, International Journal of Mineral Processing, 68, 129-165, 2003.
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NUMERICAL ANALYSIS OF COLD-FORMED SIGMA STEEL BEAMS

Qiang Liu, Jian Yang and Long Yuan Li
University of Birmingham, School of Civil Engineering
A nonlinear finite element (FE) based model was developed to simulate the structural behaviour of simply supported cold-formed steel (CFS) Sigma beams under mid-span point loading. The FE model shows good agreement with the test result in representing the actual moment-rotation responses of the Sigma sections at internal supports. It can be therefore explored to conduct quasi-plastic design for continuous CFS Sigma beams at internal supports.
INTRODUCTION A nonlinear finite element (FE) model has been developed by using general purpose software ANSYS [1] to study the structural behaviour of cold-formed steel (CFS) continuous Sigma beams at internal supports, Numerical results were then validated by test data. In the test, the beam was subjected to the central point load to represent the reaction from the internal support. The nominal dimensions of the tested specimens are summarized in Table 1. ELEMENT TYPE, MESHING AND MATERIAL PROPERTIES A shell element, i.e. SHELL181, was chosen to model the Sigma beam. Bolts that used to connect the Sigma section and supporting cleats were modelled
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with elastic shell element, i.e. SHELL63. Since mesh pattern can directly influence the convergence and the accuracy of FE results, the shape and size of the element in the present FE modelling were determined through extensive trial and error process. The best result was achieved through the following discretization approach, i.e. 2 elements in the lip, 8 elements in the flange, 8 elements in the outer-web, 10 elements in the inner-web and 1 element in the corner. All elements have quadrilateral shape. As demonstrated in Fig. 1(a), the aspect ratio of the elements near the middle span and two ends, where high stress gradient was present, was kept between 1 and 2. The aspect ratio of the remaining elements was mostly chosen between 1 and 3. Areas around bolt holes in the outer-web were discretised into regular quadrilateral elements [see Fig. 1(b) and (c)] by using the quadmorphing mesher.
Section D (mm) F (mm) L (mm) O (mm) I (mm) S (mm) r (mm) t (mm) 20012 20016 20025 200 200 200 62.5 62.5 62.5 20 20 20 45 45 45 110 110 110 16 16 16 4 4 4 1.2 1.6 2.5
Table 1. Nominal cross sectional dimensions Material property of the beam was modelled by using a multilinear stress-strain relationship with Von-Mises yield criteria. The nonlinear material model was defined by the true stress and the strain, which were derived from tension coupon tests. The Poissons ratio of the elements was assumed as 0.3. The elastic materials for bolts and cleats were modelled by using E = 210000MPa and = 0.3. LOADING AND BOUNDARY CONDITIONS Loads were directly applied through four bolt holes near the middle span. Each hole equally shares the total load. The circular edge of each hole was predefined by 4 arcs in the geometry modelling process. The bolt hole was assumed to receive loading in the bottom quarter of the circular edge, which can reflect practical contact details between the loading bolt and the bolt hole. Four semi-rigid regions were created on loading edges to avoid stress concentration. All cleats
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were rationally treated as rigid bodies due to their significantly higher stiffness in comparison with that of the cold-formed sections. Full lateral restraints therefore were imposed to the Sigma beam at the middle span and both ends, respectively. In the mid-span plane of the Sigma beam, the longitudinal movement of two nodes (in the upper and the lower out-webs respectively) were restrained to globally immobilize the member.
(a) Overall view
(b) Meshing near loading points (c) Meshing near supports Fig 1. Finite element meshing
The bolt connecting the beam to supporting cleats was specifically simulated by using a 10mm thick wedge shaped block. The central node on the block was transversely restrained. The nodes on the top quarter of the bolt hole and the exterior circular surface of the block were coupled together. The main benefit of doing this is that it introduces no additional rotational restraint about the major bending axis and significantly reduces both stress concentration and local distortion at the bolt-beam interface. INITIAL IMPERFECTIONS The introduction of geometric imperfections into the FE modelling was based on the published studies [2-4]. Three basic imperfection shapes determined from elastic buckling analysis are presented in Fig.2, i.e. the distortional buckling, local buckling and lateral torsional buckling mode shape. The initial imperfections in the FE modelling were included by the linear superposition of individual linear buckling modes. Since the first buckling mode from elastic buckling analysis is normally critical on structural behaviours, the corresponding buckling mode was selected as one of the imperfection components for each specimen. Other modes
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were included only if the ratio of respective buckling load to the critical load was within 2. For local mode and distortional mode, the amplitudes of imperfection were specified as 0.5t and t (t is the cross-sectional thickness), respectively, which represent approximately 50% of the probability of exceedance in the sampling data recorded from real samples [2]. The amplitude of the lateral torsional imperfection mode is suggested in EC3 [5], i.e. the unrestrained span length over 1000. However from trial analysis, it was found that this value resulted in overly conservative predictions. Hence in this FE modelling, the amplitude of the lateral torsional imperfection mode was assumed to be the unrestrained span length over 1500.
(a). Distortional buckling mode: antisymmetric and symmetric modes
(b). Local buckling mode
(c). Lateral torsional buckling shape
Fig 2. Typical imperfection modes COMPARISON WITH EXPERIMENTAL RESULTS The full loading range in the FE modelling was obtained by using the arclength method. Moment-rotation responses obtained from the FE simulations aaaare presented in Fig. 3, together with the test results. In Fig.3, the test specimens have been assigned a 3-part ID symbol, e.g. 24-20012-C indicates the beam span (2.4m), section (200mm deep) and thickness (1.2mm), type of connection (C indicates continuous connection at internal supports). Fig.3 shows that the developed FE model produces excellent predictions in linear flexural stiffness and ultimate moment of the tested beams. It is worth noting that in the FE model, the boundary condition at both ends was effectively modelled to be simply supported. The good agreement between the predicted and tested results therefore indicates that the partial rigidity provided by two bolts at supports is negligible in practice.
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25.0
Bending moment (kNm)
20.0
15.0
10.0
5.0
24-20012-C FEM 24-20012-C test 24-20016-C FEM 24-20016-C test 24-20025-C FEM 24-20025-C test 40-20025-C FEM 40-20025-C test
0.0 0 1 2 Rotation(Deg) 3 4
Fig 3. Moment-rotation curves The FE model also provides good predictions in modelling the post-failure behaviours of the beams. As shown in Fig. 4, the post-failure patterns of 24-20025-c and 40-20025-c obtained from the tests and the predictions are almost coincident except that the 40-20025-c test specimen experienced lateral torsional buckling in the right half span but in the FE simulation the lateral tortional buckling occurred in the left half span. Due to the nature of symmetry, the failure could occur randomly in either span. CONCLUSIONS The structural behaviour of a simply supported Sigma beam under mid-span point load was simulated numerically by using FEM. This is to study the pre-and post-failure moment-rotation behaviour and localized plastic collapse of a continuous beam at the internal support. The selected element type, meshing pattern, material properties, implementation of the boundary and loading conditions and the introduction of the initial imperfections employed in the modelling process have been described in details. Validated by the experimental results, the numerical modelling has been demonstrated a good capability in reproduction of the moment-rotation responses of the Sigma sections under mid-span point load. The developed FE model therefore can be utilized to study the structural behaviour of continuous beams at internal support, such as the moment-rotation relationship,
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the flexural stiffness of beams, the moment capacity under point load, post-failure response and the localized plastic collapse mechanism.
(a) Experimental result and FE simulation result (24-20025-c)
(b) Experimental result and FE simulation result (40-20025-c) Fig 4. Post-failure deformations REFERENCES [1] Commands Reference, Elements Reference, Operations Guide, Basic Analysis Guide, Theory Reference for ANSYS. [2] Schafer, B.W., Pekz, T., Computational modelling of cold-formed steel: Characterizing geometric imperfections and residual stresses, Journal of Constructional Steel Research, 1998, 47(3), pp.193210. [3] Dubina D., Ungureanu V., Effect of Imperfections on Numerical Simulation of Instability Behaviour of Cold-Formed Steel Members, Thin-Walled Structures, 2002, 40(3), pp.239-62. [4] Sarawit, A. T., Kim, Y., Bakker, M. C. M., and Pekz, T., The finite element method for thin-walled membersapplications, Thin-Walled Structures, 2003, 41(2), pp.191206. [5] European Committee for Standardisation., Eurocode 3: Design of steel structures: Part 1.3: General rules Supplementary rules for cold-formed thin gauge members and sheetings, 2006.
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4 PARALLELISATION, GPU, OPTIMISATION
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PARALLELIZATION OF AN OPEN-SOURCE FEM/DEM CODE Y2D

Tomas Lukas, Antonio Munjiza
Department of Engineering, Queen Mary, University of London
This paper presents static domain decomposition based parallelization strategy of an open-source combined finite-discrete element code Y2D. MPI is adopted as the message passing library. An implementation of parallel FEM/DEM code on the 500 node in-house parallel cluster is summarized and demonstrated using benchmark examples.
INTRODUCTION The combined finite-discrete element method merges finite element tools and techniques with discrete element algorithms. Finite element-based analysis of continua is merged with discrete element-based transient dynamics, contact detection and contact interaction solutions. Thus, transient dynamic analysis of systems comprising a large number (from a few thousands to more than a million) of deformable bodies which interact with each other and in this process can break, fracture or fragment, becomes possible. The computational requirements for simulations of systems comprising a large number of deformable bodies (millions of particles) are enormous and the computational power that can be achieved with a single-processor system is limited by physical and architectural bounds. Thus the use of high-performance parallel computers is indispensable. In this work a geometric approach to domain decomposition has been adopted. It divides the computational domain by exploiting the location of objects in the
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simulation. To demonstrate parallelization strategy used, computational domain is discretised into a static rectangular grid of sub-domains of the same size. Each sub-domain is assigned to a single processor in the cluster. Existing single processor FEM/DEM program is written in C (Y2D code) and from wide range of libraries for parallel computing message-passing interface (MPI) has been chosen as the parallelization library. PARALLELIZATION STRATEGY Status of elements. Elements can be divided into several categories depending on their location within sub-domain. Constant strain triangular elements located inside sub-domain (Fig 1a) are marked as internal (A). Elements located at the border between two sub-domains are shared by two processors, see Fig 1a.
a) A internal B original C copy 1st processor b) 3rd processor
2nd processor 4th processor
E D 1st processor
E E
D original E copy
2nd processor
Fig 1. Status of constant strain triangular elements located a) at the border between two sub-domains, b) at borders between four sub-domains. If two nodes of element are located inside sub-domain, then the element is marked as an original (B) on corresponding processor while on second processor
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is marked as a copy (C). At last, elements located at the borders between four subdomains are shared by four processors and marked as originals (D) at one processor (sub-domain which is an intersection of two planes each containing two nodes of element) and copies (E) on remaining three processors, see Fig 1b. The reason for keeping originals and their copies is a possibility of their contact with internal elements located on two or four different processors. Transition from continua to discontinua in the combined finite-discrete element method occurs through fracture which is introduced through discrete crack model [1] represented in Y2D code as a four-node joint element holding together triangle elements. Status of joint element can be determined analogically to triangle elements by its location within sub-domain with addition of using also the centre of joint in case two nodes of element are inside sub-domain and two nodes outside. Nodal and contact forces. Each time step during time integration nodal forces are calculated and later forces arising from contact between discrete elements are added to nodal forces. Nodal forces for both triangle and joint elements are calculated only for internal elements and originals. Since elements located around borders are shared by two or four different processors, contact forces between originals and copies must be divided by two or four with exception of contact when one element is located at horizontal and second element at vertical border. In this case the contact force is unique because corresponding counterparts of these two elements are located on two different processors and therefore this contact cannot occur anywhere else. Contact force is divided by two if first element is located on two and second element on four processors. Contact force of internal element in contact with any other stays always intact, i.e. is divided by 1.0. After calculation of nodal and contact forces, total forces of elements located around borders between sub-domains are exchanged between corresponding processors. This is performed in two stages. In the first stage messages containing forces for elements located at right and left borders are exchanged in horizontal direction, see Fig 2a. In the second stage forces for elements located at top and bottom borders are exchanged in vertical direction as shown in Fig 2b. There is no communication in diagonal direction. Forces received in each stage are added to their corresponding forces on receiving processor. Forces of elements shared by four
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processors are exchanged in both horizontal and vertical direction resulting in a sum of forces from all four processors, see Fig 2c.
a) 6 3 0 7 4 1 8 5 2
b) 6 3 0 7 4 1 8
c) 2 5 2 0
F
i =0 3
F
3
i =0 3
Fi
i =0
F
1
i =0
Fig 2. Send-receive operation in a) horizontal direction, b) vertical direction; c) forces of elements shared by four processors after communication. Moving of elements. After force exchange the moving equation is solved resulting in new positions of elements. It is therefore necessary to update status of all originals and copies and internal elements close to each border. A singly connected lists of internal elements located in the proximity of each border are assembled during contact detection. These lists are used for checking new positions of internal elements. Originals and copies saved in the element database are separated from internal elements and it is therefore possible to check their positions directly. Elements which left sub-domain must be deleted from database and new elements which moved into sub-domain from neighbouring processors are received. Communication. For now parallel code is using MPI-1, which means that input and output is performed only by I/O processor. The rest of the processors must send their output to I/O processor. The content of each message is converted into string of characters before sending and converted back upon receiving to ensure portability and simplicity. Numerical examples. Parallel code was tested on a CPU with quad-core Intel Xeon W3570 and 12 GB of RAM. Testing was done on a box filled by different numbers of discrete elements with initial velocity 200 m/s in random directions. Dimensions of the box were scaled with increasing number of elements (size of elements stays the same). All other input parameters stayed the same. Due to ac-
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cumulation of rounding errors a small difference between results calculated by sequential and parallel code occurs. Results calculated for 1024 and 10000 discrete elements are displayed in Fig 3.
Fig 3. A box filled by 1024 (top) and 10 000 (middle) discrete elements calculated by a single processor code at time steps 0 and 3000. Zoom box (bottom) for 10 000 discrete elements.
CPU time for different numbers of elements

4000 3500 3000 2500 2000 1500 1000 500 0 0 5000 10000 15000 20000
Time [s]
1 processor 2 processors 1 processor 2 processors
Number of elements [-]
Fig 4. CPU times for different numbers of elements.
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Recorded simulation times for six different numbers of discrete elements are plotted in Fig 4. With increasing number of elements simulation time for a single processor code is not growing linearly which is also a cause for a speed-up bigger than 2 for higher numbers of elements. CONCLUSION Speed-up values for different numbers of discrete elements are distorted by the fact that simulation time is not growing linearly with increasing number of elements. Further improvement of the parallel code will be achieved by introducing a buffer around borders between sub-domains [4] which means that status of elements doesnt have to be checked each time step which also reduces number of communications and the need for new contact detection in case new elements are received or old elements deleted. REFERENCES 1. A. Munjiza, The combined finite-discrete element method, Wiley, 2004. 2. P.S. Pacheco, Parallel programming with MPI, Morgan Kaufmann Publishers, 1997. 3. D.R.J. Owen, Y.T. Feng, Parallelised finite/discrete element simulation of multi-fracturing solids and discrete systems, Engineering Computations, 18, No.3/4, 557-76, 2001. 4. F. Wang, Y.T. Feng, D.R.J. Owen, Parallelisation for finite-discrete element analysis in a distributed-memory environment, Int. J. Comp. Eng. Sci., 5, No.1, 1-23, 2004.
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WET-MIXING OF POWDERS, A LARGE-SCALE GPU IMPLEMENTATION

Radeke, A.C., Khinast, J.G. Research Center Pharmaceutical Engineering GmbH, A-8010 Graz, Austria
The operation which is addressed by our DEM simulations is wetmixing. Here a powder is filled into a mixing device. Afterward fluid is continuously sprayed from a nozzle onto the powder whilst mixing. We use porous catalyst particles. These particles absorbing fluid over the process time, from the spray zone on top of the bed as well as from contacting particles having a fluid film caused by over-saturation. With increasing time the powder is reaching a saturated state. The influence of the spray zone location on mixing homogeneity is studied by DEM simulations.
INTRODUCTION Processes in pharmaceutical applications are often complex. For example powders are fluidized, sprayed and dried in one operation. There particles moving in hot air whilst a liquid is sprayed which forms layers on the particle surface. In other processes powders and bio-active ingredients have to be mixed until a homogeneous blend is achieved. Often the desired functionality of pharmaceutical products restricts the choice of engineering processes. One cannot expose heat sensitive ingredients in a hot air fluidized bed. Usually the grain size of powders in the pharmaceutical industry is around 50 microns. This means to have billions of particles in only one Liter of powder. In order to make an 1 : 1 validation of our simulation in the future we have chosen
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fine glass beads of 360m in average size. This material is available for experiments and fits tightly our computational limitations in terms of the problem size. THE RPD CODE In order to get closer in terms of the powder resolution we switched to a new technology. Specific demands of a research project at Rutgers University led to the development of a new enhanced DEM code using the (at this time) newly available CUDA technology [6, 7, 11]. The program development of the RPD (Rutgers Particle Dynamics) code started in April 2008. The code is still under development and is intended as a feasibility study. At this time with RPD one can simulate millions of particles on consumer hardware. The simulation can be directly visualized by a GUI with key controlling of display features. Because of the computational strength, the preparation of large simulations is very convenient. One first simply incorporate hundred thousand particles for testing purposes of the desired physical process. This yields particle flow simulations at interactive speed. Thereafter RPD can be executed with the maximum possible amount of particles. This maximum number of particles depends on the memory size of the equipped graphics card. The simulations presented in this paper are executed on an NVIDIA GTX 285 2GB graphics board. At the present development stage of RPD it is possible to simulate about two millions of particles per Giga Byte of graphics memory. IMPLEMENTATION Our numerical model is a 'soft' particle approach where spherical particles exert forces due to their mass m and geometrical overlap at the contact points c. The total force F and torque M acting on a particle F = f c mg
c
(1) (2)
M = r f c
c
is the summation of contact forces fc with other particles or boundaries and gravit-
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ational force. Considering Newtons second law, at time t we obtain an acceleration a(t) which can be used for an explicit time step integration with a time step dt in order to obtain new velocities v(t + dt) and positions x(t + dt) for each particle in the system. Here, the classical Verlet integration scheme is employed for positions [12] a t =F /m x tdt=2xt x tdtat dt 2 and velocities obtained by central dierence approximation v tdt= 1 x tdt x tdta t dt. 2dt (5) (3) (4)
The implementation accounts for translational as well as for rotational degrees of freedom. Both are handled separately by the application of the Verlet algorithm (3 - 6) and an Euler integration (7) in the latter case. Total torque M and moment of inertia I are used to obtain the angular acceleration t
t=
M I
(6)
and the new angular velocity at time t + dt tdt =t t dt. (7)
In order to obtain the new particle orientation q(t + dt) the integration of the angular velocity is performed afterward. Here, q(t + dt) is a quaternion representation of particle orientation, details can be found in [9]. The implemented force laws are linear in normal and tangential direction and follows the implementation suggested in [5]. f n=k n n Dn n f ch (8)
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f t =min k t t D t t , Fn
(9)
where is the static Coulomb friction coecient, kn, kt are spring constants and Dn, Dt account for viscous damping in normal and tangential direction respectively. The cohesive force fch is only active in the case of liquid bridges. The tangential overlap t =t tt tdt allows for restoring forces if the contact had been existed already in the previous time step. Analogous to sliding friction rolling resistance is implemented. PARALLELIZATION The RPD code uses the common cell space logic [1, 10]. The cell space implementation is flexible, so particles with moderate size ratio up to 1:5 or arbitrary size distribution within that limit can be simulated. In contrast to MPI or OpenMP based approaches where large subsets of cells are distributed to (CPU) processor cores, the parallelization is implemented on particle level using the 'Compute Unified Device Architecture' (CUDA) programming technique. So all equations (1-9) are executed by each single particle simultaneously. NUMERICAL PRECISION GPUs originating from computer graphics and became more an more powerful to satisfy the demands of 3D games. There the performance is expressed in terms of frame rates and smooth interactive handling whilst such a game is running. In order to display the result (the rendered frames) fast, the accuracy of the rendered images are sufficient by processing the data with single precision (SP) numeric on SP hardware. Using this hardware for numerical simulations leads to problems in the implementation of the algorithms caused by the lower amount of valid digits in the floating point representation [4]. As an intermediate solution we scale our geometry according to Froude theory [8]. Though, the Verlet algorithm is used widely in real molecular dynamics software packages which run at SP with comparable accuracy to DP. There different length scales and time scales apply (in the nano meter and femto seconds) which exudes to resolve this problem by unit scaling or better numerical techniques [2].
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SPRAY EXTENSION Two reservoirs are assigned to each particle: A film reservoir and an absorption or wetting reservoir. The extension for spraying is divided into three parts. First, a nozzle is modeled as a point source of a bunch of rays which are running through the powder bed. The intersected particles are detected and the particles nearest to the nozzle are forming the top layer. By defining a nozzle flow-rate the particles in this top layer receive evenly distributed fluid and the film reservoir is filled when the particles are hit. In order to keep the spray pattern stationary onto the bed surface, this spray zone projection has to be executed frequently (about 100x / s). The CUDA implementation outperforms the CPU version with a factor of 500. Second, the particles can absorb fluid from the film reservoir. Third, in case of over-saturation the fluid content of the film reservoir can be transfered by a liquid bridge model. So whilst a wet contact is lasting, the film fluid is equilibrated between contacting particles. A detailed description of the algorithms is beyond the scope of this paper and will be given in a separate paper. APPLICATION EXAMPLE The device which was used for our simulations is a bladed mixer as sketched in Figure 1. As a convective mixer it consists of a stationary vessel and a rotating impeller. These types of mixers are used for materials that tend to segregate or agglomerate, and hence, cannot be mixed in tumbling blenders. Bladed mixers have been extensively investigated both numerically and experimentally by Stewart et al. [3, 13]. The inner diameter of this lab-size mixer is 2R = 0.1m, the working area of the impeller covers a volume of about 0.2L (see Table 1)for details.
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Figure 1: Schematic of the pitched blade mixer geometry (left) and four million particles filled into the blade mixer. Spray zone green colored on top of the powder bed and only already wet particles in opaque visualization colored in green and grey (right). Two simulations starts from an identical spatial distribution of four million particles inside the blade-mixer. All boundary conditions kept constant except the position of the spray nozzle. We perform the mixing of a moderate speed of 19 rpm. Our simulations also include cohesion in the case of film liquid on the particle surface on both, particle- and wall contacts. The cohesion is modeled as a simple superimposition of sevenfold weight force of the particle. The application of the spray algorithms is demonstrated in Fig (1). After ten revolutions our statistical analysis leads to the recommendation to prefer the central spray position instead of the outside location of the spray zone Fig. (2).
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Figure 2: Simulation after ten revolutions and continuously fluid spraying from a fixed nozzle position: central (left image) and outside (right image). Particles colored according to its fluid content (increasing blue) and green if the wear a fluid film which can be observed in the spray zone area.
Figure 3: Mixing analysis of the two spray locations (central = black, outside = red). Mixing and saturation is better and higher resp. for the case of the central radial location. (dashed lines).
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With increasing radius the circumferencial speed is increasing too. Therefore and because of the known effect of diffusive mixing on the blade tips, one would expect that if fluid is sprayed onto this region, this would also lead to better wetmixing. Our simulation results predicts the opposite. The throughput of particles is obviously higher for the central nozzle position. Residence time distribution data (not shown in this paper) conforms this, although the circumferential speed in that region is much slower than on the blade tip. GEOMETRY AND SIMULATION PARAMETERS Parameter Blade width Blade diameter Blade angle Hub diameter Hub height Shaft diameter Stator diameter S. BW BD BA HD HH SD DS Value 25 95 45 22 20 12 100 Unit mm mm deg mm mm mm mm
Table 1. Mixer: dimensions of the simulated mixing device.
Parameter Density Normal stiffness Tangential stiffness Cohesion
S. kn kt fch
Value 2500 1.05105 8.25104 7weight
Unit kg/m3 Nm-1 Nm-1 N
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Restitution coefficient static friction (PP) static friction (PW)
0.78 0.3 0.2 mm mm
Table 2. DEM simulation parameters.
CONCLUSION A massively-parallel approach for the implementation of DEM using CUDA was presented. The take-home message is: CUDA and GPU allows for significant increase of computational speed. Intelligent programming technique with respect to the GPU memory enables for large-scale simulations on consumer graphics hardware. REFERENCES 1. M. P. Allen and D. J. Tildesley. Computer Simulation of Liquids. Oxford University Press, Oxford, 1987. 2. Kevin J. Bowers, Edmond Chow, Huafeng Xu, Ron O. Dror, Michael P. Eastwood, Brent A. Gregersen, John L. Klepeis, Istvan Kolossvary, Mark A. Moraes, Federico D. Sacerdoti, John K. Salmon, Yibing Shan, and David E. Shaw. Scalable algorithms for molecular dynamics simulations on commodity clusters. In SC '06: Proceedings of the 2006 ACM/IEEE conference on Supercomputing, page 84, New York, NY, USA, 2006. ACM. 3. G.R. Chandratilleke, A.B. Yu, R.L. Stewart, and J. Bridgwater. Effects of blade rake angle and gap on particle mixing in a cylindrical mixer. Powder Technology, 193(3):303-11, 10 August 2009. 4. D GOLDBERG. What every computer scientist should know about floating-
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point arithmetic. COMPUTING SURVEYS, 23(1):5-48, MAR 1991. 5. S. Luding. Collisions & contacts between two particles. In H. J. Herrmann, J.P. Hovi, and S. Luding, editors, Physics of dry granular media NATO ASI Series E350, page 285, Dordrecht, 1998. Kluwer Academic Publishers. 6. NVIDIA. "cuda compute unified device architecture, programming guide version 1.0". 2008. 7. NVIDIA. "on accelerating financial applications using cuda gpu technology, hilton new york, u.s.". The HP and NVIDIA Seminar at Security Industry Technology Show (SIFMA), Jun 2008.
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GRID PARALLEL COMPUTING SYSTEM FOR CALIBRATION OF DEM MATERIAL MODELS

Elson Mourao, David Curry, Richard LaRoche
DEM Solutions Ltd
DEM material model calibration is a method to adjust DEM model parameters to find the best match between the results of simulations and physical bulk particle tests. Many hundreds of simulations may be required in order to determine the optimum parameter values for the DEM material model. This paper presents a Grid Parallel approach to implementing the calibration process involving carrying out a series of different simulations in parallel on a grid of compute nodes, and its application in bulk material characterization for the purposes of DEM simulation.
INTRODUCTION DEM material model calibration is a method where DEM model parameters which characterize the bulk particles; i.e. the parameters in the particle contact model and the size and shape distribution of the particles, are adjusted to obtain the best match between the results of simulations using the material model and physical bulk particle tests. The objective is to match the bulk behavior in the virtual test with that observed in the physical bench test within an acceptable level of accuracy. Current methods for determining suitable material model parameters are based on physical tests sometimes also using comparison of process-scale simulation
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results against observed behavior, to tune the model. These methods typically generate thousands of virtual tests which can take several days to run even if each virtual test by itself takes a small amount of time. A system is required that minimizes the time needed to run the virtual experiments. Here we outline a grid parallel DEM material model calibration system which allows such experiments to run concurrently and in a highly scalable way such that the runtime is linearly improved the more computation power is added to the system. GRID PARALLEL DEM CALIBRATION SYSTEM Model calibration is an exhaustive process; depending on the model and the optimization technique many hundreds of EDEM simulations may need to be run for a single model calibration. By running these simulations in parallel, the time to perform an optimization could be greatly reduced. If enough computational power is available, the whole optimization could be executed in approximately the same time it takes to run a single test simulation. We have developed an optimization process that employs a grid parallel computer network to run simulations in parallel. The grid parallel system is a computational grid where a number of computers are used to process each simulation in parallel while one controls the optimization process. As the processing nodes finish processing a simulation, they send the result to the optimization engine to determine if the optimal result is found. If the optimal result is not found a new set of parameters is sent to the processing node to re-run the simulation with. The process repeats until the optimal result is achieved.
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Fig. 1 Grid Parallel System Grid Parallel Speed-Up Consider a simple angle of repose test to analyze the effect of inter-particle static and rolling friction on the angle of repose of a pile of particles (Fig. 2). At a resolution of 100-by-100 parameter values, 10,000 different simulations would be required to fully define the parameter space. If each simulation executed on a single computer takes 1 hour to complete, then the full set would take 416 days to complete. When executed on a small Grid Parallel System containing only 8 nodes it will complete this analysis in 52 days.
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Fig. 2 Angle of Repose Test. APPLICATIONS OF THE GRID SYSTEM This approach is well suited to calibration methods such as design of experiment (DOE) and parameter optimization, both of which can require large numbers of individual simulations to be performed. DOEs are particularly straightforward as the optimization engine simply generates a predefined list of parameters which are then distributed to the nodes in turn until the whole set is processed. Optimization is more complex approach and different optimization methods have been implemented in this system. This includes techniques such as Local Gradient Search, Exhaustive Search, Simulated Annealing and Genetic Algorithms [1]. Example application of Exhaustive search. Previously the Angle of repose example was used to demonstrate the number of simulations required to determine an optimum parameter combination for the
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DEM Material Model. The following example, of calculating Torque in a Shear Mixer is a further refinement of this method and is based on a series of progressively higher resolution exhaustive searches. Fig. 4 shows the mapped parameter space for such a method. This is a 4-level optimization which has reduced the number of total simulations from the 425 that would be required for a single highresolution exhaustive analysis, to only 100. This yielded a result accurate to 99.5% of the experimental result in just 7 hours on a small Grid System.
Fig. 3 Example Application of Exhaustive Search More advanced optimization methods such as simulated annealing can further reduce the number of simulations required to achieve convergence on the optimum DEM Material Model parameter set [1].
CONCLUSION DEM material model calibration is required to support the use of DEM simulations in the engineering design process. Calibration usually involves carrying out
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a large number of simulations to sample the parameter space and test the results against observables from physical bulk tests. The system presented describes a grid parallel system to distribute the simulation workload across many compute nodes to significantly reduce the time taken to perform DEM material model calibration. It has been demonstrated to be applicable to DOE and optimization methods.
REFERENCES 1. D. Curry, et al, Calibration of DEM Material Models Using Advanced Optimization Methods in a Grid Parallel System, Submitted to DEM5-2010.
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A GPU ACCELERATED CONTINUOUS-BASED DISCRETE ELEMENT METHOD FOR ELASTODYNAMICS ANALYSIS

Zhaosong Ma, Chun Feng, Tianping Liu, Shihai Li Institute of MechanicsChinese Academy of SciencesBeijing 100190China
The GPU (Geographic Processing Units) computing is a new technique which makes use of VGA cards to provide high-performance computing capacity with very low costs. This paper presents the Continuous-based Discrete Element Method (CDEM) realized on the GPU. Using a NVIDIA GTX-285 VGA card, the computing speed achieves an average 650 times speedup ratio (vs. Intel Core-Dual 2.66 GHz CPU). To parallelize the CDEM algorithm, the clone node force refreshing process is separated from the elemental calculation, and is replaced by a Node Group force assignment process, which ensures the data independence in parallel execution.
INTRODUCTION The Continuum-based Distinct Element Method (CDEM) is an approach to simulate the progressive failure of geological mass, which is mainly used in landslide stability evaluation, coal and gas outburst analysis, as well as mining and tunnel designing. CDEM is the combination of Finite Element Method (FEM) and Distinct Element Method (DEM), It contains two kinds of elements, blocks and interfaces (Fig 1). A discrete block is consisted of one or more FEM elements, all of which
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share the same nodes and faces. An interface contains several normal and tangent springs; each connects nodes in different blocks. Inside the block the FEM is used, while for the interface, the DEM is adopted. Various constitutive models can be used in the block, including the linear elastic model, Drucker-Prager model, the block breakage model and the discrete spring model. For the interfaces, the linear elastic model and the linear crack model can be used. To simulate the randomness of dimension and the geometrical features of geo-material, the random joint model is used. A fluid-solid interaction model is introduced to CDEM to study the influence of the seepage flow in fractures.
ce Interfa
Block 1 Block 2 Block 1
Block 2
Interface 1 Block 3
Inte
rfac
e2
Block 3 Block 1------5 FEM elements Block 2------1 FEM element Block 3------5 FEM elements
Contact 1------4 normal and 4 tangent springs Contact 2------4 normal and 4 tangent springs Contact 3------4 normal and 4 tangent springs
Fig 1. Blocks and interfaces for 8 nodes hexahedron CDEM is an explicit time history-analysis FEM/DEM approach on finite difference principles and forward-difference approximation is adopted to calculate the progressive process through a time marching scheme. During the calculation, the dynamic relaxation method is used to achieve convergence in a reasonable pe-
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riod time with small time steps, and the convergence is reached when the total magnitude of the kinetic energy is minimized. Fig 2 shows the main process to solve a classical geological problem.
Start Node Acceleration Node Velocity Node Displacement No Constitutive Equation Block Force Interface Force Damping Equation Damping Force
Node Force Kinetic Energy
Is reached the convergence ?
Yes
Finish
Fig 2. The process to solve a geological problem The constitutive equation of block is show in Equation 1 (just for liner elastic e e model), where {F }i denotes the vector of node force of element i, {u}i means e the vector of node displacement of element i, and [ K ]i represents element stiffness matrix of element i.
{F }i [ K ]i {u}i
e e e
(1)
The constitutive equation of interface is show in Equation 2 (just for liner elasj j tic model), Where Fn and Fs denotes the normal and tangent force of spring j,
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K n and K s means the normal and tangent stiffness of spring j, d n and d s represents the normal and tangent displacement increment of spring j.
j j j
Fn j K n j d n j j j j Fs K s d s
(2)
For simulating the failure of interface, liner crack model is adopted. During elastic stage, the same as liner elastic model, equation 2 is used to calculate the spring force in the interface. If the spring force exceeds the strength of the interface, the crack on interface begins and the Mohr-Coulomb criterion (Equation 3) is adopted. It is positive when Fn is compression, and negative when Fn is tensile. In Equation 3, T denotes the tension, means inner friction, and C represents cohesion.
If Fn j T then Fn Fs 0, T 0 j j then Fs Fn tan( ) C , C 0 If Fs Fn tan( ) C
(3)
To dissipate the excessive energy in block system, the Rayleigh damping is introduced, which contains two kinds of damping, the mass proportional damping ( ) and the stiffness proportional damping( ). The damping force is calculated e from Equation 4, where { f }i means the vector of damping force of element i, e e [ M ]i denotes the element mass matrix of element i, and {v}i represents the vector of velocity of element i.
{ f }i [ M ]i {v}i [ K ]i {v}i
e e e e
(4)
SOLUTION ALGORITHM IN PARALLEL Unlike general CDEM algorithm which uses clone node strategy to ensure node consistency among elements, the parallel algorithm does the same work by means of a nodal force group strategy. The difference is out of reason of access conflict. For general CDEM, a nodes force is cloned to the associated nodes just when the nodes force calculation is done. This works well in serial execution, but may cause data access conflict in parallel execution, for various threads may clone
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their forces to a same node at the same time. Differently, the parallel algorithm uses a data structure to temporarily store the forces calculated. The nodal forces will be redistributed in a separate procedure after all of the nodes force calculation is done, as shown in Fig 3.
Preprocessing
Copy data to GPU
Element calculation
Element calculation
Element calculation
Global synchronization
Nodal force redistribution
Meet iteration conditions? Yes Post processing
End
Fig 3. Flowchart of CDEM Parallel Calculation The element calculation procedure is designed according to the specialty of GPU. As is known, a GPU consists of a set of SIMT (single-instruction, multiplethread) multi-processors, which are mapped to CUDA blocks[1]; each multi-
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processor has an instruction unit and several scalar processor cores, which are mapped to CUDA threads, and each scalar thread executes independently with its own instruction address and register state. Accordingly, the element calculation processes are divided into parallel CUDA blocks, each of which contains certain number of elements. In this work, a CUDA block contains 32 elements for best performance. As is shown in Fig 4, the CUDA blocks are further divided into threads, each of which processes one node.
` Element 1
Block 1 Element 2 Element 3
Block 2 Element 4 Elem. n-1
Block m Element n
Nodes Nodes Nodes Nodes Nodes Nodes
Threads Thread 1 Nodal Calculation ... Thread 2 Nodal Calculation ...
Threads Thread 3 Nodal Calculation ...
Threads
Thread nn Nodal Calculation ...
Fig 4. Thread Division Scheme for Element Calculation * Practically in the program, each block contains 32 elements. Similarly, the nodal force redistribution procedure is designed following the block-thread architecture, namely, each CUDA block contains certain number of nodal force groups as threads, as is shown in Fig 5. The number of nodal force groups in a CUDA block should be properly determined to obtain best performance, which is discussed in the following section.
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Element
Element Group 1
Element Group 2
Block 1
Block 2
Block nb
Element
Element Group 3
Element Group 4
Threads Thread 1 Process Forces
Threads Thread 2 Process Forces Thread 3 Process Forces
Threads
Element
Element
Element
Thread ng Process Forces
Fig 5. Nodal Force Group PERFORMANCE OPTIMIZATION The program is developed and tested using NVDIA CUDA Toolkit 2.1, on a GeForce GTX285 GPU. The properties of GTX285 GPU are shown in Table.1. Total amount of global memory Number of multiprocessors Number of cores Total amount of constant memory Total amount of shared memory per block Total number of registers available per block Warp size Maximum number of threads per block Maximum sizes of each dimension of a block Maximum sizes of each dimension of a grid Maximum memory pitch 1073414144 bytes 30 240 65536 bytes (64k bytes) 16384 bytes, 16 banks 16384 (16k bytes) 32 512 512 x 512 x 64 65535 x 65535 x 1 262144 bytes
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Texture alignment Clock rate Concurrent copy and execution Table 1. Properties of GTX285 GPU
256 bytes 1.48 GHz Yes
The 8 nodes isoperimetric element is chosen as element model. To maximize parallel execution, the number of threads per block is carefully chosen. As is recommended by NVIDIA, the best results will be achieved when the number of threads per block is a multiple of 64, and for ideal performance, exceed 192 threads per block is recommended. In practice, best performance is achieved when the number of elements per block is 16 or 32. Because of the 8 nodes element model, the number of threads per block is equal to Equation 5.
256, N e 32 Nt Ne 8 128, N e 16
(5)
Where Nt is the number of threads per block; Ne is the number of elements per block. When problem scale is small (1000 elements), 16 elements per block is a little faster; for large-scale problems, 32 elements per block is a little better. The test results are shown in Table.2: Problem scale 1000 elements, 8000 steps 41232 elements, 4000 steps Problem scale 1000 elements, 8000 steps 41232 elements, 4000 steps 16 elements per block 0.460 sec 6.23 sec 16 elements per block 0.460 sec 6.23 sec 32 elements per block 0.478 sec 6.10 sec 32 elements per block 0.478 sec 6.10 sec
Table 2. Running Time: 16 vs. 32 Elements per Block
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The effective bandwidth of each memory space depends significantly on the memory access pattern. As described in CUDA Programming Guide, global memory bandwidth is used most efficiently when the simultaneous memory accesses by threads in a half-warp (during the execution of a single read or write instruction) can be coalesced into a single memory transaction of 32, 64, or 128 bytes. To achieve maximum global memory bandwidth, the data structures are realigned to thread. Besides, shared memory is used to store nodal forces, for the shared memory space is much faster than the local and global memory spaces, and nodal forces are reused among threads. EVALUATION A simple 1000 elements model is used to verify the algorithm. The model consists of a 10x10x10 hexahedron elements mesh, with the nodes on the bottom constrained, and gravity applied. Fig 6 shows the result comparison between the CPU version and the GPU version. Table 3 shows the time cost comparison. Another instance is a fortress of the Great Wall, which contains 41232 hexahedron elements. The results are shown in Fig 7.
a. CPU version
b. GPU version
Fig 6. Result Comparison between the CPU Version and the GPU Version
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Fig 7. z Result of the Fortress Problem Scale 1000 elements brick, 8000 steps 41232 elements Fortress, 4000 steps Problem Scale 1000 elements brick, 8000 steps 41232 elements Fortress, 4000 steps CPU 252 sec 95 min CPU 252 sec 95 min GPU 0.478 sec 6.10 sec GPU 0.478 sec 6.10 sec
Table 3. Performance Comparison between CPU and GPU The results of the CPU version and the GPU version are not the very same. Average error is less than 0.01%. This is because the parallel algorithm has a different accumulation order from the serial one. The accumulation occurs in the nodal force redistribution procedure. The CPU version accumulates the nodal forces one by one in the order of the elements, while the GPU version has a dif-
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ferent order, which depends on the generation of nodal force group. Besides, the Arithmetic Logical Units on CPU and GPU have different respective error bounds. REFERENCES 1. NVIDIA, NVIDIA CUDA Programming Guide, http://developer.download.nvidia.com/compute/cuda/2_1/toolkit/docs/NVIDI A_CUDA_Programming_Guide_2.1.pdf, 2008. 2. Li SH, Zhao MH, Wang YN, Rao Y, A New Numerical Method for DEMBlock and Particle Model, International Journal of Rock Mechanics and Mining Sciences, 2004, No.41(3), 436, 2004. 3. Liu Tianping, Li Shihai, Liu Xiaoyu, Cheng Kai, A Continuum-based Discrete Element Method of Stochastic Block Shape for Analyzing Stability of Cataclastic Rock Mass Slope, Beijing DEM08, 2008.9.
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CALIBRATION OF DEM MATERIAL MODELS USING OPTIMISATION METHOD IN A GRID PARALLEL SYSTEM
David Curry, Elson Mourao, Richard LaRoche
DEM Solutions Ltd
The predictive power of a DEM simulation depends on the degree to which the parameter values in the chosen DEM material model produce the desired level of approximation of physical bulk particle behaviour. A good way of finding the best parameter values is through calibration using simulated and physical bulk tests to characterize the bulk behaviour of interest. This paper describes how advanced optimization methods combined with simulation using a grid parallel network of computers can be used calibrate a DEM material model.
BACKGROUND Handling and processing of granular materials is a significant factor in the cost of production in many industries. Very often relatively small percentage improvements in performance can produce a substantial increase in production efficiency, a reduction in product waste, or an increase in through-put. Such improvements can be difficult to achieve using a purely empirical approach to equipment and process
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design which limits innovation due to constraints of time and cost required for physical testing, and reliance on correlations specific to particular equipment and operating regimes. The accuracy of the approximation of the mechanical and other properties at the bulk scale is determined by the mechanical and inertial properties of the particles as they interact with each other and their environment. Parameters such as particle size and shape, coefficients of friction, shear modulus, etc. all make up the DEM material model for a particular bulk solid material. In common with other numerical techniques the material models provide a means of scaling the relationships between particle-scale and bulk-scale properties. Current methods for determining suitable material model parameters are based on physical tests sometimes also using comparison of process-scale simulation results against observed behaviour, to tune the model. In many cases, experimentally-derived material properties will not reproduce the desired material behaviour in a DEM simulation to the level of accuracy that is required. Calibration using process-scale measurements can be very time consuming, and is not independent of the particular equipment design and operating conditions used in the test. This paper focuses on the application of the simulated annealing method to calibrating a DEM material model using a grid parallel system [1]. DEM MATERIAL MODEL CALIBRATION METHOD The material calibration method combines laboratory bench tests, EDEM simulation, DOE analysis and application of optimization techniques. The process varies the critical simulation parameters in order to achieve the optimized parameter values that produce simulations that accurately match the experiments. Fig 1 shows a schematic of the method.
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Fig 1. Schematic of Optimization Process. At the heart of this approach is the optimization routine. This performs multiple EDEM simulations and compares the predicted results to the objective function. As it progresses, each variable is changed according to the optimization algorithm and the sensitivity of each material property until the difference between the prediction and the objective function is minimized. The nature of such a method is that many simulations are required to ensure that the closest possible match is achieved. If a large number of parameters are considered to significantly influence the observable then the number of simulations required to complete an optimization can reach many 1,000s. The effort required can be reduced through use of a small test; however it is still a significant cost in terms of time if the simulations are performed in serial. Consequently, the optimization methods implemented have all been selected and coded to make use of a gridded cluster of computers to significantly reduce processing time [1]. SIMULATED ANNEALING APPROACH Simulated annealing is a method that is based on a local search; however it introduces an element of probability (based on a temperature and cooling parameter)
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that enables the algorithm to escape local minimums [2]. To illustrate this approach, an example of parameter calibration for determining an angle of repose of particles through variation of inter-particle static and rolling friction is used. The work was performed using a gridded hardware configuration and automated angle of repose calculation tools. The required repose angle was defined, and the resulting global optimum identified. A starting point was selected that would result in a false optimum for a local, gradient based method. Suitable optimization parameters were set (based on a sensitivity study the simulated annealing inputs) and the simulated annealing approach commenced. Fig 2 shows an example results from the optimization analysis. The path taken is shown in black and the start (red square) and end points (blue square) are also shown. The green square indicates the optimal solution.
Fig 2. Left: Successful simulated annealing optimization of static and rolling friction parameters. Right: A failed optimization run. Fig 3: Left shows a successful path where the optimum result was found in 743 simulations. This equates to 3.8 days using the gridded computing system and a simulation time of 1 hour per individual run. An exhaustive search performed using standard, serial computing hardware would require 416 days to produce the same result from 10,000 simulations.
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Since the simulated annealing method is based on a probability, starting the optimization from the same location with all optimization parameters fixed will result in a different solution. Analysis of the standard implementation indicated that the an optimum would be found achieved 50% of the time. Inspection of failed results demonstrated that the main cause was the algorithm becoming trapped not in a local minimum, but at the extremity of the parameter space (Fig 3: Right). The simulated annealing algorithm was refined to introduce a check that limits the number of iterations allowable at the extremes of a parameter. If this limit is reached, then the algorithm will restart from a randomly chosen location in the parameter space. Fig 3 shows the path, including restart event, consisting of 835 simulations (= 4.3 days) taken by the advanced simulated annealing algorithm. Introducing the restart capability refinement increased the success ratio from 50% to 95-100% for simulated annealing.
Fig 3. Path taken by simulated annealing algorithm with restart enabled.
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SUMMARY Incorporating DEM simulations early in the design process can have major impacts on revenue in terms of savings and improved margins. Savings can be found in reduced design cycles, faster time-to-market, more efficient operation, and reduced prototyping and testing costs. Greater profits can be found by reducing product costs by eliminating over-designed parts and inefficient processes. Technically, DEM software such as EDEM provides the simulation tools needed. However to achieve maximum technical and financial benefits from DEM simulation attention needs to be given to calibration of DEM models of bulk materials to provide the necessary quality of engineering data at the required scale. With access to a gridded computing system, advanced global optimization procedures can be applied to converge on DEM Material Model parameters using simulations of physical bench tests from which the same observables as those measured are extracted. These advanced methods, in conjunction with the grid capability, greatly reduce the simulation effort required to calibrate the material and interaction parameters that define a DEM Material Model of a real-life bulk system. REFERENCES 1. E. Mourao, Grid Parallel Computing System for Calibration of DEM Material Models, submitted to DEM5, 2010. 2. How to Solve It: Modern Heuristics, 2nd Edition, Michalewicz & Fogel, 2004.
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5 FRACTURE AND FRAGMENTATION, CRACKS
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DEVELOPMENT OF DISCRETE ELEMENT METHOD FOR SIMULATION OF DEFORMATION AND FRACTURE OF HETEROGENEOUS ELASTOPLASTIC MATERIALS
Sergey G. Psakhie, Evgeny V. Shilko, Alexey Yu. Smolin, Sergey V. Astafurov, Artem Yu. Panchenko*
Institute of Strength Physics and Materials Science SB RAS, Tomsk, Russia *Tomsk State University, Tomsk, Russia
Authors propose an approach to realize relations of elasticity and plasticity models, which are conventionally written in terms of stress/strain tensor components, within the framework of discrete element approach.
INTRODUCTION Discrete element method (DEM) is known to be a reliable tool for simulation of deformation and fracture of condensed media of various nature. The term DEM combines various realizations of the approach to modeling the solid by ensemble of interacting bodies (particles) having final size and defined shape. Evolution of ensemble is governed either by Newtons equations of motion or system of equations for potential energy minimization [1]. An important problem in DEM is formulation of particle interaction, which provides mechanical response of particle ensemble conforming to simulated material or media. In spite of considerable progress in DEM, up to now two-particle forces are mainly used [1,2]. This may lead to a series of difficulties. Particularly, use of pair interaction makes additional
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problems in correct simulation of irreversible strain accumulation in ductile materials. Analysis of state of the art shows that described problems can be solved even on regular packing of equal size elements with use of many-body interaction forces. An approach to building the expressions for normal and tangential interaction of discrete elements simulating isotropic elastoplastic medium is proposed in the paper. The approach is realized within the framework of two-dimensional version of the movable cellular automaton (MCA) method [3], which can be considered as one of realizations of discrete element approach. DESCRIPTION FORMALISM OF ELASTOPLASTIC MEDIUM WITH MCA
Proposed approach is based on use of conventional models of elasticity (or elastoplasticity) for formulation of normal and tangential interaction of discrete elements (movable cellular automata). Unlike conventional DEM formalism [2], within the framework of the MCA method rheological properties are assigned to individual element (or kind of elements) and not to the interacting pair. Because of this, each element is characterized by personal parameters of elasto-plastic response. Conventional models of isotropic elasticity and elastoplasticity are formulated in terms of stress () and strain () tensor components, whereas within the framework of DEM main local parameters are element interaction force and relative displacement vectors. Authors propose an approach to formalization of interrelation between local values of stress/strain tensor components and force/displacement vectors in pairs of interacting cellular automata (elements). It is based on the following four approximations (quasi-two-dimensional realization of the MCA method is considered below): 1. In the local coordinate system of considered pair i-j (Fig. 1) strain tensor components yy and xy are associated with normal (ij) and shear (ij/2) relative displacements normalized by automaton size. Their values are calculated by increments:
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ij
d i d j 2
ij
rij
qij di 2
q ji dj 2
i j j i
(1)
ij Vshear t i j j i rij
where symbol hereinafter indicates increment of corresponding parameter during one time step t, rij is the distance between mass centers of automata i and j (Fig. 1), qij and qji are the distances from mass centers of automata i and j to the center of contact area (qij+qji=rij), d is size of automaton, i(j) and j(i) are strains of automata i and j in i-j pair, i(j) and j(i) are contributions of automata i and j to the total value ij. 2. In the local coordinate system of the pair i-j stress tensor components yy and xy are associated with specific normal (ij) and shear (ij) interaction forces as follows:
ij Fnorm ij S ij
(2)
ij Ftan g ij S ij
where Sij is area of contact between automata i and j. 3. Association for stress tensor component xx cannot be found considering i-j pair independently of surrounding automata. In the simplest case it can be defined following the procedure in [4]. Nevertheless, more correct approximation is based on stress homogenization procedure [2,5]:
ixxj
1 Vi
qik S ik cos ij ,ik cos ij ,ik ik sin ij ,ik ik

k 1
Ni
(3)
where Ni is number of neighbors of automaton i, Vi is the volume of automaton i, cos(ij,ik) is defined as shown in the Fig. 1 b.
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both cases ixzj iyzj 0 .
4. Stress tensor component zz could be found using plane stress state K ( izzj 0 ) or plane strain state ( izzj ij ixxj ) approximation. In 2K
hij di i rij j dj
m
j
k
i
g l
ij,ik
X
Fig 1. Definition spatial parameters of the pair ij (a) and instantaneous local coordinate system (b) Described statements give the possibility to calculate normal and shear forces of interaction of cellular automata whose ensemble simulates isotropic linearly elastic medium. Specific normal force (ij=ji=yy) in i-j pair, as well as strains i(j) and j(i), are calculated in an incremental fashion by rewriting Hookes law for diagonal stress tensor component yy:
ij ji i i j 1 i K i i j m j j i 1 j Kj j i m
(4)
where i and Ki are elastic constants of material of the automaton i, mean stresses j im j and mi are taken from the previous time step
j ( im j ij ixxj izzj 3 , mi is calculated in the same way).
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Specific tangential (shear) interaction force in i-j pair (ij=ji=xy) as well as strains i(j) and j(i) are calculated following rewritten Hookes law for nondiagonal stress tensor element xy:
ij ji j i i j j i 2 2
(5)
Proposed association of specific forces and relative displacements of automata (discrete elements) with local values of stress and strain tensor components seems to be general for all realizations of DEM and provides potential possibility to implement various models of elastoplastic or viscoelastoplastic media. In particular, the authors applied the proposed approach to realize deformation plasticity theory with elastic unloading (DPT) and incremental plasticity theory (IPT). Implementation of the DPT is based formally on the same expressions (1)-(5) which were used for the model of linear elasticity. The main difference is connected with variable value of modulus within the framework of DPT (ii(j)). Current (instantaneous) value of i(j) is calculated from assigned relationship int int for material of automaton i (when following the loading surface) or possesses its elastic value (when being inside the loading curve). Stress intensity for automaton i in i-j pair is calculated as follows:
iintj
1 2

i j xx 2 ij
ij
izzj

2 i j zz i j xx
2 6 ij
(6)
Implementation of IPT is carried out similarly, however expressions (4)-(5) are replaced by the other relations. Testing of the developed approach showed that an ensemble of interacting movable cellular automata demonstrates macroscopically isotropic mechanical response even in case of uniform packing of equal-size elements. Comparison of the results of a series of tests with results of FDM simulation with use of the same plasticity models showed their close fit. This argues for correctness of the proposed approach and gives grounds for its application to simulation of heterogeneous elastoplastic materials and media.
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CONCLUSION The authors proposed an approach to build associations between the components of stress/strain tensor of simulated medium and the inter-automaton forces/displacements. The proposed associating allows one to rewrite relations of the applied model of plasticity (these are conventionally written in terms of stress/strain tensor components) in terms of forces and displacements or their increments. The developed approach provides potential possibility to realize various models of elastoplastic or viscoelastoplastic media in the framework of DEM. Furthermore, it allows one to get isotropic deformation pattern even on regularly packed particle ensembles. Additional advantage of the proposed approach is the possibility of direct use of conventional multiparametric fracture criteria (HuberMises-Hencky, Drucker-Prager, Mohr-Coulomb, Podgorski etc.), which are written in tensor form. ACKNOWLEDGMENTS The investigation has been carried out within the Project No.2 of RAS Presidium Program No.11, at partial financial support of the RFBR Grant No. 09-0500968- and Russian science support foundation. REFERENCES 1. L. Jing, O. Stephansson, Fundamentals of discrete element methods for rock engineering: theory and applications, Elsevier, 2007. 2. D. Potyondy, P. Cundall, A bonded-particle model for rock, Int. J. Rock Mech. Min. Sci., 41, No.8, 1329-64, 2004. 3. S. Psakhie et al. Movable cellular automata method for simulating materials with mesostructure, Theor. Appl. Fract. Mech., 37, No.1-3, 311-34, 2001. 4. S. Psakhie et al., Interpretation of the parameters of the method of movable cellular automata on the basis of continuum description, Phys. Mesomech., 3, No.3, 89-92, 2000. 5. A. Love, A Treatise on the Mathematical Theory of Elasticity, Cambridge Univ. Press, 1927.
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FRACTURE BEHAVIOUR OF HIGHLY POROUS CERAMICS

Xiao-xing Liu and Christophe L. Martin
Laboratoire SIMaP GPM2, Grenoble-INP, BP46, 38042 Saint Martin dHres cedex, France. Email: christophe.martin@grenoble-inp.fr
A discrete element model for the elastic and fracture behaviour of highly porous ceramics is presented. It uses elastic force-displacement laws to represent the bonds formed between particles during sintering and accounts for bond fracture. Using numerical microstructures generated by a sintering model, we compute the effective strength of these microstructures in tension and compression. Simulation results are quantitatively compared to experimental data on alumina ceramics at various porosities.
INTRODUCTION Applications of porous ceramics are numerous: thermal isolators, filters, electrodes for SOFC or SOEC (Solid Oxide Fuel or Electrolyser Cells), and membranes. Fundamentally, there is an inherent contradiction for these applications between the optimal microstructure for functional performance (high porosity) and mechanical performance (low pore volume). These porous ceramics are obtained by partial sintering at high temperature of powders leaving typically 20 to 50% porosity. Thus, the discrete character of the ceramic material needs to be taken into account when modelling its mechanical behaviour. To our best knowledge, the only attempt to use DEM for simulating the fracture of highly porous
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ceramics was described in [1] on complex mullite/alumina mixtures. These authors enriched the model developed in [2] to incorporate the fracture of bonds between sintered particles. The model presented in this paper accounts for the elastic and fracture behaviour of the solid bonds formed between the discrete particles that have sintered together. The microstructure that mimics the porous ceramic is obtained from a sintering numerical procedure described in [3]. MODEL DESCRIPTION Particles that have partially sintered are modelled as truncated spheres overlapping geometrically (Fig. 1). The normal and tangential forces between two bonded particles with elastic constants (E, ) and bond radius ab are given by:
Nb =
E f N ab u N , 1 2
Tb =
2E f au , ( 2 )(1 + ) T b T
(1)
where the f N and fT describe the interaction between neighbouring bonds [2] and uN and uT are the normal displacement (tensile or compressive) and the accumulated tangential displacement, respectively. Note that bonds transmit resisting moments, M N and M T , in the normal and in the tangential direction respectively.
R1+ R2-hb R2
R1+ R2-hb+uN
ab R1
MT MT MN Nb (a) Tb Nbb (b) (c) T
1. The three possible stages of a solid bridge forming a bond between two particles. (a) Initial status. (b) Broken bond. (c) Resumed contact after fracture.
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Bond failure occurs when the tensile or the shear stress is larger than a critical value c , determined from the singular stress field along the edge of the bond [4]:
c =
E , 2 1 ab
(2)
where is the bond toughness that we approximate to the surface energy contribution ( 2 s =1 J.m-2). Elastic properties are taken from the fully dense alumina material (E=400GPa). The contact law of a broken bond between two particles that have resumed contact has been detailed in [5]. It allows the broken bond geometry to be taken into account in a simplified manner (Fig. 1c).
ELASTIC AND FRACTURE BEHAVIOUR
Two planes bonded to the particles are used to impose a tensile or a compressive strain to the 3D rectangular samples which are made of 10,000 particles typically. Fig. 2 shows the typical fracture patterns in tension (a crack growing from the free surface) and in compression (shear bands developing at 45). The axial stress is calculated from the total reaction forces on the planes
Fig 2. Typical fracture behaviours in tension (left) and compression (right). Colours indicate the number of broken bonds per particle.
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a)
b)
Fig 3. a) Typical stress-strain curves in tension and compression for 0.72 relative density (28 % porosity) and b) Evolution of fracture stress in tension and compression with relative density. The typical stress-strain curves for tension and compression tests are shown in Fig. 3a, demonstrating that the material behaviour is symmetric in tension and compression in the elastic zone but that the behaviour is much more brittle in tension than in compression, as it should. Systematic tests were carried out at various relative densities. Fig. 3b shows that strength increases as density increases (or as porosity decreases). It should be noted that high temperature sintering of ceramics proceeds by an enlargement of solid bonds between particles (the ab radius) and by an increase in the average number of contacts per particle. These two phenomena explain the resulting strength of the porous ceramics at room temperature. Fig. 3b also shows a comparison with four-point bending tests on alumina [6]. The comparison is rather satisfying considering that only the elastic constants were fitted to the experimental data. Thus, the value of the bond toughness, which we have approximated to twice the typical surface energy for ceramics ( 2 s =1 J.m-2), leads to a very good agreement. This would indicate that fracture at the length scale of the submiconic size bonds between ceramic particles, which are typically 1 m in size, does not operate by any dissipative mechanisms like plasticity, crack tilting or twisting. Rather, the only work needed at this length
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scale would be the one used to create two free surfaces. Note also that this microscopic value of the toughness is much smaller than the macroscopic toughness at the macroscopic scale (typically closer to 40 J.m-2 from experimental data).
CONCLUSIONS
We have presented a realistic model for the fracture of porous ceramics using DEM. Building from a contact law derived for sintered contacts, we show that such a model is able to represent both qualitatively and quantitatively the behaviour of highly porous ceramics that have been partially sintered from powders. The advantage of building a model with realistic contact laws which introduce measurable material parameters (elastic constants typically) rather than artificial contact stiffness is that it allows for a critical comparison with experimental data. This comparison allows realistic scenarios on the fracture mechanics at the microscopic scale to be proposed. Finally, it should be noted that it would be simple to apply this model to introduce initial defects in the numerical sample. Notched samples, for example, would allow partially sintered samples to be tested within the framework of fracture mechanics by calculating the fracture toughness of the numerical sample at the macroscopic length scale.
ACKNOWLEDGEMENT
The Agence Nationale pour la Recherche (ANR) is greatly acknowledged for financial support (ANR-07-PANH-009 project).
REFERENCES
1. H Fujita, G Jefferson, R M McMeeking, F W Zok. Mullite/alumina mixtures for use as porous matrices in oxide fiber composites. J. Am. Ceram. Soc. 87, 261 - 267 (2004). 2. G. Jefferson, G.K. Haritos, R.M. McMeeking, The elastic response of a cohesive aggregate - A discrete element model with coupled particle interaction J. Mech. Phys. Solids, 50, 2539-75, 2002.
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3. C L Martin, H Camacho-Montes, L Olmos, D Bouvard, R K Bordia. Evolution of Defects During Sintering: Discrete Element Simulations. J. Am. Ceram. Soc. 92, 1435 - 1441, 2009. 4. L B Freund, E Chason. Model for stress generated upon contact of neighboring islands on the surface of a substrate. J. Appl. Phys. 89, 4866-4873, 2001. 5. C. L. Martin, D. Bouvard, G. Delette, Discrete element simulations of the compaction of aggregated ceramic powders J. Am. Ceram. Soc., 89, 3379-87, 2006. 6. T Ostrowski, J Rdel. Evolution of Mechanical Properties of Porous Alumina during free Sintering and Hot Pressing. J. Am. Ceram. Soc. 82, 3080-3086, 1999.
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NUMERICAL STRATEGY FOR DISCRETE FINE CRACKING DESCRIPTION WITH CONTINUOUS MODEL
Arnaud Delaplace1 , Benjamin Richard2 , Ccile Oliver1 , e 1 Frdric Ragueneau e e

1
LMT Cachan (ENS Cachan/CNRS/Universite Paris 6/UniverSud Paris) 61, avenue du Prsident Wilson, 94235 Cachan, France. e 2 University Paris-Est, Laboratoire Central des Ponts et Chausses, France e
This study deals with a combined continuous/discrete model for describing cracking in brittle heterogenous materials like concrete. The proposed idea is to use a macro description at the structure level, and a discrete model as a reanalyzing tool of the damage area with the objective of providing a ne crack description. This numerical strategy is exposed and applied to a single cracking test. An extension will be proposed to a reinforced structure, for which the interface between concrete and rebars plays an important role in cracking phenomena.
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INTRODUCTION
The description of damage zones in large scale structures is nowadays possible with a Finite Element code and an appropriate damage model. But a ne description of cracking (crack pattern, crack opening, crack tortuosity) has become a new requirement, especially when dealing with structure durability. A numerical strategy, based on (i) a full resolution at a macroscale with a continuous model and (ii) a reanalysis (seen as a post-treatment) of the damage zones at a meso-scale with a discrete model is proposed. After a summary of the method, a numerical illustration on the classical Geers beam is proposed. An extension to reinforced structure is under progress and will be presented during the conference.
NUMERICAL STRATEGY
The main assumption of the proposed strategy is to suppose that the continuous model used at the macroscopic scale (the structure scale) is pertinent and gives a reliable description of the damage areas. In the following, a damage model expressed within the framework of the irreversible processes thermodynamics is used [1, 2]. It is dedicated to the description of concrete behavior, taking into account the dissymmetry between the behaviors in tension and in compression. The discrete model used to reanalyze the damage zone is based on a Voronoi particle assembly, linking by brittle beams [3, 4]. This model has been successfully applied to the study of brittle material, either in 2D or 3D [5, 6]. Once the computation at the macroscopic scale is done, a sub damage region R is reanalyzed at the mesoscopic scale. The loading condition is an imposed displacement eld computed from the macroscale analysis and applied to the boundary Ru of R (gure 1). A Neumann condition is considered on the free boundary (i.e. .n = 0 where is the stress tensor and n the normal of the considered boundary).
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DEM5-2010, London, 25-26 August 2010 R
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1 F 11
Ru
10 F 11
Figure 1. A scheme of the Geers beam, with the reanalyzed region R. Bold lines represent the boundary Ru where the imposed displacement is applied.
NUMERICAL EXAMPLE
The strategy is applied to the study of the crack propagation on a single notch beam [7, 8]. We focus on the central part of the beam (gure 1), where the damage grows around the notch. A rst analysis is performed at the macroscale, leading to the damage map represented on the left side of gure 3. For different loading steps, the discrete analysis is performed using the interpolated displacement eld computing at macroscale. An example of such imposed displacement eld is shown on gure 2.
Figure 2. The discrete mesh superimposed with the nite element mesh in the deformed elastic conguration.
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The iterative process is necessary when dealing with non linear behavior. The initial state of each mesoscale analysis is taken as the cracking pattern computed during the previous analysis. As it will be discussed, an important point is that the number of reanalyses at mesoscale could be lower than the number of steps performed at macroscale. As expected, one can observe a good agreement between the damage zone ((gure 1)-left) and the cracking pattern ((gure 1)-right), although the macro- and micro- models are based on opposite assumptions. Some considerations about the distance between the two models will be addressed.
Figure 3. The cracking pattern obtained with the proposed strategy.
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CONCLUSION
We described a numerical strategy to obtain a ne description of cracking on a large scale computation. The main feature of this strategy is that it can be seen as a post-treatment and does not need a non intrusive modication of the macroscale analysis. It can be applied to brittle material as well as reinforced material as it will be presented during the conference.
References
[1] F. Ragueneau, C. La Borderie, and J. Mazars, Damage model for concrete like materials coupling cracking and friction, contribution towards structural damping: rst uniaxial application, Mechanics Cohesive Frictional Materials, vol. 5, pp. 607625, 2000. [2] B. Richard, F. Ragueneau, C. Cremona, L. Adelaide, and J. Tailhan, Isotropic continuum damage mechanics for concrete under cyclic loading: stiness recovery, inelastic strains and frictional sliding, Engineering Fracture Mechanics, vol. in press, 2010. [3] J. G. M. Van Mier, M. R. A. Van Vliet, and T. K. Wang, Fracture mechanisms in particle composites: statistical aspects in lattice type analysis, Mech. Mater, vol. 34, pp. 705724, 2002. [4] G. A. DAddetta, F. Kun, and E. Ramm, On the application of a discrete model to the fracture process of cohesive granular materials, Granular Matter, vol. 4, pp. 7790, 2002. [5] A. Delaplace and R. Desmorat, Discrete 3d model as complimentary numerical testing for anisotropic damage, International Journal of Fracture, vol. 148, pp. 115128, 2007.
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[6] A. Delaplace, Tensile damage response from discrete element virtual testing, Geomechanics and Geoengineering, vol. 4, pp. 7989, 2009. [7] E. Schlangen, Experimental and numerical analysis of fracture processes in concrete. PhD thesis, Delft University of Technology, 1993. [8] M. G. D. Geers, R. de Borst, and R. H. J. Peerlings, Damage and crack modeling in single-edge and double-edge notched concrete beams, Engineering Fracture Mechanics, vol. 65, no. 2-3, pp. 247 261, 2000.
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Implementation of 6-node element in DFEM for quasi-brittle materials

Xu Chunhui Li Mingrui Y uan Li College of Science, China Agricultural University, Beijing 100083, P. R. CHINA Abstract A new 6-n ode fi nite deformation el ement is in troduced i n t he d iscrete fin ite e lement method (DFEM) for treating th e quasi-brittle materials. Com paring the num erical precision, convergence r ate and t he ti me consum ption of the 6- node element w ith th ose o f the 3-n ode element, it demonstrates t he worthiness to be adop ted in application though we h ave to use the 3-point integration instead. In the implementation to the strain-softening materials of anisotropic rotating sm eared cra ck m odel t he 6-node e lement ac tually shows higher ef ficiency a nd m ore precise than the 3-node element while using an even larger time integration step. A new method of node splitting and explicit contact searching algorithm of the 6-node element are introduced.
Key word: 6-node element, Quasi-brittle materials, Rotating smeared crack model
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ROCK IMPACT MODELLING USING FEM/DEM

Andrea Lisjak, Giovanni Grasselli
Geomechanics Research Group, Lassonde Institute, Department of Civil Engineering, University of Toronto, Canada
The accurate simulation of rock i mpact physics is a pivotal aspect of modeling rockfall phenomena. In the current study we present the i mplementation of a new dissipative contact interaction algorithm in the combined fin ite discrete-elem ent method (FEM/DE M) Y-code. The numerical results show how the energy loss process during impact can be reproduce d and different coefficients of restituti on obtained. Finally, the effect of fracturing is analyzed.
INTRODUCTION Over the past three decades m any expe rimental and num erical studies have been carried out aimed at understanding the mechanics of rockfall. Ultimate scope of these stu dies is the predic tion o f traje ctories and velo cities of f alling rock blocks, and energies associated to rockfalls. Several energy dissipation mechanisms may contribute to the observed velocity reduction of a boulder during its fall. Neglecting air friction and reduction in slope angle, all causes of energy loss are rela ted to th e rock-s lope intera ction such as plastic deform ations at contact, rate depe ndent m aterial behavi or, elastic waves, crushing, fracturing, friction. Since the en ergy dissipation during a rockfall event is strictly related to the contact between colliding bodies, the impact model plays a key-role in the num erical sim ulation of the phenom enon. The m ost widely adopted approach is to use lum ped-mass models in which socalled coefficients
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of restitution account for energy loss dur ing each im pact. The m ain limitation of these num erical tools is the general inabil ity to consider factors such as boulder shape, rotational velocity, block fractur ing and fragm entation and subsequent fragments interaction. ENERGY DISSIPATION IN FEM/DEM In order to overcom e the lim itations m entioned above and correctly sim ulate rockfalls, the com bined finite-discr ete elem ent m ethod (FEM/DEM) Y-code (Munjiza, 2004) was employed. To specifica lly account for the loss in kinetic en ergy during the impact of a rock block against the sl ope, a new energy dissipation mechanism was added to the three alre ady implemented in the FEM/D EM code. In general, the total amount of energy dissipated by a system can be expressed as: Ediss = Edamp + Wfric + Wfrac + Econt (1) where Edamp is the energy dissipated through viscous dam ping; Wfric is the f rictional work; Wfrac is the work done to propagate fractures; Econt is the energy dissipated at the contact. Viscous da mping acts by reduc ing the am plitude of elas tic oscilla tions in th e continuum body. In Y-code viscous dam ping is added as an additional term in the finite element stress strain constitutive law. Frictional dissipation occurs at the inte rface between discrete elem ents and, in Y-code, it is im plemented as a function of the f riction coefficient, normal stres s and sliding distance. During the fracturing process fracture nuc leation and growth dissipates energy through (i) the creation of new surfaces and (ii) plastic deform ations ahead of the crack tips. In order to account for both processes, a combined single and sm eared crack m odel (Munjiza, 2004) is im plemented in FEM/DEM code. A new algorithm has been added to calcu late the energy dissipated through fracturing based on the integration of the product of nodal ve locities and forces acting on joint cohesive elements with respect to time. Ma terial parameters that ultim ately control the amount of energy spent for fracturing ar e fracture energy release rate; tensile strength; cohesion; friction angle.
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The original Y-code does not include a ny feature for dissipating energy at the contact. Thus, a new algorithm wa s im plemented as discussed in the following section. DISSIPATIVE CONTACT INTERACTION ALGORITHM To simulate rockfall phenomena, the introduction of the last term in Eq. 1 was necessary since, as seen in the field, most of the kinetic energy in rock impact is lost during the compression-rebound process at the contact. Therefore, the original contact interaction algorithm im plemented in Y-c ode (Munjiza et al., 2000) was modified based on the model proposed by An et al. (2007). In Y-code the interaction of two dis crete elements is based on a penalty function method: contacting elements are allowed two penetrate each other resulting in contact stresses proportional to the over lapping area through a normal penalty coefficient. If the pen alty coefficient, wh ich ultimately represents the con tact stiffness, is constant during bot h loading and unloading the m odel elastic behavior is reproduced and energy is preserved. Howe ver, if during the restitution phase the stiffness is varied, damping can be intr oduced into the m odel by numerically removing kinetic energy from the element contacting couples. Specifically, the elas ticpower damping contact model illustrated in Fig 1 was implemented. In its im plementation, two c ontact parameters are needed. The first is the initial normal penalty coefficient, p, which represents the com pressive stiffness of the boulder-slop e interface and aff ects the rate at w hich con tact stresses are developed. The second is the power dam ping exponent, B, which plays a crucial role in contro lling the energy d issipation: the higher th e value the large r the amount of energy dissipated. NUMERICAL EXAMPLE In orde r to illustrate the newly implem ented contac t a lgorithm, the m odel shown in Fig 2(a) was created. It consists of circular boulder having a radius of 0.1m and impacting vertically against a rigid ground. Since the acceleration of gravity is neglected only inertial forces are considered. The density of the boulder is 2,700kg/m 3. The kinetic energy of the boulder before im pact, KE b, is equal to 4.1kJ. The normal penalty coefficient, p, of the rock-ground interface is 40MPa.
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Fig 1. Elastic power damping contact constitutive relationship.
Fig 2. (a) Model used to evaluate the energy dissipation during impact and (b) kinetic energy of the boulder for different values of the power damping exponent.
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In a f irst se t of sim ulations the bou lder was not allowed to fracture, viscous damping was set to zero and therefor e the effect of varying the exponent B of the contact model was studied. Fig 2(b) presents the kinetic energy of the boulder as a function of time for B values equal to 1, 2, 5, 10 and 20. The energy and velocity coefficient of restitution are reported in Table 1. By changing B the amount of kinetic energy removed from the system can be adjusted in order to obtain coefficients of restitu tion suc h as those experim entally m easured (ie, Azzoni et al. 1995). Power damping exponent, B 1 2 5 10 20 RKE (KEafter/KEbefore) 0.93 0.58 0.28 0.16 0.09 RV (Vafter/Vbefore) 0.96 0.76 0.53 0.40 0.30
Table 1. Kinetic energy and velocity coefficients of restitution for different values of the contact power damping exponent B. Finally, the sim ulation of rock fragm entation during rock fall events is im portant because it can p roduce small fragments having trajectories and velocities different from those of the im pacting block. The effect of fra cturing on impact behavior was analyzed in a sim ulation with B=5 while allowing rock breakage. The following rock strength param eters were used: friction angle = 45 o; cohesion = 12MPa; ten sile strength = 5MPa ; f racture energy release rate = 20J /m2. Fi g 3 shows how upon i mpact a number of fragments detach from the boulder and start moving in horizontal direction. From an energy point of view, by allowing fragmentation in the m odel, a further reduc tion of total kinetic energy was observed with respect to the elastic case. Approxim ately 0.5 kJ were dissipated because of the fragm entation process and friction be tween broken rock fragm ents, 30% of which was spent to create new fractures.
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Fig 3. Impact simulation with fracturing boulder. CONCLUSIONS This study shows that the new modified FEM/DEM code is capable of simulating the energy loss that is observed during rock fall im pacts. Friction, fracturing and non-conservative forces acting during ro ck impact are directly taken into account and a calibration based on experim ental coefficients of restitution is possible. Future work will focus on the simulation of in-situ rockfall tests. ACKNOWLEDGMENTS The Y2D FEM/DEM code was originally developed by Antonio Munjiza from Queen Mary - University of London. REFERENCES 1. A. Munjiza, The combined finite-discrete element method, J. Wiley & Sons, 2004. 2. A. Munjiza, K.R.F. Andrews, Penalty function m ethod for com bined finitediscrete element systems comprising large number of separate bodies, International Journal for Numerical Methods in Engineering, 49, 1377-1396, 2000. 3. B. An, D.D. Tannant, Discrete elem ent method contact model for dynam ic simulation o f inelastic rock im pact, Computer & Geosciences, 33, 513-521, 2007. 4. A. Azzoni, M.H. de Freitas, Experim entally gained param eters, decisive for rock fall analysis. Rock Mechanics and Rock Engineering, 28, 111-124, 1995.
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6 GRANULAR MATERIALS, POWDERS AND NANOPOWDERS
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THE 3D SPLASH BEHAVIOR FOR THE IMPACTING OF ONE PARTICLE ON A PARTICULATE PACKING
Mao Xing1,2, Chuanyu Wu2, Michael J. Adams2
1.Mining Technology Institute, Taiyuan University of Technology, Taiyuan, PR China 2.School of Chemical Engineering, University of Birmingham, Birmingham, UK
The 3D splash process induced by impacting of one particle was simulated by DEM and the distributions of the speed and angle of ejected particles were analyzed. It was found that the ejection number is proportional to the total absolute momentum of the ejected particles and the mean angle between the ejection direction and horizontal plane is unexpectedly independent of both impact speed and incident angle and is around 80, the distribution of ejection speed is approximately an exponential function. INTRODUCTION The impact-ejection process on a particulate packing is critical to understand the aeolian sand transport. Many experimental observations and numerical simulations [1~4] have indicated that sand grains are ejected from the sand bed by the impact of saltating grains. Anderson and Haff [1] ever developed a numerical model for aeolian sand transport on the basis of the impact-ejection scheme. They presented a splash function by analyzing the simulated results of the ejection speeds and angles statistically. Wind tunnel experiments [2~4] were also carried out to investigate the probability distribution of the ejection state and its relation-
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ship with the impact state of the saltating particles. However, these researches are all restricted to 2D analysis. For exploring further realistic characteristics of sand transport, it is essential to study the impact-ejection process in 3D space. Recently, Beladjine et al. [5] and Ammi et al. [6] researched the impactejection process for sand transport experimentally with a 3D mono-sized granular packing impacted by one particle at various speeds and directions. The 3D dynamic behavior was revealed by their experiments, but their results are restricted by using given type of mono-sized particles with given physical property in the experiments. In order to obtain further insight into the interaction between the particles and their ejection mechanism and to obtain a general splash function for a wide range of sand grain size, the 3D numerical simulation with discrete element method is a powerful approach. This is the main purpose of this paper. EQUATIONS FOR PARTICLE-PARTICLE INTERACTION The simulation was performed using the DEM code in University of Birmingham. The interactions between contiguous particles were modeled according to the theories of Hertz for the normal interaction and Mindlin & Deresiewicz for the tangential interaction, see Thornton & Randall [7], Thornton & Yin [8]. SIMULATION METHODOLOGY Bed preparation The simulation region is a rectangular box with the dimension of 0.0150.0150.015 m, and a 3D granular bed was formed in its lower part with 50000 mono-sized particles and has the dimension of 0.0150.0150.006 m. The particle is spherical and its size is 300 m. The mechanical properties of the particles used are: Youngs modulus E=54 GPa, Poissons ratio =0.3, and the coefficient of friction between the particles =0.3. One particle with the identical size and mechanical properties was generated in the upper part of the simulation region above the bed and was shot onto the bed at given speeds and angles. Test procedure The incident particle impacted onto the packing at various speeds in the range of 3~10 m/s and at various angles in the range of 40~80. Representatively, at
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each impacting condition, the simulation was repeated for several times at various positions to obtain more than 500 ejected particles. The ejected particles were identified only if the particles reach the height greater than one particle diameter above the bed. The evolution of inter-particle contact force and the velocity of each particle in the simulation region were calculated. The x, y, z components of the initial speeds of the splashed particles were recorded. We define two angles characterizing ejected particles (see Fig 1), which are the ejection angle measuring the angle between the ejection direction and the horizontal plane, and the azimuthal angle representing the deviation of the ejection direction from the incident plane. The angle is restricted to vary between 0 and 90, while can vary between 180 and +180 (=0 corresponds to the shooting direction).
Fig.1 Schematic diagram of the impact and ejection directions RESULTS AND DISCUSSIONS Number and speed of ejected particles Fig. 2(a) shows that the number of ejected particles is proportional to their total absolute momentum. Fig. 2(b) shows the mean ejection speed slightly increases with the increasing impact speed. This means that the increase of the impact energy mainly motivates more particles to eject but slightly affect their mean ejected kinetic energy. Distributions of ejected particles
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350
0.5
total absolute momentum -8 -1 (10 kg m s )
300 250 200 150 100 50 0
(a)
mean ejection speed (m/s)
(b)
0.4 0.3 0.2 0.1 0.0 2 3 4 5 6 7 8 9 10 11
50
100
150
200
250
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350
ejection number
impact speed (m/s)
Fig.2 relationship between ejection number and momentum at the impact speed of 10 m/s (a) and mean ejected speeds as functions of impact speeds (b) Fig. 3(a) is the mean ejection angle as a function of impact speed and impact angle. It is surprising that the mean ejected angle is independent of both impact speed and impact angle, and is a constant around 80. The ejected angles vacillate around 80 in a small range. This is coincident with Ammi et al.s experiment result [6] except that they reported the ejection angle is around 60due to their particles with different packing geometry from that in this simulation. The mean azimuthal angle is about 0 and the ejection direction distributes symmetrically around the incident plane. It was also found that for different impact speeds
90 85
Vi=10 m/s Vi= 8 m/s Vi= 6m/s Vi= 5m/s fitted line
mean ejection angle
80 75 70 65 60 55 50 2 3 4 5 6 7 8 9 10 11
0.1
Density
0.01
(a) impact speed (m/s)
1E-3
(b) ejection speed (m/s)
0.05 0.10 0.15 0.20 0.25 0.30 0.35 0.40 0.45 0.50
Fig.3 mean ejection angle as a function of impact speed (a) and the distribution of ejection speed (b)
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and angles, the form of the probability distributions of the ejection speed are all similar. Fig.3(b) are the probability distributions of ejection speeds which can be fitted by exponential functions. CONCLUSIONS 3D DEM simulation about the splash process on a granular bed was performed and the ejection behavior was analyzed statistically. This model is proved to be valid for the investigation of the impact-ejection process by the published experimental data. It is believed that the increase of impact speed slightly increases the mean ejection speed but significantly increases the number of ejected particles which is proportional to their total absolute momentum at a given impact speed. It is confirmed that the angle between the mean ejection direction and the horizontal plane is a constant around 80, the ejection directions distributes symmetrically around the incident plane. The probability distribution of ejection speeds can be fitted by an exponential function. ACKNOWLEDGMENTS This work was financially supported by the National Natural Science Foundation of China (Grant No. 50706031) and the Natural Science Foundation of Shanxi province in China (Grant No. 2008021005) REFERENCES 1. R. S. Anderson, P.K. Haff, Simulation of eolian saltation, Science, 241: 820823,1988 2. Z. B. Dong , X. P. Liu, F. Li, H. T. Wang, A. G. Zhao, Impact-entrainment relationship in a saltating cloud. Earth Surface P rocesses Landforms. 27:641 58, 2002 3. M. Rice,B. B. Willetts, I. K. McEwen, An experimental study of multiple grain-size ejecta produced by collisions of saltating grain with a flat bed. Sedimentology. 42, 695-706, 1995 4. B. T. Werner, P. K. Haff, The impact process in eolian saltation: two dimensional studies, Sedimentology, 35:189-196, 1988
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5. D. Beladjine, M. Ammi, L. Oger, A. Valance, Collision process between an incident bead and a three-dimensional granular packing, Physical Re view E , 75(061305):1-12, 2007 6. M. Ammi, L. Oger, D. Beladjine, A. Valance, Three-dimensional analysis of the collision process of a bead on a granular packing. Physical Review E , 79(021305):1-9, 2009 7. C. Thornton, W. Randall, Applications of theoretical contact mechanics to solid particle system simulation. In M. Satake, J. T. Jenkins (Eds.), Micromechanics of granular materials, pp. 133142, 1988 8. C. Thornton, & K. K. Yin, Impact of elastic spheres with and without adhesion, Powder Technology, 65(13), 113123, 1991
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FAST AND STABLE SIMULATION OF GRANULAR MATTER AND MACHINES

Claude Lacoursire1, Martin Servin1, and Anders Backman2
1. Ume University. 2. Algoryx Simulation.
Fast and stable simulation of granular matter and machines is achieved through a unified model for particles, fluids and rigid bodies based on constraint multibody systems and using dynamic resolution.
INTRODUCTION We present mathematical models and numerical techniques designed to address the challenges of real-time simulator training for earth moving equipment involving heavy vehicles and granular matter. The same techniques have also been applied to mix granular matter with a nearly incompressible SPH model of water. The central elements in our technique are a unified model based on constrained multibody systems including point particles and rigid bodies, a dynamic resolution technique based on merging and splitting elementary bodies. The numerical integration is based on a time-discrete variational formulation of analytic mechanics, which is closely related to the Rattle and Shake [3] solvers. We have modified these by introducing stabilized linear approximations to avoid solving the nonlinear equations exactly [5]. Frictional contact forces are modeled using a linear complementarity (LCP) formulations similar to those already well-known in this field [8]. Our deviation from these models is mainly in the solution technique, which mixes a direct LCP solver for computing normal forces and a Gauss-Seidel (GS) process to solve for the frictional ones. The SPH model includes kinematic
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constraints for incompressibility and for the boundary conditions. The latter are formulated as non-penetration conditions producing also buoyancy for immersed bodies. Another novelty of our overall method is the introduction of dynamic resolution using a merge-split technique based on local analysis of contact forces and complementarity conditions. A significant result is the real-time simulation of a tractor, which can shovel granular matter consisting of moderately small elements integrated in an interactive 3D application used for operator training. The conventional computational techniques for granular materials are based either on modeling the system as distinct particles [7] or using continuum mechanics with specific constitutive laws for granular matter and discretization using finite elements or mesh-free methods. In turn, the discrete element techniques are phrased either as penalty methods, e.g., the Hertz contact model, requiring very small time steps. Complementarity formulations of contact models solved using Gauss-Seidel iterations [9] can use larger time steps, but have slow, linear convergence. By contrast, interactive applications put strong constraints on speed and time steps. There are usually roughly 10 milliseconds to compute a 1/60 second update. With this budget, there is usually only time for a single step with size h = 1/60 s. In turn the stable simulation of machines demands precise solutions to maintain stability. One additional reason for the choice of our integration method is that it is solidly anchored in discrete time mechanics and is in fact much more stable than higher order explicit methods. It is also necessary to explicitly compute the Lagrange multipliers with good precision, using a direct method for the most part, or with a good preconditioner. Our experience has shown that neither explicit penalty methods nor GS based solver can be tuned to provide sufficient stability. THEORY AND METHODS Our starting point is the descriptor form of multibody dynamics. We write M for the system mass matrix, G for the constraint Jacobians, x for the generalized position variables v for the velocities, and for the Lagrange multipliers. The constraint indicators are g(x) and these can be either equality or inequality conditions.
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After discretization and linearization, our time stepping method requires the solution of the following Mixed Linear Complementarity Problem (MLCP)
Hz + b = w+ 0 0 z l w+ w w z
w 0 , 0
with H =
M G
GT
and z =
(1)
Vectors l and u are lower and upper bounds, and vector b contains stabilization terms to avoid numerical drift away from the in constraint surface. The slack variables w+, w- are discarded once the solution is computed. The inequalities and orthogonality should be understood component wise. is a non-negative diagonal matrix which protects against constraint degeneracy and introduces a small amount of elasticity. We typically use perturbations which are eight orders of magnitudes less than the masses. Details of this model are presented elsewhere, along with a description of our direct solver which is based on a non-smooth Newton method [5,4]. It is still impractical to solve system (1) directly for very large matrices. Reasonable approximations of Coulomb frictional forces also prove impractical to solve directly and therefore, we have resolved to a split iterative method in which normal forces are computed directly and frictional ones are processed using a GS process. For SPH fluids, we have used both GS and preconditioned Conjugate Gradient solvers with success [1] to produce very near incompressibility as well as mixed simulation involving boundary conditions and buoyancy. The H matrix for coupled system has the form of nested dissection shown in Fig. 1 where the blocks, from left to right, fluid, rocks and vehicle each have the matrix form shown in Eqn. (1). For the latter, examples of the sparsity pattern of the H matrix are shown in Fig. 1 for each of the subsystems (20.000 fluid particles, 30 rocks and 12 machine parts). The contact blocks involve pairwise constraints couplings between elements of the subsystems and consist of relatively few equations. The fluid matrix in Fig. 1 scales linearly with the number of particles. This is because each particle brings in a fixed number of element per row, around 25 for the SPH kernel we use. For the rigid rock model, each body brings a number of contacts (at worst 20) related to the shape of the geometry. A good di-
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rect solver such as SuperLU [6] scales linearly for such problems. Note that both the rock pile and the loader are overdetermined.
Fig 1. Schematic illustration of the system matrix H and its sparsity patterns. The dynamic resolution algorithm is illustrated in Fig. 2. Contacting bodies are merged into rigid super-bodies, the filled geometries, if the relative velocity at the contacts are below a given threshold and contact forces are all sufficiently positive. A merge event is marked in the figure with a dashed line. Conversely, any geometry exposed to an impacting, sliding or separating contact is split from the super-body it belongs to. Split and merge events are propagated using GS iterations ordered as a breadth first traversal starting at the transition points. Splits and merge operations are recursive so that meta bodies can be agglomerated and split. Elementary bodies are atomic and cannot be fractured. The merge-split operations preserve the important invariants, namely, total mass, inertia, momentum, angular momentum. The energy is preserved up to the accuracy implicitly set by the thresholds.
Fig 2. Illustration of the dynamic resolution technique. THEORY AND METHODS Still frames from our earth moving training simulator are shown in Fig. 3. On a laptop with 64 bit 3.03 GHz processor and 4 Gb RAM a single simulation with a pile of 500 rocks and a tractor made of 12 bodies and 15 joints, the computational
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time was between 2-3.5 s per 1 s of simulation time in single thread mode. The variation depends on the amount of interaction between the vehicle and the pile. The time step is 1/60 0.017 s, and the rocks are represented as composite spheres with mean size of 0.6 m, and realistic mass density. The numerical solver takes roughly 75% of the time and collision detection dominates the remaining time. Using dynamic resolution, the computational time per simulated second is reduced to 0.1 s when the pile is at rest, 0.8 when running the load bucket into the pile and interacting with 150 bodies and 1.6, or when driving over the rocks with the vehicle. For these examples, the split-merge procedures take up to 5% of the computational time while it improves the speed by 100-2000%, depending on the amount of interaction.
Fig 3. Image from prototype system, final wheel loader simulator and samples from simulation involving a mix of rigid particles and SPH fluid. The implementation has room for further optimization and acceleration. It is possible for instance to use graphical processing units (GPGPU) to perform some of the iterative computations, part of work in progress. A detailed analysis of GPGPU for these systems and different combinations of direct and iterative solvers will be presented elsewhere. A two-dimensional example of coupling between our SPH based nearly incompressible fluid and immersed pebbles is shown in Fig. 3. For a 3D configuration, not shown here, our GS based implementation on the laptop described above can handle 1000 particles in real-time [1]. Preliminary results show roughly a factor 100 speedup when applying a parallel conjugate gradient solver on GPGPU, i.e., 100.000 particles in realtime. The particular 2D example in Fig. 3 has 222 rigid particles, 861 non penetration contacts and 1235 fluid elements was run with time step 10 ms and with computational time 100 ms per time step, still on the same laptop. With iterative solvers and parallelization on streaming processors the computational speeds for constraint based
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methods are steadily improving. For instance, Tasora and Negrut [9] report 1000 bodies at 0.43 s per 0.01 s time step in the serial version and a speed-up by a factor seven to 0.06 s per time step when running on GPGPU. ACKNOWLEDGMENTS This research was supported by HPC2N, SSF grant A3 02:128, UMIT Lab and ProcessIT. Contributions were also made by N. Melin at Algoryx and K. Bodin. REFERENCES 1. K. Bodin, C. Lacoursire, and M. Servin, Constraint uids, submitted to IEEE Transactions of Visualization and Computer Graphics, (2010). 2. R. W. Cottle, J.-S. Pang, and R. E. Stone, The Linear Complementarity Problem, Computer Science and Scientic Computing, Ac. Press, New York, 1992. 3. E. Hairer, C. Lubich, and G. Wanner, Geometric Numerical Integration, vol. 31 of Spring Series in Computational Mathematics, Springer-Verlag, 2001. 4. C. Lacoursire, Ghosts and Machines: Regularized Variational Methods for Interactive Simulations of Multibodies with Dry Frictional Contacts, PhD thesis, Dep. of Computing Science, Ume University, Sweden, June 2007. 5. C. Lacoursire, Regularized, stabilized, variational methods for multibodies, in The 48th Scandinavian Conference on Simulation and Modeling, P. Bunus and C. Fhrer, eds., Linkping University Electronic Press, 2007, pp. 4048. 6. X. S. Li, An overview of superlu: Algorithms, implementation, and user interface, ACM Trans. Math. Softw., 31 (2005), pp. 302325. 7. T. Pschel and T. Schwager, Computational Granular Dynamics, Models and Algorithms, Springer-Verlag, 2005. 8. A. Tasora and M. Anitescu, A convex complementarity approach for simulating large granular ows, Journal of Comp. and Nonlinear Dynamics, (2010). 9. A. Tasora and D. Negrut, Parallel algorithm for solving complex multibody problems with streaming processors, Int. J. Comp. Vis. and Biomech., (2009).
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Evolution of Structure in Granular Materials

John F. Peters, David A. Horner, Laura E. Walizer, Raju Kala
US Army Engineer Research and Development Center, Vicksburg, MS
The discrete element method provides a valuable research tool for understanding the evolving internal state of granular media as it is described by phenomenological models. By comparing individual particle motions to those projected from continuous afne motion a diffusive law emerges, providing a means to relate macro-scale continuum motion to micro-scale motion and allowing constitutive equations to be build up from micromechanical laws. The laws thus described are those for a local continuum assumption although it is noted that the scheme can be extended to existing non-local formalism. Recent results from DEM simulations suggest that signicant non-afne, but non-diffusive motions can also arise, possibly as precursors to localization.
Introduction
Since its introduction by Cundal and Strack [1], the discrete element method has evolved as a tool for fundamental investigations in granular mechanics by providing information on particle motion and contact forces at a level of detail not possible in physical tests. This same period has seen a concomitant rise in micromechanical studies of granular media, DEM being the principal tool of investigation. In
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micromechanical models, the onerous computations required by a particle computation are replaced by a continuum idealization built around constitutive equations that are created from an understanding of the micromechanics. A difculty in any attempt to devise a constitutive equation based solely on micromechanical principles is relating the evolution of the internal state with the continuum deformation (e.g. [8]). In an investigation from nearly a decade ago Horner [3] found an evolution law based on modeling the change is of contact statistics with a diffusion law. The approach showed promise for developing micromechanical constitutive laws but at the time was preliminary and therefore not published in the open literature. This paper presents Horners approach along with recent DEM simulations that illustrate some non-diffusive motions that can be captured by the DEM.
Analysis
The analysis begins with the denition of average stress ij within a representative volume V at a point x V ij (x) = 1 V
V
ij (x x )dV .
(1)
For a granular media, the integration is taken over the solid particles. The average stress within each particle is given by p ij 1 = Vp
Np
fic xc , j
cp
(2)
where the superscript p is the particle number, Vp particle volume, and Np the number of contacts for the particle. The average stress within the representative volume therefore can be computed as a volume weighted average of the particle stresses, which implies a double summation. The averaging can be reduced to a single summation be simply expanding the sums and pairing the terms associated with each common contact. The result is 1 ij = V
Nc c fic Xj . c
(3)
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c The sum is now taken over all of the contacts in the volume, Nc . The vector Xj connects centers of particles sharing the contact. Note that although the averaging process removes all spatial content from the data, the summation still references specic contacts. To create a completely statistical interpretation the contacts are grouped into bins consisting of sectors having equal angles, (in two dimensions). b Within each bin there are pb ()Nc contacts directed in the average direction X i () b subjected to an average contact force f i (). Dening Nc as the number of contacts per volume, the average stress becomes
ij = N c
b
pb f i X j .
(4)
Inasmuch as the size of the bins can be made arbitraily small, the statistical description is identical to the direct summation. However, to the extent that the statistical parameters vary with the continuum deformation in a regular manner, their evolution can be described through phenomenological relationships that are tied to micromechanical measurements. To this end we note that the rate of change of average stress is given by ij = N c
b
pb f i X j + N c
b
pb f i X j + N c
b b
pb f i X j .
b
(5)
Therefore the evolution laws of interest are for N c , pb , and f i . A common procedure is to connect the continuum motion to that of the particle centers through an afne mapping given, in the case of small strain and in c the absence of rotation by vi = xc ij . The particle centers do not, in fact, folj low an afne mapping, as Horner found when observing how pb should vary if particle motions were afne. The comparisons of contact directions expected from afne motion and those actually observed indicated that particle centers follow paths that have strong random components. The contact forces likewise show the effects of random motion of the contacts leading Horner to speculate that an evolution equation for the contacts might follow the form of an advection-diffusion equation, whereby the advection modeled the change in contact force driven by the afne motion and the non-afne component followed a diffusion law f b b f i = f i |ane + D 2i
2 b
(6)
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The constitutive equations that follow from combining Equation (4) with (6) t the averaged particle data well [3], although it should be noted that the constitutive equations do adhere to the local continuum assumption. It is now commonly accepted that constitutive equations for granular media should have a non-local character to avoid numerical pathologies in solutions [6] and to better capture size effects. The diffusive nature of particle motions is well documented (e.g. [2]) along with theoretical treatments of its dissipative nature (e.g. [5], [7]). These works clearly point to spatial diffusion leading to non-local laws in which boundary conditions must be prescribed for the diffusive variables. However, not all non-afne motions need to be diffusive; for as shown by Valanis [7], patterned deformations can arise from instabilities in the sub-scale constitutive behavior. An example of such behavior can be observed in simulations of biaxial tests by subtracting the averaged afne motion from the individual particle motions, leaving a residual non-afne motion (e.g. [4]). Examples of three cases of boundary conditions are shown in Figure 1. Smooth platens, whereby the particle-platen contact friction is zero, creates complex rotational elds. In the case of friction on all platens, a symmetric pattern of four rotation zones emerge. By making a single platen frictional, rotational patterns with mirror symmetry emerge. For the two cases with platen friction, the symmetric rotational patterns gave way to localized shear banding. A number of constitutive theories have been developed to explain the complex behavior of granular materials. Because these theories involve internal variables, not measured in continuum experiments, it is difcult to build an empirical foundation for their application. Virtual experiments using the discrete element method allows the observation of motion and forces needed to create that foundation.
Acknowledgements
Funding for this research was provided by Military Engineering Basic Research Project Fundamental Investigation on Bridging Between Microscale Phenomena and Macroscale Performance. Any use of trade names is for descriptive purposes only and does not imply endorsement by the U.S. Government. Permission to publish was granted by Director, Geotechnical and Structures Laboratory, US Army
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Figure 1: Simulations of biaxial test with various platen friction congurations. Platens motions were specied such that constant volume was maintained. Arrow directions indicate particle motions after removing ane motion imposed by platens; color indicates degree of particle rotations. Symmetric localized shear banding eventually emerged in the two cases with platen friction.
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Engineer Research and Development Center. Approved for public release; distribution is unlimited.
References
[1] Cundall, P. A. and Strack, O.D.L. (1979) A Discrete Numerical Model for Granular Assemblies, G otechnique, Vol. 29, No. 1, pp. 4864. e [2] Bridgewater. J. (1993), Mixing and Segregation Mechanisms in particle Flow, in Granular Matter, SpringerVerlag, Anita Mehta, Editor, pp. 161 193. [3] Horner, D. A. (2000) Application of DEM to Micro-Mechanical Theory for large Deformations of Granular Media, PhD dissertation, University of Michigan at Ann Arbor (see also ERDC technical report ERDC/GL TR-007). [4] Kuhn, M. (1999) Structured Deformation in Granular Materials, Mechanics of Materials, Vol. 31, pp 407429. [5] Valanis, K. C., Peters, J. F. and Gill, J. (1993). Congurational Entropy, Non-Associativity and Uniqueness in Granular Media, Acta Mechanica, Vol 100, pp. 79-93. [6] Valanis, K. C. and Peters, J. F. (1996). Ill-Posedness of the Initial and Boundary Value Problems in Non-Associative Plasticity, Acta Mechanica, Vol. 114, pp. 1-25. [7] Valanis, K. C. (1998) A Gradient Thermodynamic Theory of SelfOrganization, Acta Mechanica, Vol. 127, pp. 1-23. [8] Walsh, S., Tordesillas, A., and Peters, J. F. (2007) Development of Micromechanical Models for Granular Media: The Projection Problem, Granular Matter, Vol. 9, pp 337352.
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DEM SIMULATION OF BALL INDENTATION ON COHESIVE POWDERS

Massih Pasha, Ali Hassanpour, Mojtaba Ghadiri
Institute of Particle Science and Engineering, SPEME, University of Leeds, Leeds LS2 9JT, UK
An approach based on indentation, which can be carried out on very small quantities, is considered for assessing the flowability of cohesive powders. In this method the yield stress of weak powder compacts is estimated by indentation hardness measurements. To be able to measure the plastic yield stress by this method, the ratio between the flow stress, inferred by indentation (i.e. hardness) and the yield stress needs to be established. In the present work an attempt is made to simulate the indentation process and uniaxial compression test using Distinct Element Method (DEM) to investigate the correlation between indentation characteristics and powder flowability.
INTRODUCTION Industrial processes involving powder blending, transfer, storage, feeding, compaction and fluidisation all require reliable powder flow [1]. There are a number of cases which involve dealing with small amounts of loosely compacted powders. These include filling and dosing of small quantities of powders in capsules and dispersion for dry powder inhalers and dry particle sizing. In other cases, the availability of powders is an issue. For instance in nuclear and pharmaceutical industries, the amount of testing powder is limited due to ionising radiation for the former and toxicity and cost of drugs for the latter [2].
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There exist a number of test methods for evaluation of flow behaviour of powders such as uniaxial compression test, shear test, raining bed and the Sevilla powder tester [3]. Most of these test methods require a relatively large amount of powder and measuring the flow behaviour at relatively high compaction stresses. Hassanpour and Ghadiri [2] introduced a testing method by ball indentation which can be performed on small amounts of loosely compacted powders. In the present paper an attempt is made to evaluate the flowability measurement of cohesive powders using ball indentation method. The indentation process and unconfined compression test are simulated using the Distinct Element Method (DEM) for particles consolidated to different levels. The correlation between indentation characteristics and flow behaviour of powders (unconfined yield stress) are investigated by comparing indentation results with those of unconfined compression.
INDENTATION PROCEDURE In the indentation process, different samples of powders are consolidated into a cylindrical die to the pressure in the range that forms weak tablets. The die must be made of low friction materials in order to reduce the effects of wall friction. The weakly formed tablets are then indented using a spherical indenter and the depth/load cycle is recorded from which the hardness of the bulk powder can be calculated. During loading, the load is increased at a specified rate until a desired maximum load is reached. Then the load is decreased to zero at the same rate. During unloading, the elastic deformation of the sample will recover. Hardness is given as the ratio of maximum indentation load to projected area of the impression (Equation 1).
H Fmax A
(1)
The projected area can be calculated as follow,

A dh h2
(2)
where d is the diameter of the indent, and h is the depth of impression [2].
295
In indentation test, during formation of the local plasticity zones around the indenter, the volume of the powder bed present in a yield condition is surrounded by an elastically deformable region. This leads to an increase in the local yield strength (i.e. hardness) [5]. A linear relationship is usually considered:
H CY
(3)
where H is the hardness, Y is the yield stress and the proportionality factor C is known as constraint factor. It is important to relate hardness to yield stress, since the flow behaviour is defined based on the yield strength. Wang et al. [4] has concluded that indentation hardness and unconfined yield stress have a linear relationship with pre-consolidation pressure for a number of materials. This corroborates the linear relationship between yield stress and hardness. The constraint factor for a number of testing powders was also determined, and it was concluded that it is independent of the pre-consolidation pressure but is material dependant. For particle assemblies, the constraint factor would depend on single particle properties which need to be analysed by the Distinct Element Method (DEM) simulations [4]. DEM SIMULATION OF INDENTATION PROCESS The EDEM code from DEM Solutions, using the Hertz-Mindlin contact model, is used for simulations of the indentation process. A linear cohesion model is used to model cohesion force between particles which is calculated as follow:
F kA
(4)
where A is the contact area and k is a cohesion energy density with units Jm-3. The material properties used in the simulations are summarised in Table 1.
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Property Diameter (mm) Density (kg.m-3) Poissons Ratio Youngs Modulus (GPa) Interface Energy (J.m-2)
Particles 1 2500 0.25 75 3.46
Die (Geometry) 45 7800 0.3 182 -
Table 1. Material properties used in DEM simulations 70,000 particles with normal size distribution (standard deviation = 0.1384) are generated inside the cylindrical die. This has provided a bed height of 45 mm. The powder bed is then consolidated to different pressure levels. The consolidated bed is indented using a spherical indenter with a diameter of 15mm. Figure 2 shows the simulated hardness values for a range of indentation load (Fmax).
16 14
12
Hardness (kPa)
10
8 6
4
2 0
0.6
0.8
1 1.2 Indentation Load (N)
1.4
1.6
Fig 1. The relationship between hardness and maximum indentation load for 5kPa pre-consolidation It can be seen that hardness does not change significantly with indentation load. This shows that the powder bed is not consolidated during indentation process. If the bed is consolidated, the hardness value will be different and it will not be representative of the pre-consolidation of interest. The correlation between hardness and pre-consolidation stress is illustrated in Figures 2.
297
15 14
Hardness (kPa)
13 12
11
10 3 4 5 6 7 8 9 Pre-consolidation Pressure (kPa) 10 11
Fig 2. The relationship between hardness and pre-consolidation pressure for indentation load of 0.8 N It can be seen that hardness increases linearly with pre-consolidation pressure. The uniaxial compression test is also simulated using the same cylindrical die and material properties. The unconfined yield stress results as a function of preconsolidation are shown in Figure 3.
1.37
Unconfined Yield Stress (kPa)
1.36 1.35
1.34 1.33 1.32 1.31 1.3
1.29 1.28
1.27 3 4 5 6 7 8 Pre-consolidation (kPa) 9 10 11
Fig 3. The relationship between unconfined yield stress and pre-consolidation pressure
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It can be seen that there is a linear correlation between unconfined yield stress and pre-consolidation, similar to the case of indentation. CONCLUSION DEM simulations of ball indentation for a range of indentation loads and preconsolidation pressures showed that hardness is independent of the indentation load but linearly increases with pre-consolidation pressure. Uniaxial compression test was also simulated for a range of pre-consolidation pressures. The results showed that unconfined yield stress also increases linearly with pre-consolidation pressure. It can be concluded that there is a correlation between hardness and unconfined yield stress. ACKNOWLEDGMENTS This work described here has been financially supported by the Engineering and Physical Sciences Research Council (EPSRC). REFERENCES 1. Prescott J.K., and R.A. Barnum. Pharmaceutical Technology, 2000. 24(10): p. 60. 2. Hassanpour A., and M. Ghadiri, Particle & Particle Systems Characterization, 2007. 24(2): p. 117. 3. Castellanos A., J.M. Valverde, M.A.S. Quintanilla, Kona, 2004, 22: p. 66. 4. Wang C., A. Hassanpour, and M. Ghadiri, Particuology, 2008. 6(4): p. 282. 5. Kozlov G.V., V.D. Serdyuk, and V.A. Beloshenko, Mechanics of Composite Materials, 1995. 30(5): p. 506.
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STATISTICS OF INTERNAL STRUCTURE OF A GRANULAR PILE GENERATED BY THE PARTICLE EXPANSION METHOD
Chi-Yan Lo1, Malcolm Bolton1, Yi-Pik Cheng2
1 2
Department of Engineering, University of Cambridge, UK
Department of Civil and Environmental Engineering, University College London, UK
We present a systematic investigation of the influence of a common sample preparation method (Particle Expansion Method) has on the mechanical and structural properties of granular packings. The method produces distinctively different attributes from natural sedimentary samples, in terms of both the contact force distributions at small forces and the geometric internal ordering. The artificial fabric induced by this technique may pose serious implications in the accurate modelling of granular matter which are often overlooked by DEM users.
INTRODUCTION Unlike ordinary solids and liquids, contact forces inside a static granular packing are organised into highly inhomogeneous force chains with stresses localised along the force network. Their statistics and distribution are particularly important as it determines the internal structure and bulk properties of the material. Previous studies based on experiments, molecular dynamics, Monte Carlo simulations and thermodynamics analogies [1-2] have revealed a common form of bimodal character of the internal contact network: for normal forces Fn greater than the mean value <Fn> of the system the spatial force distribution P(Fn) decays exponentially while at weak force networks (Fn << <Fn>) a power law function is portrayed.
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This paper is concerned with the investigation of the influence of sample preparation method on the internal fabric of the numerical packing. A common preparation strategy in DEM, known as the particle expansion method [3], is tested to justify its suitability for realistic sample generation. The force distribution and contact anisotropy of the resulting sample are studied and compared with the theoretical statistical model. We also examine the dependency of contact network on the system size. DEM SIMULATIONS We perform 3D DEM simulations of the problem using the software PFC3D. The software uses explicit time-stepping scheme in which contacts between particles are soft and Hookean and a Coulomb frictional sliding model applies at tangential directions. For quasi-static simulations, a local mechanical damping function is used to eliminate possible accelerative motion. A more comprehensive description of the code can be found at [3].
r
Normal and shear stiffness of particles Normal and shear stiffness of column 4 106 N/m 4 109 N/m 1.0 mm 0.577, 0.0 0.4
a = h/r
Radius of particles Friction coefficient, p (particles) and w (walls) Porosity
Fig 1. Geometry.
Table 1. Modelling parameters.
To prepare the sample using the particle expansion method, a population of particles with initially reduced radii is randomly created in a cylinder. Particles are
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then gradually expanded to their final radii value until a target porosity is reached within the sample. Substantial cycling follows to dissipate locked-in stresses until an equilibrium packing is achieved. Compared to other preparation methods, the particle expansion method enables modellers to prepare their DEM samples within reasonable computational times, but its representation is susceptible as the packing methodology is fundamental different from naturally sedimentary granular materials found in nature. Cylindrical samples of varying aspect ratio a (ranging from 3 to 9) are generated as in Fig 1, with the micromechanical parameters listed in Table 1. Particles are packed in the cylindrical tube which rests on a horizontal ground. With r set at 10 mm, samples of different a are created by varying h. The black lines in Fig 1 indicate the normal contact force chains in a sample. Note that in all our simulations gravity is activated such that vertical stresses increase with depth. This is evident in Fig 1 in which the contact force chains get more heavily loaded at deeper sections. FORCE DISTRIBUTION
Fig 2. PDF of normalised normal forces.
Fig 3. PDF of normalised tangential forces.
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Fig 2 and 3 show the semilogarithmic plots of the probability distribution function (PDF) of normalised normal and shear contact forces in the packings. We find that the contact forces exhibit an exponential decay at large forces, irrespective of the aspect ratio. This is consistent with the findings in [1-2, 4], but a power law relationship is absent for contact forces of magnitude below the mean in our case. In fact the exponential function seems to be applicable to the small force region and a unimodal distribution character is portrayed for samples created by the particle expansion method.
Fig 4. PDF of stress ratios.
Fig 5. Side and elevation views of spatial distributions of contact centres with ~ 0 (top) and ~0.577 (bottom) in the column.
A closer examination to the probability distribution P(), where = Fs/Fn, reveals the heterogeneity of the stress ratio at the contacts in the sample. Fig 4 shows the histogram of and their distribution collapses into a single curve irrespective of the sample size. The two extremes ~ 0 and 0.577 evolve from the boundary effects and the frictional characteristics of the system respectively. This can be proved by plotting the spatial distribution of the contact points correspond-
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ing to ~ 0 and 0.577 in the column. As shown in Fig 5, the contacts with nearly zero are mostly located along the cylindrical wall surface. This is because the wall is frictionless and the contact forces are principally perpendicular to the cylinder surface. On the other hand, mobilised contacts (i.e. those with at the Coulomb failure threshold) occur in relatively unloaded regions and are sparsely distributed. This is in agreement with the usual findings that sliding tended to occur at contacts that carried small forces [5]. For intermediate values of [0.05, 0.55], the probability distribution P() is a non-uniform function and varies from 2% to 8%. This is likely to be attributed to the preparation method and history of the sample. For a naturally pulviated sample, Radjai and co-workers [1] discovered that P() displays a uniform distribution for all except at the extremes. This may imply that samples created from the particle expansion method are geometrically different and possess an internal structure dissimilar to natural earth materials. CONTACT ORIENTATION
Fig 6. PDF for the contact normal orientation from the vertical. The contact angles and are defined in the inset.
Fig 7. Rose diagram for the projected contact normals orientation from the positive x-axis.
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The internal fabric of the samples can be probed by looking at the probability distributions of the contact orientations. Fig 6 and 7 display the statistics of the angles between the contact normals and vertical () as well as the angles between the projected contact normals on the x-y plane and the positive x-axis (). Clearly the granular structure is highly anisotropic, with P() peaks at 60 (Hexagonal close-packed orientation for a monodisperse sample) and 90 (mostly from particle-wall contacts which are principally horizontal). Also as shown in the rose diagram for P(), the particle expansion method induces no bias in the distributions of . This is close to the findings from a pulviated DEM sample reported in [4]. CONCLUSION This paper examines the statistical micro-structure of monodisperse samples prepared by the particle expansion method. Despite being a computationally efficient algorithm for sample generation, we show that samples prepared in this way possess distinctive granular structure from sedimentary specimens: 1) absence of power law distributions for contact forces below average; 2) non-uniformity in contact stress ratios . DEM users must therefore consider seriously the likely effects from sample preparation techniques to fit their simulation purposes and objectives. REFERENCES 1. F. Radjai, M. Jean, J-J. Moreau, S. Roux, Force distribution in dense twodimensional granular systems, Phys. Rev Lett., 77, No.2, 274-77, 1996. 2. D. M. Mueth, H. M. Jaeger, Force distribution in a granular medium, Physical Review E, 57, No.3, 3164-69, 1998. 3. PFC3D Version 3.1 User Manual, Itasca Consulting Group, 2005. 4. G. Marketos, M. D. Bolton, Quantifying the extent of crushing in granular materials: A probability-based predictive method, J. Mech. Phys. Solids, 55, No.10, 2142-56, 2007. 5. C. Thornton, S. J. Antony, Quasi-static deformation of particulate media, Phil. Trans. R. Soc. Lond. A, 356, No. 1747, 2763-2782, 1998.
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SIMULATING GRANULAR MATERIAL BEEHAIVOUR TO GENERAL LOADING PATHS WITH DEM

Xia Li, Hai-Sui Yu
Nottingham Centre for Geomechanics, University of Nottingham
A numerical technique is developed to simulate the elementary stressstrain behavior of granular material to general loading paths under quasi-static conditions. The technique has three features: (1) the representative element has a polyhedral (polygonal) shape to minimize boundary arching effect; (2) the finite strain definition is adopted for accurate boundary control; (3) the stress controlled loading, the strain controlled loading and the mixed loading can be easily implemented.
INTRODUCTION Multi-scale investigation on the stress and strain relations of granular materials is an important application of discrete element method in soil mechanics (Cundall and Strack, 1979). As the current research interest has been shifted to general loading paths (Ishihara and Towhata, 1983). A numerical technique of simulating the elementary behavior of granular materials to general loading paths is needed. STRESS AND STRAIN FOR GRANULAR MATERIALS To serve the purpose of multi-scale investigation, expressions of the macroscale stress and strain tensors in terms of the micro-scale forces and displacements are derived (Li et al., 2009). On the micro-scale, the boundary tractions are esti-
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mated from the boundary forces exerted at discrete boundary points, i.e., xi p j dS = xi Fj , Hence, the stress tensor could be expressed as:
S
ij = xi Fj + X iP G P . j
PV
1 V S
(1)
in which Fi is the boundary force exerted at discrete boundary points with the coordinates of xi ; GiP is the volumetric force of granular particle P acting at the center of gravity X iP . This expression is used to calculate the stress tensor from the boundary forces. To give complete information on specimen deformation and for precise boundary control over a large range of strain levels, finite strain definition is adopted for the simulations, rather than infinitesimal strain definition. The Biot strain tensor is used to characterize the specimen strain state for its simplicity. The Biot strain is given in the indicial notation as:
IJ = IJ U IJ = IJ RkJ 1FkI = IJ Jk FkI .

JK
V
(2)
For two dimensional spaces, the expression of strain tensor could be written as:
IJ =
LB
u I
(3)
0 1 in which IJ = is the 2D permutation tensor, X K stands for the centre of 1 0 the boundary segment and uI represents the relative displacement between the two vertices of the boundary segment.
APPLYING GENERAL LOADING PATHS The geometry of each boundary wall is described by its center coordinates x O and its normal direction n O . Stain boundary condition is controlled by specifying translational and rotational velocities of boundary walls in each loading step. The
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movements of the boundary walls are controlled synchronously. To achieve a strain increment IJ , we have:
xi = FiJ X J = iK ( JK JK ) X J
(4)
Fixing the origin O of the specimen, to apply a strain increment IJ within a time interval t , the velocity assigned to the wall centre should be:
viw = xiw / t = iK JK X Jw / t
(5)
in which X Iw is the coordinate of wall center in the undeformed configuration. And the rotational velocity of the wall segment w should be:
iK JK N Jw 1 t iK ( JK JK ) N Jw
w i
(6)
where N Iw represents the wall normal direction in the undeformed configuration. The stress-boundary is applied using a servo-controlling mechanism. By analogy with an isotropic elastic constitutive relationship, a strain increment can be determined according to:
( ) I
1 + ( )i ii E E
( ) I = ( ) I
(7)
where E and are Youngs modulus and Poissons ratio. In the new calculation t cycle, the stress increment ij = ij ij is updated, and a new strain increment is applied according to the above procedure. By repeating doing so, the specimen stress state gradually approaches the target stress state. TYPICAL NUMERICAL SIMULATION RESULTS Numerical simulations have been carried out in analogy to the conventional testing procedure in soil laboratory. Typical simulation results are presented in this section. The specimen preparation is shown in Fig. 1.
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(a) Boundary walls (b) Disk generation (c) Clump generation(d) Prepared sample Fig. 1 Specimen preparation The numerical simulation result of biaxial shearing is given in Fig. 2. The observed material behavior is in good qualitative agreement with laboratory results on Toyota sand (Verdugo and Ishihara, 1996).
1200
1200 1050 e0=0.240 e0=0.226 e0=0.182
Deviatoric Stress, q (kPa)
1000 800 600 400 200
Deviatoric Stress, q (kPa)
900 750 600 450 300 150 0
e0=0.240 e0=0.226 e0=0.182
0 0.0 2.5 5.0 7.5 10.0 12.5 15.0 17.5 20.0 22.5 25.0
0.16
0.18
0.20
0.22
0.24
Deviatoric Strain, q (%)
Void Ratio, e
Fig 2. Numerical simulation result of biaxial shearing For rotational shearing, the mean normal stress p and the deviatoric stress ratio are constant, while the principal stress direction n keeps changing. The simulation results of a dense specimen sheared in vertical direction up to = 0.7 , and then subjected to stress rotation are presented here. The stress path is plotted in Fig. 3. And the observed material behavior is shown in Fig. 3. Significant volume contraction due to stress rotation has been observed as reported in literature
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(Yang et al., 2007). It is also interesting to observe that as stress rotation continues, the strain trajectory in the deviatoric plane approaches a circle.
(a) Variation of stress component;
(b) Stress trajectory.
Fig. 3. Stress components in stress rotation.
(a) Strain trajectory;
(b) Variation of strain component.
Fig. 4. Strain components in stress rotation.
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CONCLUSION
This paper presents a numerical technique to carry out simulations of the elementary behavior of granular materials using discrete element method. The developed numerical technique is suitable to apply general loading path so as to investigate the general constitutive relationship at multi-scales. Here, we use polyhedral/polygonal specimens to minimize the influence of boundary arching effect. The finite strain definition is adopted for accurate boundary control. A servomechanism of stress boundary condition is developed and could be easily combined with strain boundary condition to apply mixed loading conditions. The qualitative agreement between the numerical simulation results and the laboratory observations validate the developed numerical technique as useful tools to carry out numerical simulations with DEM for exploring the fundamental particle-scale mechanism and for the development of the constitutive relations of granular materials.
ACKNOWLEDGMENTS
The financial support from the UKs Engineering and Physical Science Research Council (EPSRC) and the University of Nottingham is gratefully acknowledged.
REFERENCES
CUNDALL, P. A. & STRACK, O. D. L. A discrete numerical model for granular assemblies. Geotechnique, 29, 47-65, 1979. ISHIHARA, K. & TOWHATA, I. Sand response to cyclic rotation of principal stress directions as induced by wave load. Soils and Foundations, 23, 1126, 1983. LI, X., YU, H. S. & LI, X. S. Macro-micro relations in granular mechanics. International Journal of Solids and Structures, 46, 4331-4341, 2009. VERDUGO, R. & ISHIHARA, K. The steady state of sandy soils. Soils and Foundations, 36, 81-91, 1996. YANG, Z. X., LI, X. S. & YANG, J. Undrained anisotropy and rotational shear in granular soil. Geotechnique, 57, 371-384, 2007.
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ENHANCED VIBRATIONAL GRANULAR MIXING

J. E. Hilton and P. W. Cleary
CSIRO Mathematics, Informatics and Statistics, Clayton South, Victoria, Australia
The mixing of granular material is an important process in many industrial applications. A container of granular material can be mixed by vibration of the base of the container, while the walls are held fixed. We show that the rate of mixing in this system can be greatly enhanced by the inclusion of a vertical plate, offset from a wall by a distance, d. The inclusion of this offset plate breaks the symmetrical granular convection of the system causing enhanced mixing. We vary this spacing length and show that although the system has a complex dependency on the length of spacing, the mixing rate is always enhanced compared to a system without a vertical offset plate.
INTRODUCTION The mixing of different types of granular material plays an important part in many industrial applications such as chemical engineering, agriculture and pharmaceuticals 1 . Many different means of mixing have been designed and employed for different processes. Here, we investigate the mixing rate of a vibrational mixer consisting of a container of material with a base plate subject to periodic vibration. The behaviour of a granular system subject to a vertical sinusoidal oscillation has been well studied 2,3 . It is known that convection cells form in the granular bed with particles moving down the walls, towards the centre of the bed up through the central axis of the bed, along the upper layer of the bed and down the walls, completing the cycle. This process can be use to mix granular material, where the
312
mixing rate shows a strong dependence on the vibrational frequency 4 . We show a means to greatly enhance the mixing rate is by breaking the symmetry of the system by the inclusion of an offset vertical plate within the mixing container.
Offset Plate
y x z
A0 sin (2ft)
d
Plate Separation
A0 sin (2ft)
Fig 1. Schematic set up of vibrational mixer without offset plate (left) and with offset plate (right). METHODOLOGY We use the Discrete Element Method (DEM) for simulating our system, which is a Lagrangian particle scheme first formulated by Cundall and Strack 5 . The particle-particle contact force is determined by particle overlap information using a soft-sphere linear spring, dashpot and slider approximation. Our system consists of a square container as shown in Fig. 1. The boundaries are frictional side walls in the x directions, an open top in the positive y-direction, a vibrating base in the negative y-direction and periodic boundary conditions on the particles in the z-directions. The distance between the side walls in the xdirection is set to be 5 cm, the width of the container in the z-direction is set to be 2 cm and the container is filled to a height of 5 cm with particles of 2 mm diameter 0.1 mm to prevent crystallization effects. The particles are marked as one of two types split equally in the vertical direction, as shown in Fig. 1 with light coloured particles on the upper half and dark coloured particles on the lower half. The friction between the particles and the container walls is set to = 0.5, the
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normal and tangential coefficients of restitution are set to 0.5 and the spring constant is set to 10,000, sufficient to give a maximum overlap of less than 1% of the particle diameter. The particle density is set as 1000 kg/m3.The base plate is vibrated with a vertical offset of the form A = A0sin(2ft), where the vibration frequency, f, is fixed at 400Hz for all simulations, with an amplitude, A0, of 0.1mm. The distance of the offset plate, d, is varied and the mixing rate measured. The mix state is determined by superimposing a grid over the simulation and ascertaining the mixing fraction M within each grid cell, where M = 0 represents an unmixed state (the cell is only filled with particles of one type) and M = 1 represents a fully mixed state (the cell is filled with an equal distribution of particles of both types). The calculations for the mixing rate are given in Cleary and Sinnott1. RESULTS The motion of the particles in a system with no offset plate is shown in Fig. 2 (left). The upper layer of the bed (light coloured particles) rapidly moves down the walls of the container until it reaches the vibrating plate (at ~ t = 10 s). This vertical layer of particles then begins to curl under the particles initially at the base of the bed (dark coloured particles) causing these particles to form a vertical central column which is pinched off by the light coloured particles (at t ~ 20 s). This motion also causes the central portion of the bed to rise causing a hump at the surface. The dark particles reach the surface of the bed at ~ t = 30 s, whereupon they begin to roll down the hump of the surface (at ~ t = 40 s) and begin to convect down the walls of the container (at ~ t = 50 s). When the dark coloured particles reach the vibrating base of the container they follow the same behaviour as the lighter coloured particles, rolling inwards towards the centre of the bed (at ~ t = 60 s onwards). The stretching and folding of the particle layers is the mechanism by which the mixing of the particles takes place in the system. However, the equal downward convection of particles causes a static region along the central vertical axis of the bed. The lighter coloured particles pinch the darker particles but never meet in the centre; a thin strand of darker material can be seen running along the central vertical axis in the final frame shown at t = 80 s. This suggests that better mixing would be achieved by breaking the symmetry of the system which is achieved by the introduction of a vertical offset plate.
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t = 0s
t = 10s
t = 20s
t = 0s
t = 10s
t = 20s
t = 30s
t = 40s
t = 50s
t = 30s
t = 40s
t = 50s
t = 60s
t = 70s
t = 80s
t = 60s
t = 70s
t = 80s
Fig 2. Particles mixing in a container with no offset plate (left) and with an offset plate at d = 1 cm (right) from time 0 to 80 s. The approximate granular flow is marked with arrows. The motion of the particles with a vertical offset plate included in the system is shown in Fig. 2 (right). The dynamics of the particles when this plate is included is very different to the dynamics with no plate. The upper layer of particles moves rapidly down the side walls and also down each side of the offset plate. However, the particles between the offset plate and the nearest wall (on the left hand side of the assembly) have a greater net downward motion that between the offset plate and the furthest wall (on the right hand side of the assembly). This causes a greater downward convective motion of particles which pushes the lighter coloured particles far underneath the layer of darker coloured particles. Comparison of the systems with and without the offset plate at ~ t = 10 s shows that the darker coloured particles have already reached the surface of the bed by this time when the plate is included. The bed surface also forms a hump, but this is offset to the right hand side for this case. By ~ t = 20 s the darker coloured particles have rolled down the left hand side of the assembly and along the vibrating base, causing a second fold in the granular layers to form. A third fold can just be seen at ~ t = 30 s, but becomes difficult to make out by ~ t = 40 s. This stretching and folding
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of the granular material continues until the system is, to the eye, well mixed from t = 50 s onwards. Comparison of the systems with and without the offset plate clearly shows a great increase in the rate of mixing when the offset plate included. This is due to the broken symmetry giving different convective contributions on the two sides of the system.
100 90 80 70
No Plate 4 mm 6 mm 8 mm 10 mm 12 mm 14 mm 16 mm 18 mm 20 mm
Mixing %
60 50 40 30 20 10 0 0 20 40 60 80 100 120 140
Time (s)
Mixing Constant, 10
3.5 3.0 2.5 2.0 1.5 1.0 0.5 0.0 0 5 10 15 20
Plate Distance from Wall, d (mm)
Fig 3. Mixing percentage for the system against time (top) and parameter from an exponential fit to the mixing data (bottom) for a range of offset plate separations, d. To quantify the rate of mixing the system the mixing percentage (M 100) is plotted against time in Fig. 3 (top) for a range of offset plate separations. The inclusion of a plate always increases the mixing rate, but the increase does not appear to be a simple function of the plate separation. If the mixing fraction, M, is
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assumed to of the form M = (1 e-t) + , the parameters and can be determined from a fit to the data. The parameter gives the rate of mixing but there is no clear trend to the data pattern, as shown in Fig. 3 (bottom). This sensitivity of mixing to a small change in system parameter is a hallmark of chaotically mixed fluid systems. However, using optimal plate positioning an increase in the mixing rate of ~600% can be achieved. CONCLUSION The mixing rate of a vibrational granular mixer can be greatly enhanced by the addition of a vertical plate offset from a container side wall by a offset length d. The mechanism for the mixing is a non-symmetrical stretching and folding of the layers of the granular material due to increased convection on the side of the assembly with the offset vertical plate. Although the mixing rate will also depend on particle size, friction, vibrational amplitude and frequency, this mixing mechanism is not expected to change. The separation of the plate from the side wall does not have a simple relation to the overall mixing rate, although this rate always increases when compared to an assembly without an offset plate. Our results are of interest from both a theoretical aspect, as well as for possible application in industrial granular mixing. REFERENCES
1 2
Cleary, P. W. and Sinnott, M. D. (2008), Particuology, 6, p419
Knight, J. B., Ehrichs, E. E., Kuperman, V. Y., Flint, J. K. , Jaeger, H. M and Nagel, S. R., Phys. Rev. E. (1995), 54, p5726 Zeilstra, C. Collignon, J. G., van der Hoef M. A, Deen, N. G., Kuipers, J. A. M. (2008), Powder Tech., 184, p166 Li-Shin, L. and Shu-San, H. (2007), Powder Tech., 184, p31 Cundall, P. A. and Strack, O. D. L. (1979), Geotechnique, 29, p47
4 5
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DISCRETE ELEMENT MODELLING OF CYLINDRICAL CAVITY EXPANSION OF GRANULAR MATERIALS

Yan Geng, Hai-Sui Yu, Glenn McDowell
The University of Nottingham, Department of Civil Engineering
Cavity expansion in soil or rock is a fundamental problem in theoretical geomechanics primarily because it provides a useful and simple tool for modeling many complex geotechnical problems. This paper describes the simulation of cylindrical cavity expansion of granular materials to investigate their mechanical response under monotonic loading using the discrete element method (DEM). The influence of the micro-properties of the granular material on the macroscopic stress-strain behaviour during cavity expansion observed in the DEM simulation is described. These simulations show that the particle properties have a great effect on the soil behaviour.
INTRODUCTION Granular media such as sand composed of discrete particles exhibit very complex macroscopic mechanical responses to externally applied loading. The discrete nature makes the constitutive relationship very complex. Interpretation of tests on real granular media, such as sand, is difficult because the stresses inside the sample can not be measured and must be estimated from the boundary conditions. The Discrete element method (DEM) is an alternative view of granular materials to investigate their mechanical behaviour at the microscopic level. The discrete element method was first developed by Cundall (1971) for rock mechanics
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and is being increasingly used to simulate the mechanical behaviour of granular materials (Cunall&Strack, 1979; Ting et al., 1989; Rotherburg&Bathurst, 1992). DEM provides the possibility to investigate the mechanical behaviour of granular materials at both micro and macro levels. Some researchers developed a numerical quasi-static model for granular media based on displacement methods of structural mechanics and finite element method (FEM). However, the method was not able to follow large displacement and rearrangements which are fundamental characteristics of state changing processes of granular media. DEM is better in modelling a discontinuous material than other numerical tools such as FEM and BEM (boundary element method). It considers the particle-scale interaction, allowing the micro-mechanics of soil response to be analysed in detail. In DEM, the interaction of the discrete particles is monitored contact by contact and the motion of the particles modeled particle by particle. Cavity expansion analysis focuses on the cavity pressure needed to expand a cavity in soil by a certain amount. The problem of expansion of cylindrical cavities has been dealt with by many investigators in the last 50 years, in connection with its potential applications to a number of practical problems in mechanics and engineering. For the granular material, the discrete element method which is based on discrete properties is an alternative tool for studying the cavity expansion. This numerical analysis technique starts with basic constitutive laws at interparticle contacts and the macroscopic response of particle assemblage under loading can be provided. Many researchers focused on this problem. The boundary condition problems like bearing cavity of granular ground have been studied by Ting et al (1989). Huang and Ma (1994) were the first to use DEM in deep penetration simulations in sand. In their paper, the DEM-BEM simulation technique is described. The granular soil mass near the penetration was simulated by the discrete element method (DEM). However, the soil mass was simulated using the boundary element method (BEM) in the far field, where the strain is expected to be small. The cone penetration mechanism can be evaluated without the complication caused by boundary effects using this method. Later, the study on soilpenetrometer interface friction has been described by Jiang, Yu and Harris (2006). A two-dimensional discrete element method has been used to simulate the deep penetration tests on a granular ground. DEM has been developed to investigate the particle breakage and rearrangement around piles by Lobo-Guerrero and Vallejo
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(2005). The production of particles of different sizes can be caused by particle crushing. It can induce stress relaxation and a lower resistance to pile penetration. In this paper, DEM is used to simulate cylindrical cavity expansion in granular material. Several cylindrical cavity expansion simulations were conducted with different initial porosities. The code PFC3D (particle flow code in 3 dimensions) is used. MODELLING PROCEDURE The DEM code PFC3D was used to simulate cylindrical cavity expansion on samples consisting of spheres (Figure 1). A quarter of fan-shaped sample was generated and loaded by its internal boundary using a constant strain rate. The velocity of its external boundary was automatically controlled by a servomechanism to keep a constant external pressure (Figure 2). Stresses on the walls are determined from the particles contact forces acting on them. The minimum particle radius for each sample was 0.075m and maximum radius was 0.1m. The particle friction coefficient is 0.7 and the normal stiffness and shear stiffness of particles are 1109N/m. Six walls were generated as sample boundaries. The wall friction coefficient is 0 and wall normal stiffness and shear stiffness are 1109 N/m. Around 7000 Particles were generated to fill into this space for each sample. The samples were generated by the particle radius expansion method. After the sample is generated, the sample stress state is adjusted to Pi=Pe=P0. P0 is the initial cavity pressure. Pi and Pe are defined as the internal and external pressures. The loading was carried out by moving the internal wall at a rate of 0.01m/s after the sample reached the initial state. The sample thickness was fixed by front and back walls to simulate the plane-strain condition. Two other walls normal to x and y axes are fixed since it is an axial symmetry of the x and y axes structure. Four samples are generated of different initial porosities. The initial porosities are calculated by measurement sphere which is a function available in PFC3D. Using the measurement sphere, the porosity of each sphere can be obtained. The spheres are generated many enough to cover the whole sample. The finial porosity is decided by using the average value of these porosities. In order to obtain the effect of particle fricition coefficient, there are four different particle fricition coefficients are used for the sample of initial porosity=0.36.
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Pe
b-a
y x
a Pi
Fig 1. A sample of spherical particles RESULTS AND DISCUSSION
Fig 2. Schematic illustration
PFC3D can be used to simulate the soil behaviour under different conditions. The parameters of the particles hold an important place in DEM simulation. The selection of particle parameters has significant influences on the sample behaviours. The effect of particle friction coefficient is given in Figure 3 (a). Figure 3 (b) shows the results of four simulations carried out from initial porosity, n, of 0.36, 0.38, 0.40 and 0.42, in terms of P/P0 against a/a0. This pressure-expansion relationship plotting presents sample initial porosities effect on the cavity expansion curve. The initial cavity pressure for these samples is 20MPa and b0/a0 is circa 6. The various initial porosities of these samples can result from the different particle friction coefficients during the generation of each sample. Once the initial state of the sample is reached, the particle friction coefficient is changed to the same value 0.7. For the sample of initial porosity=0.36, four different particle friction coefficients (0.1, 0.3, 0.5, 0.7) are used. When the sample of initial porosity=0.36 is obtained, change the particle friction coefficient during each loading. So every time the same sample is used before loading. The results in Figure 3(a) show that the friction coefficient between the particles has a large effect on the peak of cavity pressure. The maximum cavity pressures increase when the particle
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friction coefficient increases. It can be seen from Figure 3(b) that the peak cavity pressure ratio (P/P0) varied from 3.1 for the densest sample to 2.2 for the loosest. The corresponding range of internal radius (a/a0) at peak pressure was 1.13 (densest) to 1.28 (loosest). The final cavity pressure ratio, at 1.7 internal radius, was about 2 in all cases. Meanwhile, it is found that the maximum cavity pressures increase significantly while the value of initial porosities decreases.
(a) Fig 3. The cavity expansion curves CONCLUSIONS
(b)
In this paper, a numerical analysis of cylindrical cavity expansion in a granular material is investigated with the aid of DEM. While the analytical approach works at a macroscopic level, the numerical method has the advantages of providing the mechanical behaviour of the granular assembly at both the macro- and microscales. The cylindrical cavity expansion stress-strain curves of cohesionless granular material under monotonic loading are studied.
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The key contribution is that it has been shown that the cavity expansion of granular materials can be modelled using DEM, providing micromechanical insight into the behaviour. Particle parameters have a considerable effect on the simulated behaviour. The maximum cavity pressures increase when the friction coefficient of particles increases. Another procedure which permits the generation of clumps of spheres will be developed to obtain the particle shape effect on the soil behaviour during cavity expansion. DEM is a useful method to simulate cylindrical cavity expansion in a granular material using spherical or non-spherical particles. These simulation results need to compare with the experimental results. REFERENCES 1. P. A. Cundall, A computer model for simulating progressive large scale movements in blocky rock systems, Proceedings of the Symposium of the International Society of Rock Mechanics, Nancy, France, Vol.1, Paper No. -8, 1971. 2. P. A. Cundall and O. D. L. Strack, A discrete numerical model for granular assemblies, Geotechnique, 29, 47-65, 1979. 3. A. B. Huang and M. Y. Ma, An analytical study of cone penetration tests in granular material, Canadian Geotechnical Journal, 31, 91-103, 1994. 4. M. J. Jiang, H.S. Yu and D. Harris, Discrete element modeling of deep penetration in granular soils, Int. J. Numer. Anal. Meth. Geomech., 30, 335-361, 2006. 5. S. Lobo-Guerrero and L. E. Vallejo, DEM analysis of crushing around driven piles in granular materials, Geotechnique, Vol.55, 8, 617-623, 2005. 6. L. Rothenburg and R. J. Bathurst, Micromechanical features of granular assemblies with planar elliptical particles, Geotechnique, 42, 79-95, 1992. 7. J.M. Ting, B.T. Corkum, C. R. Kauffman and C. Greco, Discrete numerical model for soil mechanics, Journal of Geotechnical Engineering, ASCE, 115, 379-398, 1989.
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EFFECT OF GRADATION ON THE CONSTANT VOLUME CYCLIC BEHAVIOR OF GRANULAR MEDIA

Abbas Soroush, Behrooz Ferdowsi*
Amirkabir University of Technology, Department of Civil and Environmental Engineering Tehran, Iran
*
ferdosi@gmail.com
Gradations of granular assemblies have notable effects on their macroscopic behavior under different loading conditions. This paper studies the contribution of the gradations of two assemblies of particulate media on their macroscopic strength under cyclic constant-volume loading condition. It also discusses what happens to the distribution of forces of particles during the loading cycles as an important characteristic of their micro-scale behavior. Discrete Element Modeling (DEM) have been used for simulation of the assemblies. Results of the study show an agreement between the micro- and macro-scale behavior of the two assemblies.
INTRODUCTION Interparticle contact friction, packing density and polydispersity are characterized as the major contributors to the macroscopic strength of granular assemblies [1]. This research focuses on the effect of gradation on the macro- and microscale behaviors of granular assemblies under cyclic Constant-Volume (C.V.) conditions which represents the undrained behavior of granular soils. Previous studies have shown that the degree of polydispersity in densely packed assemblies
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has negligible effect on the macroscopic strength, but in less densely packed specimens, a greater degree of polydispersity would result in higher macroscopic strength [1]. OSullivan & Cui (2009) showed that non-uniform specimen has higher values of particles movement and thus energy dissipation during load reversals, however they observed an increase in stress ratio (q/p) in uniform specimen compared to the non-uniform specimen [2]. In this paper, results of monotonic and cyclic C.V. loading of two granular assemblies are presented. Thereafter, the distribution of forces which is believed to have an important link to the observed macro-scale behavior are presented and analyzed. The micro-scale behavior shows signs of higher amount of localization in the non-uniform specimen by progression of the loading cycles resulting in sooner loss of strength, while the monotonic strength of non-uniform specimen is higher. DISCRETE ELEMENT ANALYSIS In this study, a series of C.V. monotonic and cyclic triaxial tests on uniform and non-uniform assemblies of spherical particles have been simulated by the Discrete Element Method (DEM) [3]. The uniform specimen is consisted of N = 4000 particles having radius of r = 0.25 mm, and the non-uniform specimen includes equal number of particles (N=1500) with 0.2, 0.25 and 0.3 mm radiuses (totally 4500 particles). After generating the specimens by randomly distributing the particles in the box, a strain controlled loading was applied to prepare samples with the same isotropic confining pressures of 55 kPa. Monotonic and sinusoidal cyclic strain-controlled loadings were applied to the specimens. The interaction of the spheres was modeled using the Hertz contact law. MACRO-SCALE BEHAVIOR Figure 1-a shows the stress-strain behavior of the uniform and non-uniform assemblies. It is obvious from the figures that the non-uniform specimen has slightly higher deviatoric stress. This is consistent with the observations of [1] that the polydispersity increases the undrained strength of medium dense to loose granular media.
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The variation of degradation index and induced pore water pressure with the number of cycles for the uniform and non-uniform assemblies are shown in Fig. 1-b. The degradation index () introduced by [4] quantifies the degradation of the shear strength and deformation modulus during cyclic loading. For a cyclic straincontrolled triaxial test with a given cyclic strain ( c ), is defined as:
GSN dN / c dN GS 1 d 1 / c d1
(1)
where GSN and GS 1 are the secant deformation modulus at cycles 1 and N, respectively and dN and d 1 are, respectively, the maximum cyclic deviatoric stresses at these cycles. A lower value of indicates a higher amount of degradation. Fig. 1-b shows that the non-uniform specimen loses strength faster than the uniform specimen by progression of the cycles, especially during the 4th to 6th loading cycles.
non-uniform uniform
q, Deviatoric stress, (kPa)
30
Uniform Non-uniform
20
(b)
non-uniform uniform
(a)
10
0 0
10
Strain (%)
15
20
25
30
Figure 1. (a) Stress-strain behavior of granular assemblies under monotonic loading. (b) Variation of degradation index and pore water pressure vs. loading cycles. STUDY OF MICRO-MECHANICAL PARAMETERS Probability distribution of normal forces during the first six loading cycles in the uniform and non-uniform specimens are illustrated in Fig. 2. The distribution of normal forces of the uniform specimen has a Gaussian distribution in the first cycle (specially at low force values). In the subsequent cycles, the force distribution gradually tends to be more alike exponential distribution. Similar behavior can be observed for the variation of force distribution plots in the non-uniform
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specimen. A Gaussian distribution of forces can be observed up to the third cycle and then the force distribution gradually changes to exponential (decreasing) distribution. It can also be derived from the force distribution plots that the forces lower than the average contact force increases more rapidly in the non-uniform specimen by continuation of the loading cycles. Previous studies have revealed that the Gaussian type of distribution is mostly common for homogenous force chain structures (homogenous force distribution) which usually happens in isotropic confined specimens [5]. Transition from Gaussian to exponential distribution is indicative of an increase in the anisotropy of force distribution and localization. Makse et al. (1998) introduced the participation number for quantification of the localization in force distribution of the granular media as follows [5]:
M M qi2 i 1
1
(2)
M
in which, M is the number of contacts between the spheres, qi f i / f j (3)

j 1
where fi is the magnitude of total force at every contact. From Equation (2), 1 indicates a limiting state with a spatially homogeneous force distribution. On the other hand, in the limit of complete localization, we would have 0 as M . The values of have been computed for the initial state and the next six loading cycles in both of the uniform and non-uniform specimens and are presented in Fig. 3. The participation number decreases from 0.748 and 0.71 at initial isotropic compression state in uniform and non-uniform specimens respectively to 0.55 and 0.49 at the moment of maximum applied strain of 6th cycle, showing a considerable increase in the localization and anisotropy of the forces distribution in the assemblies. The decrease of participation number confirms the gradual transition from Gaussian to exponential distribution of normal forces while the rate of decrease is slightly more in the non-uniform specimen from the 4th to 6th cycles. This indication to the increase of the anisotropy of force distribution confirms the formation of a very disperse contact force network in the 6th cycle in both of the assemblies (not shown here). Moreover, this complies with the gradual decrease of the deviatoric stress of the specimens.
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Uniform specimen
Non-Uniform specimen
Figure 2. Distribution of normal forces for uniform and non-uniform assemblies. Fn expressed as Fn/<Fn> and Ft/<Fn>, respectively for six first shear cycles. <Fn> represents the average of normal forces of all contacts.
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Participation number 0 .7 5 0 .7 0 .6 5 0 .6 0 .5 5 0 .5 0 .4 5 0 1 2 3 4 5 6 u n ifo rm n o n -u n ifo rm
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N (N u m be r of cycle s)
Figure 3. Variation of participation number at initial state (isotropic compression, N=0) and six subsequent loading cycles. CONCLUSION Results of monotonic and cyclic C.V. loading of two uniform and non-uniform granular assemblies were presented in this paper. Although the monotonic C.V. strength of the non-uniform specimen is slightly more, the micro-scale behavior shows signs of higher amount of localization in the non-uniform specimen by progression of the loading cycles resulting in sooner loss of strength in the cyclic C.V. loading of the non-uniform assembly compared to the uniform specimen. REFERENCES 1. M. Muthuswamy, A. Tordesillas, How do interparticle contact friction, packing density and degree of polydispersity affect force propagation in particulate assemblies?, Journal of Statistical Mechanics Theory and Experiment, 06 No. 9, P09003, 2006. 2. C. OSullivan, L. Cui, Micromechanics of granular material response during load reversals : Combined DEM and experimental study, Powder Technology, 193, 289-302, 2009. 3. P.A. Cundall, O.D.L. Strack, A discrete numerical model for granular assemblies, Geotechnique, 29, No. 1, 47-65, 1979. 4. I.M. Idriss, R.D. Singh, R. Dobry, Nonlinear behaviour of soft clays during cyclic loading, Journal of the Geotechnical Engineering Division, 104, No. 12, 1427-47, 1978. 5. H.A. Makse, D.L. Johnson, L.M. Schwartz, Packing of compressible granular materials, Physical Review Letters, 84, No. 18, 4160-63, 1998.
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APPLYING DEM TO UNDERSTANDING JAMMING IN SYSTEMS OF NON-SPHERICAL GRAINS

Gary W. Delaney, Paul W. Cleary and Anish A. Bhuta CSIRO Mathematics, Informatics & Statistics, Private Bag 33, Clayton South, Vic, 3168, Australia We investigate the properties of jammed disordered packings of three dimensional non-spherical grains using the Discrete Element Method. We quantify how various aspects of the grains shape, including its symmetry and surface curvature, affect the properties of the resulting packing when the system jams. We consider both monodisperse packings and mixtures composed of particles with different shapes and sizes. INTRODUCTION Granular materials are all around us, from naturally occurring sands, soils and stones, to the aggregates used in concrete. They are important in a diverse range of industries, including food production, mining and pharmaceuticals. Understanding the structural properties of granular packings composed of differently shaped particles is a key fundamental aspect of the study of granular materials [8, 4, 5]. It also has many important applications, from simple matters of designing efcient shapes for transportation, to understanding the complex structural properties and the inter-grain force network in real granular assemblies [1]. It also has potential applications in areas of material design and in the production of high strength concretes [6]. In this work we investigate granular packings composed of a wide range of particle shapes [3]. We quantify how particular aspects of the particles shape, inSimulations of Discontinua Theory and Applications 330
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cluding its surface curvature and symmetry, affects the properties of the packing when the system jams. We also consider packings composed of mixtures of grains with different shapes and sizes. METHOD We investigate the packing properties of 3D superellipsoids dened by: x a
m
y b
z c
= 1,
where we will refer to m as the shape parameter, and a, b and c are the semi-major axis lengths. We will consider biaxial grains, setting a = b and dening the aspect ratio = c/b. For m = 2, we recover the general formula for an ellipsoid, while larger values of m generate increasingly cubic shapes. For equiaxed grains ( = 1) we get a progression of superballs, that range from a sphere (m = 2) to a cube (m = ). Other shapes that lie between ellipsoids and cuboids are obtained for values of m > 2 combined with non-integer values of (See Fig. 1). Superellipsoids have previously been utilized in large scale industrial simulations, where they have highlighted the important role particle shape plays in the behavior of granular systems [1, 2]. We utilize a fully dynamic linear spring Discrete Element Method (DEM) simulation to model the interaction between particles [1]. At each iteration we obtain the contact locations and linear overlaps between particles and hence solve for the forces and torques on each particle. Further details of our DEM technique are given in Refs [2, 1]. The particles in our simulations have unit density and are frictionless. We utilize a large spring constant to ensure very low inter-particle overlaps of less than 5 104 d, where d is the major axis length. Our simulations are seeded at a low packing fraction ( < 0.2) in a unit periodic box. We employ a dynamic particle expansion technique, in which the size of the grains is slowly and uniformly increased at a constant volumetric growth rate , while imposing a condition of constant kinetic energy. The simulation has a well dened end point, where the average particle overlap diverges sharply as the system jams. This technique is similar to that dened by the Lubachevsky-Stillinger algorithm for hard particles [7]. The nal density and the resulting structural properties
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Figure 1: Monodisperse packing of ellipsoids (m = 2, = 1.25) (left) and superellipsoids (m = 4, = 0.4) (right). of the packings is dependant on the volumetric growth rate used in the simulation. Here, we choose a growth rate that generates random close packings of ellipsoids (m = 2) and then apply that same growth rate to generate packings of superellipsoids. MONODISPERSE PACKINGS Monodisperse packings in which all of the constituent particles are identical in both size and shape are an interesting idealization of real world granular materials. They are an intrinsically interesting problem, with applications in a diverse range of chemical, biological and crystallographic areas [3]. We have considered monodisperse packings of a broad range of superellipsoids (Figure 1). Two key properties of the grain shape are found to determine their packing behavior: their degree of anisotropy (aspect ratio) and their surface curvature. The large regions of low surface curvature for high m values, readily generate large amounts of face on face inter-grain contacts and thus large amounts of orientational ordering. We have quantied the degree of orientational ordering using several order parameters [3]. These include the traditional S2 parameter quantifying the
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Figure 2: Bidisperse packing of ellipsoids (m = 2, = 0.3) and superballs (m = 5, = 1). The packing fraction is plotted against the relative fraction of ellipsoids vs cuboids in the packing. The densest packing is formed for monodisperse cuboids (0.82) and the loosest for monodisperse ellipsoids (0.66). degree of alignment of the grains major axes and also an averaged order parameter Savg which takes account of any symmetry of the grain axes. Further details are given in Ref [3]. The anisotropy of the grain shape (aspect ratio) has been found to have a very interesting effect on the packing properties. For low m values (near ellipsoidal shapes) where generally very disordered packings are formed, increasing anisotropy is found to increase the density of the resulting packings. Contrarily, for high m values (cuboidal shapes) where the packings are much more ordered, increasing anisotropy is found to disrupt that order and consequently reduce the density of the resulting packings. MIXTURES OF SUPERELLIPSOIDS We have considered a broad range of bidisperse superellipsoid packings. These include simple mixtures of differently shaped equal-volume grains, to mixtures composed of particles with both large size and shape variations (An example of a packing composed of a mixture of ellipsoids and cuboids in shown in Figure 2). We can investigate several key properties of such systems, including maximal density,
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Ordered Cuboids
0.9 0.8 0.7 0.6 2

RCP spheres
0.9 0.85 0.8 0.75 0.7 0.65 0.6 5
4 3 mA 4 3 5 2 mB
Figure 3: Image on the left is of a bidisperse packing of equal-volume superballs with m = 2 (spherical) and m = 5 (cuboidal). The packing fraction variation as the shape parameter m of each of the species is varied is shown on the right. average coordination number and the degree of ordering of the particles. In Figure 3 we show results for packings composed of 50:50 mixtures of bidisperse equal-volume superballs (a = b = c). The superballs shape parameter m controls how cubic its shape is, and is plotted for each species on the horizontal axes. The packing fraction of the resulting mixture is shown on the vertical axis. The loosest packing is obtained for monodisperse spheres (mA = mB = 2) and corresponds to a random close packed arrangement with = 0.64. All other superball mixtures are found to pack more densely, with a monotonic increase in the packing fraction found as mA and mB are increased. The densest packings are obtained for the highest m values, with the monodisperse packings of highly cubic particles (mA = mB = 5) found to pack most densely. We have also quantied the orientational ordering in these packings and found that the increases in packing density are directly correlated to increases in the ordering within the system. CONCLUSION We have examined the structural properties of a broad range of jammed packings of non-spherical particles. The surface curvature and degree of anisotropy in the
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particle shape are found to be key properties in determining the packing behaviour. We have also considered packings composed of mixtures of grains with different shapes and sizes. These allow us to understand how different particle shapes interact with one another in a jammed state, which is highly important in the majority of real world granular systems [3, 1]. The type of numerical packing model presented in this work also has interesting applications in simulations of industrial systems. One such application that is currently being pursued is in particle breakage simulations, where a broken particle needs to replaced with a packing of daughter particles with a realistic shape and size distribution [1]. References [1] P. W. Cleary. Large scale industrial DEM modelling. Engineering Computations, 21(2/3/4):169 204, 2004. [2] P. W. Cleary. DEM modelling of particulate ow in a screw feeder. Progress in Computational Fluid Dynamics, 7(2-4):128138, 2007. [3] G. W. Delaney and P. W. Cleary. The packing properties of superellipsoids. EPL (Europhysics Letters), 89(3):34002, 2010. [4] G. W. Delaney, S. Hutzler, and T. Aste. Relation between grain shape and fractal properties in random apollonian packing with grain rotation. Physical Review Letters, 101(12):1206024, 2008. [5] A. Donev, I. Cisse, D. Sachs, E. A. Variano, F. H. Stillinger, R. Connelly, S. Torquato, and P. M. Chaikin. Improving the density of jammed disordered packings using ellipsoids. Science, 303(5660):990993, Feb. 2004. [6] H. Herrmann, R. M. Baram, and M. Wackenhut. Polydisperse packings. Brazilian Journal of Physics, 33(3), 2003. [7] B. D. Lubachevsky and F. H. Stillinger. Geometric properties of random disk packings. Journal of Statistical Physics, 60(5):561583, 1990. [8] S. R. Williams and A. P. Philipse. Random packings of spheres and spherocylinders simulated by mechanical contraction. Physical Review E, 67(5):051301, May 2003.
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COMBINING DEM AND 3D IMAGING OF REAL GRANULAR SYSTEMS

Gary W. Delaney1 , T. Di Matteo2,3 and Tomaso Aste2,3,4 CSIRO Mathematical and Information Sciences, Private Bag 33, Clayton South, Vic, 3168, Australia; 2 Department of Applied Mathematics, School of Physical Sciences, The Australian National University, Canberra, Australia; 3 Department of Mathematics, Kings College London, The Strand, London, WC2R 2LS, UK; 4 School of Physical Sciences, University of Kent, Canterbury, Kent, CT2 7NH, UK.
1
Three-dimensional X-ray imaging has recently been applied to the detailed examination of the internal geometrical structure of granular systems. We utilize this experimental data as an input into Discrete Element Method (DEM) simulations. This allows us to both improve on previous tomographic measurements of the geometric properties of the system and to obtain information on the dynamic properties of the system. This includes measurements of the force network, stress paths and stability of the system, which are otherwise not directly accessible from physical experiments. INTRODUCTION Two key tools that are utilized in the study of granular materials are computational modelling using the Discrete Element Method and 3D tomographic imaging [1, 4].
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In this work we combine these two technologies, utilizing real experimental data obtained from 3D imaging of granular packings as the input for a DEM simulation, which can then be used to obtain properties of the system that are not available from physical experiments. Bernal and Scott performed some of the earliest work attempting to discern the internal structure of granular systems [2]. They carried out many painstaking experiments using packings of spherical grains. These included pouring paint through the packing, allowing it to dry, then examining the individual spots caused by contacting spheres. Today, modern 3D imaging techniques can be used to look inside 3D sphere packings and obtain their 3D geometric structure. Confocal microscopy has proven useful in examining semi-transparent materials such as glass beads [7], but is not applicable to the study of more complex non-transparent materials. The most promising technique applied to date is x-ray computed tomography [6, 9], which offers the possibility of exactly characterizing the positions, shape and size of each of the grains in the packing. This has been used to extensively investigate very large disordered sphere packings [1]. This work has produced the AAS database of disordered packings comprising the coordinates (with precision better than 1% of the sphere diameters) of more than three million spheres from 18 samples of mono-sized acrylic and glass spheres prepared in air and in uidized beds [8]. DEM SIMULATIONS The Discrete Element Method (DEM) has been widely used to simulate granular matter, powders, bulk materials, rock mechanics and many other systems that are of great scientic and industrial importance [3]. We employ the Hertzian interaction law and incorporate a viscoelastic dissipation into the collision process, with the normal force between two contacting spheres given by Fn = kn n n n vn
3/2 1/2
(1)
where kn is the spring stiffness, n is the overlap, n is a dissipation parameter related to the coefcient of restitution, and vn is the relative normal velocity. The normal d 1/2 E spring stiffness is given by kn = 3(12 ) , where d is the grain diameter, E is Youngs
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Figure 1: Combined tomographic and DEM reconstruction of a sphere packing. The inner spheres that are part of the DEM simulation are shown in red, with the xed boundary spheres rendered translucent. The whole sample is shown (left) and also the sample with a section removed (right) to show the internal structure of the packing. modulus and is Poissons ratio. We model the tangential or shear interaction between the spheres by Fs = min(|ks n s s vs |, |Fn |) sign(vs )
1/2
(2)
where s is the tangential displacement, is the kinematic friction coefcient between the spheres and vs is the relative tangential velocity. DEM RELAXATION OF AN XCT SAMPLE We consider a set of 4 packings of mono-sized acrylic beads packed in a cylindrical container with an inner diameter of 55 mm and lled to a height of 75 mm. These cover a range of densities and correspond to samples B ( = 0.5971), D ( = 0.6258), E ( = 0.6288) and F ( = 0.6367) in Ref [1]. We use realistic physical parameters for acrylic beads having: radius r = 0.795 mm, Youngs modulus E = 3.2 GPa, Poisson ratio = 0.3, density 1150 kg/m3 , and inter grain static friction coefcient = 0.28.
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The experimental packings are all at static mechanical equilibrium. The coordinates of the grain centers obtained from XCT analysis are used as the initial conguration in our DEM simulation. The spheres located at the sides and the bottom of the sample (within four diameters of the boundaries) are xed in position and top of the system is left open to allow for the possibility of small expansions of the system during the relaxation process. The DEM simulation is then performed on the N 7000 unxed spheres in the central region of the sample, with the boundaries provided by the outer xed spheres (See Figure 1). In a typical simulation, the spheres re-arrange from the initial positions by moving only a small fraction of their diameters to settle into the nal conguration where force and torque are balanced and the system rests in mechanical equilibrium. The nal average height of the grains is within 0.1-0.2% of the initial average height and the average displacement of the centers of the spheres during the relaxation process is less than 5% of the sphere diameters. Large values of the normal and tangential dissipation parameters n and t are used to ensure the relaxation is purely quasi-static and we have veried that during the relaxation process grains keep an average number of contacts larger than 4. Essentially, the relaxation dynamics consists in a re-equilibration of the elastic stress trapped in the grain overlaps in the initial congurations which are unphysical and unbalanced and are due to the experimental uncertainties on the grain positions, grain polydispersity and a-sphericity. From the experimental bead pack, we have thus produced a simulated ideal mono-disperse sphere packing, a virtual packing, that matches the original geometry of the experimental bead pack and that can now be used to compute with precision several static and dynamical properties which are otherwise not directly accessible from experiments (e.g. force network, avalanches precursors, stress paths, stability, fragility, etc.). FORCE DISTRIBUTION Figure 2 shows the distribution of the normal forces at the inter-grain contacts measured in an internal part of the sample 4 sphere diameters away from the boundaries. We see that the majority of the forces in the system are carried by only a small fraction of the inter-grain contacts, and thus a large fraction of contacts are carrying

0.25
Complementary Cumulative Distribution
10
0
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0.2 Relative Frequency
10
0.15
10
10
0.1
10
0.05
10 fn / <fn>
15
20
0 0
fn / <fn>
Figure 2: Distribution of the normal forces at the inter-grain contacts for samples B (red circles), D (green squares), E (blue diamonds) and F (magenta triangles). The inset shows the complementary cumulative distribution plotted on a log-linear scale. only small forces. The shape of the distributions shows an exponential drop off and this can be seen clearly in the straight lines present in the inset showing the complementary distribution plotted on a log-linear scale. This force information is one of the key additional measurements that we can obtain from our combined DEM and 3D imagining approach. We have utilized this to study the in-depth nature of the forces at the individual grain scale, examining how the local geometric properties (using measures such as the Voronoi volume and local coordination number) affect the structure of the force network [5]. CONCLUSION AND OUTLOOK We have outlined the details of a novel approach to combine Discrete Element Simulations with real experimental data from tomographic imaging. This approach has the potential to provide the key bridge between the two main methodologies, experimental and computational, that are being used to explore and better understand granular matter. By more closely brining together these investigations, we can obtain a more complete and condent picture of the properties of granular matter; providing the key information necessary to formulate and test new theories. In future work we will explore the combination of high speed tomography and
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other bulk imaging techniques with DEM during dense granular ow and at the jamming transition. The role of grain shape in granular systems is also of great interest [4, 5] and an extension of our technique to consider three-dimensional nonspherical grains will also be pursued. Acknowledgements - Many thanks to T.J. Senden and M. Saadatfar for their work in obtaining the tomographic data. References [1] T. Aste, M. Saadatfar, and T. J. Senden. Geometrical structure of disordered sphere packings. Phys. Rev. E., 71:061302, 2005. [2] J. D. Bernal and J. Mason. Packing of spheres: Co-ordination of randomly packed spheres. Nature, 188(4754):910911, December 1960. [3] P W Cleary. Predicting charge motion, power draw, segregation and wear in ball mills using discrete element methods. Minerals Engineering, 11(11):1061 1080, November 1998. [4] Gary W. Delaney, Stefan Hutzler, and Tomaso Aste. Relation between grain shape and fractal properties in random apollonian packing with grain rotation. Physical Review Letters, 101(12):1206024, 2008. [5] Gary W. Delaney, T. Di Matteo, and Tomaso Aste. Combining tomographic imaging and DEM simulations to investigate the structure of experimental sphere packings. submitted to Soft Matter., 2010. [6] GW Delaney, S Inagaki, T Di Matteo, and T Aste. Virtual experiments on complex materials - art. no. 68020G. Complex Systems II, 6802:G8020G8020, 2008. [7] M. M. Kohonen, D. Geromichalos, M. Scheel, C. Schier, and S. Herminghaus. Oncapillary bridges inwet granular materials. Physica A, 339:715, 2004. [8] See. http://wwwrsphysse.anu.edu.au/granularmatter/, 2006-2009. [9] M. Tsukahara, S. Mitrovic, V. Gajdosik, G. Margaritondo, L. Pournin, M. Ramaioli, D. Sage, Y. Hwu, M. Unser, and Th. M. Liebling. Coupled tomography and distinct-element-method approach to exploring the granular media microstructure in a jamming hourglass. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 77(6):06130611, June 2008.
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DISCRETE ELEMENT MODELLING OF COMPACTION BEHAVIOUR OF AGGLOMERATED AND AGGREGATED NANOPOWDER

Avinash Balakrishnan, Patrick Pizette and Christophe L. Martin
Laboratoire SIMaP GPM2, Grenoble-INP, BP46, 38042 Saint Martin dHres cedex, France. Email: christophe.martin@grenoble-inp.fr
In the present work, Discrete Element Method (DEM) is used to study the effect of particle size in aggregated and agglomerated ceramic powders during compaction. Agglomerates and aggregates are modelled as porous systems consisting of 5000 monosized particles held by adhesive forces and strongly bonded by solid necks, respectively. Series of 100 crushing tests are carried out to obtain the characteristic strength of a single agglomerate or aggregate with particle sizes of 10, 100 and 1000 nm. Stress-strain curves indicate that the agglomerates behave plastically while aggregates are brittle. It is also observed that with decreasing particle size, agglomerates and aggregates exhibit increasing strength. Simulation of the uniaxial compaction of agglomerated and aggregated powders demonstrates that below a critical particle size, adhesive forces play an important role thus explaining the difficulty to compact nanosized powders.
INTRODUCTION Agglomeration (sticking of particles) and aggregation (particles bonded by fused necks from a high temperature process) are common phenomena observed during nanopowder synthesis. If these agglomerates and aggregates are too strong,
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their survival may retard the powder compaction leading to a non uniform poresize distribution and internal cracks which act as strength-limiting flaws for the compact. Although microscopy techniques have been developed to characterize the microstructure of these porous systems; their mechanical properties can not be retrieved easily, especially for submicronic particles. DEM has been successfully employed to predict the mechanical properties of these porous systems [1-3]. However, the effect of particle size and of the resultant adhesive forces (van der Waals forces of attraction) on their mechanical behaviour has not yet been fully explored. Thus, the present study utilizes DEM (dp3D code developed at Grenoble-INP), to study the compaction behaviour of both agglomerates and aggregates made of submicronic particles. DEM is used to model porous spherical aggregates and agglomerates consisting of 5000 monosized particles. Three different primary particle sizes of 10, 100 and 1000 nm are considered. MODEL DESCRIPTION For agglomerates, particles in contact follow the DMT (Derjaguin- MullerToporov) model [4]. The tensile force, Nf, necessary to break the adhesive bonds between two particles of radius R with surface energy is given by
N f = 2 s R
(1)
while the repulsive term is given by the classical Hertzian term. In case of an aggregate, the contact law between bonded particles is derived from the finite element calculations of Jefferson et al. [5]. Two types of contacts are involved: i) particles are bonded together by fused neck with bond strength b and contact radius ab=0.3R and ii) once the bond has failed in tension or shear, the particles come under the influence of adhesion. In this case, if particles approach each other, a contact can be reactivated by taking the history of the existed bond into account. This broken bond may then transmit compressive load as before the fracture and may transmit tensile forces according to eqn (1). Owing to the nanometer size of ab that holds particles together in aggregate, b was assumed to be of the order of E/100 where E=200 GPa is the Youngs modulus. Bending and shearing moments are also included in the aggregate model.
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Fig 1. a) Crushing of a) agglomerate and b) aggregate between two platens at increasing strain. Stress strain profile of c) plastically deformed agglomerate and d) aggregate exhibiting brittle fracture. The particle size in both cases is 100 nm. More details on the aggregate model can be obtained in previous works [3,6]. Friction forces are considered for non-bonded contacts by using a simplified Hertz-Mindlin model applied on the repulsive part of the contact force. For both models, the surface energy (eqn (1)) is set to 1 J.m-2. For both agglomerates and aggregates, porosity is approximately 40 %. CRUSHING TESTS AND CLOSE DIE COMPACTION Fig 1 (a) shows the typical evolution of an agglomerate crushed in between two rigid plates. Friction coefficient between the particles and the platens was set to 0.5 to ensure no slippage at the interface. Contrasting to Fig 1 (a), Fig 1 (b) shows the crushing evolution of an aggregate, which exhibits brittle fracture by breaking typically in two or three large chunks. Stress strain profile of agglomerate (Fig 1(c)) shows a peak stress, indicating the fracture of some adhesive bonds, after which the stress decreases to a non-zero plateau-like value at a certain axial strain. Fig 1(d) shows the typical stress-strain profile for the aggregate. The aggregate behaviour is brittle and the stress becomes nearly zero for strain larger than 5%. It should be noted that for aggregate with primary particles of 10nm, the microstructure evolution during crushing and stress strain profile resembles agglomerate.
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Fig 2. a) Weibull plot relating the fracture probability Pf to the peak stress p for agglomerate and aggregate b) Characteristic strength 0 for aggregates and agglomerates (calculated from 100 crushing tests) as a function of particle size. Series of 100 numerical crushing tests were conducted on agglomerates and aggregates generated from different random seeds. The obtained peak stress data (p) is analyzed with the median ranking method to yield the Weibull parameters. The cumulative probability of fracture, Pf for an applied stress is given by:
Pf = 1 exp ( / 0 )
m
(2)
where 0 and m are Weibull parameters. Weibull modulus m increases with decreasing particle size (Fig 2a), thus indicating a decrease in strength spread with decreasing particle size. Fig 2 (b) shows clearly the particle size effect on agglomerate strength. For aggregates, size effect arises only when size reduces from 100 to 10 nm. For such sizes, strongly adhesive bonds replace solid bridges that have broken. In the present study, the particle size at which this transition occurs is 20 nm as depicted in Fig 2b. To simulate a close die compaction of agglomerated or aggregated powder, a representative volume element made of 10 spherical agglomerates and aggregates as described above is used. In each case agglomerates and aggregates are located
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randomly in a periodic simulation box such that they should not contact each other. The procedure for densification has been explained in detail elsewhere [7]. The end of this first stage leads to a density of the order of 0.30-035 also known as tap density. The interparticle friction is set to 0.5. Fig 3 (a&b) show the microstructural evolution of aggregates and agglomerates under compaction. Both microstructures exhibit some indication of anisotropy with some aggregates clearly more deformed in the axial direction. For aggregates, particles that are bonded and fail come under adhesive interactions as per eqn (1). Thus, particle rearrangement within the powder reduces as inter particle adhesion becomes dominant for smaller primary particle size. This can be observed for both aggregates and agglomerates as larger stresses are needed to obtain a given relative density when nanosized primary particles are used. This is clear from Fig 3c where the evolution of the compaction stress for aggregates and agglomerates packings is plotted for various particle sizes.
Fig 3. Microstructural evolution of a) agglomerates and b) aggregates during compaction c) Compaction Stress Vs Relative density for different particle sizes.
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CONCLUSIONS The present work uses DEM to study the compaction behaviour of agglomerated and aggregated nanopowders. Aggregates are brittle when their primary particles are 100nm, while agglomerates tend to behave plastically. As the primary particle size decreases to nanoscale values (10 nm), the collective rearrangement of agglomerates and aggregates (and of primary particles) is hindered by adhesive forces during close die compaction. Thus, the stress needed to compact an agglomerated and aggregated powder to attain an optimal green density is increased with smaller particle size, explaining the difficulty to consolidate nanopowders. ACKNOWLEDGEMENT IFCPAR/CEFIPRA is acknowledged for financial support (project 3608-3). REFERENCES
1. J Nam, J J Lannutti. Localized Densification during the Stage II-III Transition: Compaction Efficiency at High Pressures. J. Am. Ceram. Soc. 87, 557-564, 2004. 2. D Golchert, R Moreno, M Ghadiri, J Litster. Effect of granule morphology on breakage behaviour during compression. Powder Technol. 143-144, 84-96, 2004. 3. C. L. Martin, D. Bouvard, G. Delette, Discrete element simulations of the compaction of aggregated ceramic powders J. Am. Ceram. Soc., 89, 3379-87, 2006. 4. B. V. Derjaguin, V. M. Muller, Y. P. Toporov, Effect of contact deformations on the adhesion of particles J. Colloid Interface Sci., 53, 314 - 26, 1975. 5. G. Jefferson, G.K. Haritos, R.M. McMeeking, The elastic response of a cohesive aggregate - A discrete element model with coupled particle interaction J. Mech. Phys. Solids, 50, 2539-75, 2002. 6. A Balakrishnan, P Pizette, C L Martin, S V Joshi, B P Saha. Effect of particle size in aggregated and agglomerated ceramic powders. Acta Mater. 58, 802 - 812 2010. 7. C L Martin, R K Bordia. Influence of adhesion and friction on the geometry of packings of spherical particles. Phys. Rev. E, 77, 031307, 2008.
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AGGLOMERATION DYNAMICS OF MAGNETIC NANOPARTICLES IN SIMPLE SHEAR FLOW

Eldin Wee Chuan Lim
Department of Chemical & Biomolecular Engineering, National University of Singapore
Magnetic nanoparticles have been observed recently to exhibit interesting behaviours and clustering patterns under the influence of an externally applied magnetic field. This phenomenon may have important future applications in the biomedical and pharmaceutical industries. However, the interactions between such magnetic nanoparticles and an applied magnetic field are complex and not well understood at present. In this study, a computational approach applying a modified Discrete Element Method (DEM) is used to simulate the phenomenon of clustering of magnetic nanoparticles. For application towards systems of nano-sized particles, the additional effects of van der Waals forces, electrical double layer forces and Brownian forces have been incorporated into the conventional DEM code. Furthermore, the effects of particle-particle and particle-field magnetic interactions have also been taken into account. To our knowledge, this work represents the first attempt in the research literature at extending the DEM methodology towards the study of magnetic nanoparticles. The modified DEM approach developed in this study represents a promising computational technique for fundamental studies of nanoparticle mechanics in general and is expected to gain widespread popularity and importance in the near future.
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INTRODUCTION The study of magnetic nanoparticles has gained considerable interests among research workers in recent years. The potential range of application that these novel magnetic nanomaterials can offer is gradually being recognized and continues to be explored. At a more fundamental level, one of the most important and widely investigated aspects of magnetic nanoparticles is the formation of selforganized microstructures under the influence of an externally applied magnetic field. A suspension of magnetic nanoparticles in a fluid medium can generally be considered as a single magnetic domain with macroscopic properties that are dependent on the properties of individual nanoparticles as well as the interactions between them.1 Although it is well-established that the magnetization of a magnetic fluid is related to the arrangement of the suspended magnetic nanoparticles, which in turn arises due to the effects of interactions between various types of forces present such as Brownian and dipole-dipole interactions for example, current understanding of the kinetics, dynamics and resulting microstructure of the nanoparticle aggregation process is far from complete. In this work, we report the first application of a modified version of the Discrete Element Method (DEM) towards the simulation of magnetic nanoparticle agglomeration with and without an external magnetic field. The various types of interparticle forces that are important in the dynamics of the agglomeration process, such as dipole-dipole interactions, van der Waals forces and Brownian effects, are taken into account through the incorporation of the respective force models into the classical DEM model. The effects of an external magnetic field and shear flow on the propensity of such magnetic nanoparticles to agglomerate and the microstructure of the resulting clusters or chain-like assemblies formed are investigated computationally. COMPUTATIONAL MODEL Discrete Element Method. The molecular dynamics approach to modeling of particulate systems, otherwise known as the Discrete Element Method (DEM), has been applied extensively for studies of flow behaviours in various types of multiphase systems. The translational and rotational motions of individual solid particles are governed by Newtons laws of motion:
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mi
N dv i = (f c ,ij + f d ,ij ) + f dd ,ij + f vdw ,ij + f e ,ij + f B,i dt j=1
(1)
Ii
N di = Tij dt j =1
(2)
where mi and vi are the mass and velocity of the ith particle respectively, N is the number of particles in contact with the ith particle, fc,ij and fd,ij are the contact and viscous contact damping forces respectively, fdd,ij is the dipole-dipole interaction between particles i and j in the presence of an applied magnetic field, fvdw,ij and fe,ij are the van der Waals interaction and electrostatic repulsion between particles i and j respectively, fB,i is the random force arising due to Brownian effects, Ii is the moment of inertia of the ith particle, i is its angular velocity and Tij is the torque arising from contact forces which causes the particle to rotate. The effect of gravity is neglected in the present study. A linear spring-and-dashpot model is implemented for the calculation of contact and damping forces. Long Range Interactions. In the presence of an externally applied magnetic field, magnetic nanoparticles can be considered as magnetic single-domains with d 3 a permanent magnetic moment, i proportional to their volume, i = i M i , 6 where Mi is the intensity of magnetization. By the superparamagnetic magnetization law for a monodisperse, colloidal ferrofluid,1
Mi 1 = coth i s M d i
where i =
(3)
o M d Hd 3 i , o is the permeability, Md is the saturation magnetiza6 kT tion of the bulk magnetic solid, H is the magnetic field strength, k is the Boltzmanns constant, T is thermodynamic temperature and s is the volume fraction of solid present. The anisotropic dipole-dipole interaction energy Edd,ij is then given by1
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E dd ,ij =
1 4 o
i j 3 3 5 ( i rij )( j rij ) rij rij
(4)
where i and j are the magnetic moments of particles i and j respectively and rij is the displacement vector between the two particles. The dipole-dipole force of interaction acting on particle i is then derived from fdd,ij = -Edd,ij. The van der Waals forces of interaction and electrostatic repulsion between particles are calculated as follows:2
f vdw ,ij = Ha d i6 ni 2 6 h ij + 2d i h ij 2 (h ij + d i )
(5)
where Ha is the Hamaker constant and hij is the surface-to-surface separation distance along the line of centers of particles i and j. The electrostatic repulsion between particles due to the so called double layer forces is described by the DLVO theory. According to this theory, the electrostatic potential takes the form of a Yukawa repulsion:2
Z 2 B exp(R i ) exp( rij ) U ij = 1 + R i rij
2
(6)
where Z is the surface charge, B is the Bjerrum length and is approximately 0.7 nm for water at room temperature (300 K), -1 is the Debye-Huckel screening given by 2 = 4Bn and -1 = kT is the thermal energy scale at absolute temperature T. The electrostatic force of interaction between particles i and j is then obtained by fe,ij = Uij. For the size of nanoparticles simulated, it is pertinent to consider the random forces arising due to Brownian effects. The algorithm for simulating Brownian forces is similar to that for generating a Gaussian white noise process:2 d f B,i = 12 f i 2 ' kTt n i (7)
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where t is the time step used in the simulation and ni is a unit vector with a random direction. Simulation Conditions. 5480 spherical nanoparticles of diameter 70 nm and density 1000 kg m-3 were simulated within a microfluidic channel of length 20 m and width 5 m. A time step of 0.1 ns was applied. At the start of each simulation, the positions of all nanoparticles were assigned randomly within the computational domain such that no overlap between any two nanoparticles occurred. The magnetic nanoparticles were allowed to agglomerate within the microfluidic channel for 10-3 s and then shear flow within the channel was simulated for 10-3 s. Periodic boundary conditions were applied to the inlet and outlet of the channel. Shear rates of 2.0 102 s-1 and 2.0 103 s-1, in the presence and absence of an external magnetic field, were applied. RESULTS AND DISCUSSION Fig. 1 and 2 show that an applied shear rate of 2.0 102 s-1 in a microfluidic channel has minimal effect on the agglomeration behaviours of the nanoparticles. However, with a higher shear rate of 2.0 103 s-1, the agglomerates formed both in the absence and presence of an external magnetic field are observed to undergo considerable deformation. The original network structures of the agglomerates are disrupted by the shearing forces and the onset of agglomerate breakage can also be observed. The case where an external magnetic field is applied shows that the strength of the magnetic forces is now insufficient to maintain the vertically aligned orientation of the nanoparticle agglomerates. This represents the first application of the modified DEM algorithm for computational studies of the agglomeration dynamics of magnetic nanoparticles under the effects of shear as well as magnetic fields within microfluidic channels.
(a)
(b)
Fig 1. Agglomeration patterns of magnetic nanoparticles in a microfluidic channel
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after being subjected to shear flow for 10-3 s physical time in the absence of an external magnetic field. The shear rates were (a) 2.0 102 s-1 and (b) 2.0 103 s-1.
(a)
(b)
Fig 2. Agglomeration patterns of magnetic nanoparticles in a microfluidic channel after being subjected to shear flow for 10-3 s physical time in the presence of an external magnetic field. The magnetic field was applied in the vertical direction. The shear rates were (a) 2.0 102 s-1 and (b) 2.0 103 s-1. CONCLUSIONS The agglomeration dynamics of magnetic nanoparticles was investigated computationally in this study. A modified Discrete Element Method (DEM) which takes into account various types of long range interactions which are important for the size of nanoparticles considered was developed. These include magnetic dipole-dipole interactions, van der Waals interactions, double layer forces and Brownian forces. To our knowledge, this work represents the first attempt in the research literature at extending the DEM methodology towards the study of magnetic nanoparticles. ACKNOWLEDGMENTS This study has been supported by the National University of Singapore under Grant No. R-279-000-275-112. The award of a Lee Kuan Yew Postdoctoral Fellowship by the National University of Singapore is gratefully acknowledged. REFERENCES 1. R. E. Rosensweig, Ferrohydrodynamics, Cambridge University Press, 1985. 2. W. B. Russel, D. A. Saville, W. R. Schowalter, Colloidal Dispersions, Cambridge
University Press, 1989.
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MODELLING NON-SPHERICAL PARTICLE BREAKAGE IN DEM SIMULATIONS

Gary W. Delaney1 , Paul W. Cleary1 , Matt D. Sinnott1 and Rob D. Morrison2
1 CSIRO
Mathematical and Information Sciences, Private Bag 33, Clayton South, 3168, Australia. 2 Julius Kruttshnitt Mineral Research Center, the University of Queensland, Isles Rd, Indooroopilly, Qld, 4068, Australia.
Comminution processes are a critical component in many industries including mineral processing, pharmaceuticals and food processing. DEM is a key tool that can be applied to model and better understand such processes. We extend a previous implementation of DEM particle breakage that utilized spherical particles to consider non-spherical particles. Our new implementation uses super-quadric particles, where daughter fragments with realistic size and shape distributions are packed inside a bounding parent super-quadric. INTRODUCTION Communition processes in which granular particles are broken down into smaller sizes are essential in numerous industries, including mineral processing, quarrying, food processing and pharmaceuticals [6, 1]. DEM implementations of particle
breakage using spherical particles have demonstrated that DEM can offer insights into the communition processes occurring inside complex pieces of industrial machinery [1, 2]. We have implemented a new DEM particle breakage model using non-spherical particles, where particles can be broken and replaced with a packing of daughter fragments that have a desired size and shape distribution. This offers several advantages and allows for more realistic modelling of complex communition processes. We demonstrate this new method with examples of low and high energy particle breakage. In our DEM simulation, we utilize a linear spring dashpot model and represent our particle using super-quadrics (superellipsoids) define by: x a
m
y b
z c
= 1,
(1)
which allows us to consider a wide range of particle shapes ranging from ellipsoids (m = 2) to cuboids (m ). Details of the model are given in Refs [3]. Superellipsoids have previously been utilized in large scale industrial simulations of ball mills [3], screw feeders [2] and sample cutters [4, 2], where they have highlighted the important role particle shape plays in the behavior of granular systems. MODELLING PARTICLE BREAKAGE Previous DEM models utilizing spherical particles have incorporated simple but effective dynamic breakage models [1], where breakage occurs due to both high energy impacts in which the cumulative energy absorption during a collision exceeds a size dependent breakage energy, and compressive fracture where the total instantaneous force applied to a particle exceeds a specifie size dependent compressive stress threshold. In Figure 1 we show an example of a simulation of spherical particle breakage in an industrial jaw crusher. Particles fl w in from the top and fall into the jaw crushing device. Smaller particles fall through the device and are carried away by the conveyor belt below. Larger particles become trapped in the jaws of the crusher and are broken by the large compressive forces. When a particle is broken, it is replaced with a suitable packing of daughter particles. In the jaw crusher example, the smaller of these particles will then fall out of the device onto the belt below.
Figure 1: Spherical DEM simulation of particle breakage in an industrial jaw crusher. Where daughter particles are still too large to exit the crusher, they will undergo further breakage events. NON-SPHERICAL PARTICLE BREAKAGE In our new extension to this model we are able to simulate breakage of non-spherical particles. This requires solving a complex packing problem [5], where we must generate a dense arrangement of daughter fragments in the space occupied by the parent particle. We employ dynamic packing techniques similar to those described in Ref [5], to generate a dense packing inside the bounding parent super-quadric. The packing can be composed of daughter fragments with any desired range of superquadric shapes and come from any desired size distribution. Realistic fragment distributions from drop weight or similar calibration tests can be used to ascertain the appropriate distribution of fragment sizes. In our procedure we begin by identifying a particle that will undergo a breakage event (Figure 2a). We then initialize a set of small daughter particles inside the parent superellipsoid (Figure 2b). The daughter particles are then uniformly increased in size (such that the desired size distribution is maintained) while performing a DEM like dynamic simulation in which the grains collide and interact with one another (Figure 2c) [5]. As we wish to obtain the densest possible packSimulations of Discontinua Theory and Applications 356
Figure 2: Example of breakage of a non-spherical particle. ing, no inter-grain friction is used during the packing process and particles can thus smoothly slide against one another. A point is reached where the inter-grain overlaps of the daughter particles diverges as the particles jam together in their fina configuratio (Figure 2d). The energies of the daughter particles are set using information from the parent particles breakage event and then the DEM simulation proceeds as normal. Figure 3a shows a breakage example that is comparable to what would be expected in a reasonably high energy impact, where a particle shatters into several moderate fragments and a large number of fin particles. The example shown utilizes daughter particles with a range of shape parameters from m = 2 to m = 5, a range of aspect ratios (relative sizes of the three grain axes a, b and c) from 1.0 to 2.0 and a wide distribution of particle sizes, with the particles diameters ranging from 2.5% to 15% of the parents diameter. These various parameters and the choice of distribution can be calibrated from experimental investigations of real particle breakage events. The dynamic packing process can be optimised in several ways. Figure 3 shows how the packing fraction varies during the particle expansion process. Here, we initialize the particles at a low packing fraction of initial = 0.05. An initial rapid growth rate at a constant d/dt is performed, where the particles are uniformly
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b c
Figure 3: (a) Variation in packing fraction during the packing process for a high energy breakage case. (b,c) Example of a low energy breakage case where one primary fragment and a number of fine fragments are formed. expanded, while maintaining the desired size distribution. This continues until switch = 0.60, when the rate is reduced by an order of magnitude for the fina stage of the packing process. The initial fast growth rate is used for computational efficien y, followed by a reduced growth rate to ensure that a dense fina packing is formed. It has previously been shown that denser fina packings are formed for lower growth rates [5]. The values of initial and switch can be chosen such that the packing can be generated in the minimum amount of time, while still achieving a dense packing. In particular much larger values than initial = 0.05 can generally be used and the choice of the switch value can be made based on the expected fina packing fraction value. The possibility of utilizing a non-linear expansion rate is also being explored. In the example shown in Figure 3a, a fina packing fraction of = 0.72 was obtained when packing the particles within the parent superquadric. Larger packing fractions can generally be obtained by utilizing larger numbers of particles that cover a wider distribution of particle sizes. This is illustrated with the example of a low energy particle breakage in Figures 3b and 3c, where one primary fragment is formed with a large number of fine particles. The packing in Figure 3b is formed by 72 particles with a range of sizes from 4.5% to 35% of the parent diameter and has a packing fraction of = 0.62. If we reduce the minimum fragment size and thus include an additional number of smaller particles, then we can obtain a higher packing fraction. This is shown in
Figure 3c, where 184 particles with sizes ranging from 2.25% to 35% of the parents diameter are used, and a packing of = 0.76 is obtained. The minimum resolved fragment size can be chosen such that the particle numbers in the simulation remain within a practical range. CONCLUSION We have described a novel DEM implementation which incorporates a new method for the simulation of non-spherical particle breakage. This overcomes a key limitation in previous implementations that relied on a purely spherical shape description. The packing technique that we employ to generate a dense arrangement of daughter particles within the broken parent is sufficientl general that we can consider any desired size and shape distribution. The method we have introduced will offer several key advantages in particle breakage simulations in industrial communition devices, where realistic particle shapes can be used for the input material and when a particle is broken, progeny with a realistic size and shape distribution can be produced. References [1] P. W. Cleary. Recent advances in dem modelling of tumbling mills. Minerals Engineering, 14(10):12951319, Oct. 2001. [2] P. W. Cleary. DEM modelling of particulate fl w in a screw feeder. Progress in Computational Fluid Dynamics, 7(2-4):128138, 2007. [3] P. W. Cleary. The effect of particle shape on simple shear fl ws. Powder Technology, 179(3):144163, 2008. [4] P. W. Cleary and G. Robinson. Evaluation of cross-stream sample cutters using three-dimensional discrete element modelling. Chemical Engineering Sciences, 63(11):29802993, June 2008. [5] G. W. Delaney and P. W. Cleary. The packing properties of superellipsoids. EPL (Europhysics Letters), 89(3):34002, 2010. [6] O. Hlungwani, J. Rikhotso, H. Dong, and M. H. Moys. Further validation of DEM modeling of milling: effects of liner profil and mill speed. Minerals Engineering, 16(10):993998, Oct. 2003.
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7 SOILS, ICE, ROCK, LANDSLIDES, EARTHQUAKES
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COUPLED DEM-LBM SIMULATION OF A SOIL FLUIDISATION PROBLEM

Xilin Cui, Jun Li, Andrew H.C. Chan, David N. Chapman
A recently developed computational technique coupling Discrete Element Method (DEM) with Lattice Boltzmann Method (LBM) is used to simulate soil fluidisation surrounding leaking pipes. Domain decomposition is adopted so as to make parallel programming possible in the future. An optimum contact detection algorithm similar to no binary search (NBS) is also presented in terms of CPU efficiency and memory requirement. Numerical results indicate the coupled DEM-LBM technique is able to capture the physical behaviour of the fluid-particle system for the pipe leakage problem considered.
INTRODUCTION The problem of leakage from pipes has recently stimulated great interest to researchers not only because it is of special importance in the underground environment, but also due to its complexity and the research challenges it poses. In order to capture the physical behaviour of the problem involving soil erosion and fluidisation in detail, a fine resolution of fluid-particle interaction is necessary. This demand has encouraged the emergence of an innovative numerical technique coupling Discrete Element Method (DEM) and Lattice Boltzmann Method (LBM) [1]. The coupled technique directly simulates both fluid and solid phases, and it enables one to capture the physical behaviour of the fluid-particle system in detail.
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METHODOLOGIES Soft-Particle DEM. DEM provides an effective tool for micro-scale analysis of the behaviour of granular materials. In DEM, granular material is considered as an assembly of separate particles. When the soft-particle approach is used, slight overlap between particles is allowed, and the particles interact with one another only through such contacts. In the present work, for the reason of simplicity, a contact is viewed as a linear spring-dashpot system. Both normal and tangential contact forces can be obtained through the deformation history at the contact. The motion of a single particle is governed by the Newtons second law in the form of the following dynamic equations, ma cv Fc Fb Fh (1) d I c T dt (2) where Fc , Fb and Fb denote, respectively, the total contact force, body force, and hydrodynamic force computed from the fluid phase with m, c, c, and I being the mass, translational and rotational viscous damping coefficients and moment of inertia of the particle. T denotes the total torque applied on the particle. LBM with Large Eddy Simulation (LES). LBM is used as an effective alternative to conventional macroscopic methods for fluid flow simulations. It is a time-stepping procedure, based on microscopic kinetic models. In the classic LBM, the fluid domain is divided into a rectangular or cubic lattice with uniform spacing. Fluid is viewed as packets of micro-particles residing on the lattice nodes. During each time step, particles are allowed either to remain in the same node, or to travel to their nearest neighbouring nodes with corresponding discretised veloc ities ei (i 0,..., n) . In order to simulate fluid with high Reynolds numbers, the Large Eddy Simulation (LES) technique has been implemented with LBM [2]. The governing LBM equation in a turbulence filtered form is given as follows,
~ ~ ~ 1 ~ f i ( x ei t , t t ) f i ( x , t ) * [ f i ( x , t ) f i eq ]
(3)
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~eq ~ where f i are filtered density distribution functions, and f i are a set of filtered equilibrium distribution functions relating to the discretised velocity and the macroscopic variables, including fluid density and flow rate. The effect of the unresolved scale, which is principally responsible for energy dissipation through viscous forces, is considered by a relaxation time * relating to the turbulence viscosity t .
Coupling of Solid and Fluid Phases. The Immersed Moving Boundary (IMB) scheme is adopted for fluid-particle inter-phase treatment. At each lattice node, the LBM equation is modified using a weighting function depending on the volume fraction of each particle that intersects the volume surrounding the lattice node (see Fig.1). In such a way, the fluid flow influenced by the presence of solid particles can be taken into account. On the other hand, smooth and accurate hydrodynamic force and torque acting on a moving particle can also be obtained. The detailed implementation of this coupling scheme is illustrated in Noble and Torczynski (1998) [3].
by particle boundary Volume surrounding the lattice node
Ub
Moving particle
Figure 1. Volume fraction used in IMB Domain Decomposition and Contact Detection. In order to bring a large scale simulation into reality, parallel programming is expected in the future. Therefore, the computational domain is firstly decomposed into separate subregions, and computations can be carried out on each region independently. The fluid interface scheme regarding adjacent regions is detailed in Jun et al (2010) [4]. In DEM simulations with a great number of contacting particles involved, contact detection process usually consumes a considerable amount of time. Among various detection algorithms, the direct mapping scheme (DMS), which is a linear method, is capable of providing the most CPU efficiency. However, in such a
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scheme, a huge amount of computer memory may be required, and adversely limits its applications. An algorithm called no binary search (NBS) for discrete particles with similar size was proposed in 1998 [5], so as the memory required can be significantly reduced. The present work carries out the contact detection with a similar idea to NBS. Each sub-region is further divided into cells with the same size, and the size of individual cells is set to equal the diameter of the largest particle. Direct mapping of all the discrete particles is performed onto regions and cells. A singly connected list of particles is assigned for each region, and the particles mapped onto the region are listed in an ascending numerical order. An issue needs to be addressed here is that an overlap area is adopted at the interface of the regions with a width of the maximum particle diameter. If a particle is centre-located within the overlap area, it is mapped to both of the adjacent regions, so as to meet the robustness requirement of the detection algorithm. With a loop performed over all the particles in a particular connected list, these particles are individually further mapped onto the cells belonging to the particular region. Contact detection is thereafter carried out by checking the particles mapped to a particular cell against others in the neighbouring cells. In this scheme, the CPU time spent on contact detection is proportional to the total number of particles; and the maximum memory requirement in a 2-D case is given as,
M 4N R N C
(4)
where M is memory required for RAM, and N , R, N , C indicate total particle number, total sub-region number, maximum number of particles within one region, and total cell number belonging to each region, respectively. SIMULATION RESULTS The capability of the coupled DEM-LBM technique is verified by a 2-D simulating of a complex soil fluidisation phenomenon with 10,000 particles. A densely packed sand bed with different particle diameters is settled at the bottom of a rectangular container, and a pressure-driven fluid is injected in the middle of the container base. Thereafter, the sand bed undergoes gradual fluidisation.
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The computational domain without space decomposition is divided into a 400*600 lattice grid with the lattice spacing h 0.25mm . In this 2D case, an assumption of the fluid flow paths out of plane is needed to allow permeability to be considered. To comply with this assumption, an effective fluid diameter, which is a certain percentage of the real particle diameter used in DEM, is adopted in LBM calculation [6].
(a) T=1.25s
(b) T=3.75s
(c) T=5s
(d) T=6.25s
(e) T=7.5s
(f) T=8.75s
Figure 2: 10,000-particle sand bed fluidisation with blow-out failure
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The results from the numerical analysis of the fluidisation with blow-out failure of the sand bed are shown in Fig.2. From the results, one can identify that the blow-out behaviour of the particles and the general pattern of the fluid appear to be realistic. CONCLUSIONS The results from the numerical analysis indicate that the coupled DEM-LBM technique is able to capture the physical behaviour of the fluid-particle system in detail. This technique can be regarded as a very promising tool for the investigation of soil erosion and fluidisation surrounding leaks in pipes. Further validation against experimental results will be carried out in further work. REFERENCES 1. B. K. Cook, D. R. Noble, and J. R. Williams. A direct simulation method for particle-fluid systems. Engineering Computations, 21(2-4), 151-168, 2004. 2. K. Han, Y.T. Feng, and D. R. J. Owen. Coupled lattice Boltzmann and discrete element modelling of fluid-particle interaction problems. Computers and Structures, 85(11-14): p. 1080-1088, 2007. 3. D. R. Noble, and J. R. Torczynski. A lattice Boltzmann method for partially saturated cells. Int. J. Mod. Phys., C, 9: p. 11891201, 1998. 4. J. Li, X. Cui, A. H. C. Chan, and J. Bridgeman. An innovative method coupling Darcy fluid flow and lattice Boltzmann method. Proceedings of the 18th Annual Conference of the Association of Computational Mechanics in Engineering, 29-31 March 2010, University of Southampton, UK ed. A. Zervos, p.191-194. 5. A. Munjiza, and K. R. F. Andrews. NBS contact detection algorithm for bodies of similar size. Internation Journal for Numerical Methods in Engineering. 43, 131-149, 1998. 6. D. F. Boutt, B. K. Cook, B. J. O. L. McPherson, and J. R. Williams. Direct simulation of fluid-solid mechanics in porous media using the discrete element and lattice-Boltzmann methods. Journal of Geophysical Research, 112, B10209, 2007.
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FOLD DEVELOPMENT IN COMPRESSED MULTILAYERS MODELLED WITH FEMDEM

John-Paul Latham, Jiansheng Xiang and Adrian Shelley
Imperial College London, Department of Earth Science and Engineering
Folded rock strata provide ubiquitous structural evidence that compressional tectonic regimes have been active in most parts of the world at various periods in Earth history, yet mechanical explanations for the variation in styles of these fold structures are highly speculative. Geologists have constrained typical bulk geological strain rates during folding to be between 10-13-10-15 sec-1 but face a huge range of possible rheologies and ductile styles of deformation including sinusoidal, concentric-like, chevron, kink-like and fault-related forms. Most of the breakthroughs in the understanding of geological folding in the 60s and 70s came about through experiments with physical analogue models combined with predictions from analytical theories, many of which were based on elastic theory or linear and power law viscous theory valid for small strains only. Nowadays, structural geologists increasingly turn to numerical modelling methods to simulate the growth of initial instabilities into large finite strain structures. FEMDEM modelling which combines the finite element method FEM (for the internal deformation) and the discrete element method DEM (for the discrete interactions between sliding layers or folding fabric elements) has a potential advantage here over FEM as it can combine brittle deformation and discrete slip with bending and shearing internally within multilayers. This paper illustrates preliminary results of plane strain FEMDEM simulations of multilayer deformation which were performed using the www.VGeST.net suite of simulation tools.
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INTRODUCTION Compositional layering, mineral textures or a series of parallel discontinuities are often the key components in tectonic folds as they tend to be the mechanically active elements. To a first order approximation, all three components can be represented by mechanically homogeneous materials of anisotropic rheology. One of the most intriguing folding theories is Biots (1965) theory for internal buckling of homogeneously anisotropic materials. When applied to a competence contrast between regular alternations of layers, two bulk moduli for resistance to shortening and resistance to shear govern the form of instability. For compression parallel to layering Biots small strain elastic theory predicts a sinusoidal buckling (Type 1) instability with axial planes growing normal to the compression. Fig. 1a is a geological example of this type of instability after the folds have amplified. When the layering is at 45 degrees to the principal compression, the theory indicates conditions to be ideal for localised shear (Type 2) instability to develop. These propagate along characteristic directions at approximately 45 degrees to the compression direction. The original figure presented by Biot in 1965 showed this Type 2 solution to be expressed by a deformation pattern that resembled what geologists termed a kink-band, such as seen in Fig. 1c. The conditions which promote localised kink-band formation in preference to diffusive buckling modes have been investigated experimentally by several geologists, who also referred to Biots theory, e.g. Cobbold, Cosgrove and Summers (1971) and Cosgrove (1976). They proposed that for layer parallel shortening a high mechanical anisotropy combined with locally inclined layer attitude could lead to local modulus inversion sufficient to kick off tabular Type 2 instabilities. Honea and Johnson (1976) also performed a series of experiments with an elastic sheet bilaminate with high competence contrast (Fig. 1b) as well as experiments with identical elastic sheets separated by frictional contacts, (Fig. 1d). They associated kink-banding with the overcoming of frictional resistance locally on interfaces at low angles to the principal compression together with plastic failure in hinges to create the localized sharp forms for the tabular kinked zones. A high competence contrast, they therefore suggested, would favour sinusoidal buckles, amplifying into concentric and chevron forms with box-shapes becoming necessary at planar boundaries for high strains. Our simulations are directed towards this debate and the various interpretations of conditions that favour either sinusoidal buckling or kinking.
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c d Fig 1. Expression of instability in multilayer systems compressed parallel to the layering. Top: Sinusoidal Buckling Instability often interpreted as Biots Type 1 Instability. Bottom: Conjugate reverse kink-bands sometimes interpreted as Biots Type 2 Instability. Left: Examples from nature; (a) in a mica fabric from Mesozoic metasediments, after Cosgrove (1976); (c) in a layered phyllite, West Cork, Ireland after Cobbold et al. (1971). Right: Examples from experiments with compressed elastic sheets by Honea and Johnson (1976); (b) stiff photoelastic rubber/soft gelatin with Modulus ratio ~45, equal thickness layers lubricated with silicone grease; (d) thin strips of pure gum rubber in frictional contact.
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(a) 4.7
(b) 5.3
(c) 5.9
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(d) 8.2
(e) 5.3
(f) 5.9
Fig. 2 FEMDEM modelling of the growth and locking up of fold structures with percentage shortening as indicated. The simulated folds are developed in an elastic bilaminate multilayer with strong and weak layers having a competence contrast of 20 and allowing interlayer slip. A Coulomb friction coefficient of 0.6 is applied. (a) to (d) Left; Von Mises (VM) stress components and deformation, Right; details also including velocity vectors. (e), (f) show details of the mesh, indicating the magnitude and location of slip between the individual layers near the stage of explosive amplification at about 5% bulk shortening. NUMERICAL MODEL OF MULTILAYER BUCKLING IN BILAMINATE OF ALTERNATING STIFF AND WEAK LAYERS A
The bilaminate model consists of 50 layers representing a 25m thick stack of 50 m long rock layers. Alternating stiff and weak layers of E1 =10 GPa and E2 = 0.5 GPa, have a Poissons ratio of 0.325 and Coulomb friction coefficient of 0.6
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between layers. To achieve significant shortening of ~20%, constant inward displacement rates of 20 ms-1 parallel to layering and constant outward displacements set to 2 ms-1 were applied. Material properties are time-independent. An initial perturbation of part circular form was introduced at the lower boundary. The progressive deformation is shown in Fig. 2. Run-times were about 3-4 hours. By 5.3% shortening, a period of significant amplification begins for the fold at the centre of the domain and limb rotation is clearly indicated. Five antiformal hinges can just be seen and flow cells have propagated to influence almost the entire model domain. The progressive fold development follows the deformation observed in Honea and Johnsons (1976) bilaminate experiments (Fig 1d) almost identically. Discrete slip has clearly occurred on certain layer interfaces and to differing degrees, but increasingly after about 2% shortening (Fig. 2e, f). CONCLUSIONS High mechanical anisotropy of the compressed system investigated in this preliminary study has favored the initiation of Type 1 i.e. sinusoidal buckling. FEMDEM handles complex behaviour including slip between layers, boundary conditions, initial perturbations in layer geometries and material properties, layer thickness ratios, interlayer friction, and material properties including failure within layering. Further developments will be reported at the conference. REFERENCES 1. Biot, M.A., 1965. Mechanics of Incremental Deformations. Wiley, New York, N.Y., 505 pp. 2. Cobbold, P. R., Cosgrove, J. W., & Summers, J. M. 1971. Development of Internal Structures in deformed anisotropic rocks. Tectonophysics (12), 223-253. 3. Cosgrove, J. W., 1976. The formation of crenulation cleavage. Journal of the Geological Society 1976; v. 132; p. 155-178. 4. Honea, E. & Johnson, A.M., 1976. A theory of concentric, kink and sinusoidal folding and of monoclinal flexuring of compressible, elastic multilayers. IV. Development of sinusoidal and kink folds in multilayers confined by rigid boundaries. Tectonophysics, 30: 197-239.
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DISCRETE MODELING OF GEOMATERIALS UNDER EXTREME LOADING

T. Tran1,2, P. Marin1, L. Scholtes2, F.-V. Donz1,2
1 2
Laboratoire 3SR, Universit Jospeh Fourier, Grenoble Universit, France
Earth Science and Resource Engineering, QCAT, CSIRO, Pullenvale, Australia
A numerical model based on a three dimensional Discrete Element Method (DEM) has been used to study the behavior of cohesive geomaterials such as concrete, under a high-confining pressure (up to 650 MPa). At this range of pressures, irreversible compaction of the material occurs and needs to be considered. Within the discontinuous nature of the model, a local constitutive law has been developed to reproduce this phenomenon quantitatively. The computational implementation has been carried out in the Discrete Element and open source code YADE: http://yade.wikia.com [1].
INTRODUCTION During extreme loadings, such as impacts or blasting, the material is subjected to various states of stress. Near the loading zone, irreversible compaction is produced, whereas farther from this location, the material experiences compression with a moderate triaxial stress state [2]. The computational analysis of such events must be able to capture the key features of the material response under such loads: tensile cracking, compression failure, the effect of confinement on the ultimate stress and compaction.
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The complex constitutive behavior of cohesive geomaterials, arising from extensive micro-cracking and macro-cracking, is difficult to characterize in terms of a continuum formulation. Discrete models, which take directly into consideration the physical mechanisms and the influence of the concrete aggregate structure, offer an interesting tool to model fracture, but they still present limitations when confining pressures, encountered for example during impact loading, reach values on the order of 1 GPa. When dealing with non deformable discrete elements at the structure scale, the local behavior needs to integrate local compaction process in order to obtain correct quantitative simulations. FORMULATION OF THE MODEL The algorithm used in the present Discrete (or Distinct) Element Method (DEM), involves two steps. In the first one, interaction forces are computed when elements slightly interpenetrate each other. In the second step, Newton second law is used to determine, for each Discrete Element (DE), the resulting acceleration, which is then time integrated to find the new element positions. This process is repeated until the simulation is finished. For small deformations, cohesive frictional geomaterials exhibit a linear elastic response. To reproduce this behavior, linear elastic interaction forces between the discrete elements are sufficient and lead to small simulation times. In the present model, the interaction force F which represents the action of DE a on DE b may be decomposed into a normal force Fn and a shear force Fs which may be classically linked to relative normal and incremental shear displacements respectively, through the stiffnesses, Kn and Kn2 in the normal direction and Ks in the tangential direction. The normal interaction force can be calculated through the updated local constitutive law, which is shown in Fig. 1, and can be split into two parts, the compressive and the tensile components. In the compressive part, we propose a more complete formulation of Fn in order to take into account the compaction process which occurs at a lower scale than the discretization size of the model. Note that when the interactions deformation reaches an elastic deformation limit max which is related to the interaction distance D1, a hardening-damage response is considered (section BC in Fig. 1).
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Fig 1. Normal interaction force between two discrete elements At this step of the interaction, the normal interaction force is characterized by a nonlinear stiffness Kn2, which is an exponential function of the deformation and it is controlled by three parameters 1, 2 and 3. This stiffness is expressed as,
( - max ) K n2 = K n 1 * e 2 + 3
(1)
where the maximum elastic deformation is defined by,

max =
Deq D1 Deq
(2)
So, the complete normal interaction force becomes,

F = K (D D ) + K (D D ) n n eq 1 n2 1 ab
(3)
In the tensile part, the normal interaction force can also be computed. However, the stiffness may be modified by a softening factor while the softening behavior occurs after the normal force has reached its maximum value, Fn,max. When the rupture occurs (Dab > Drupture), the interaction forces are set to zero. The shear force Fs is calculated by updating its orientation which depends on the orientation
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of the direction passing through the two centroids of the interacting DE, and by adding the increment of shear force. A modified Mohr-Coulomb model has been used in the model. For a given interaction, the maximum normal interaction force Fn,max is defined as a function of the tensile strength T. The maximum shear interaction force Fs,max is characterized by the normal force Fn, the cohesion C, the contact frictional angle c and the internal frictional angle i. When the new contacts appear during the simulation, the tensile strength T is set to zero and their maximum shear force will only be frictional. Finally, to reproduce quantitatively the behavior of a granular material when spherical discrete elements are used, the interaction between DE must transmit a moment [3] which controls the rolling occurring during shear displacement. Doing so, the sliding process increases and the resulting friction angle can reach values corresponding to those measured for concrete materials. PREDICTION FOR HIGH CONFINING PRESSURE The numerical model has been set up (see Fig. 2) to simulate the experimental tests carried out by Gabet [4] on concrete samples. For this purpose, the local parameters of model were first identified using uni-axial compressive tensile tests, hydrostatic tests at 650 MPa and the tri-axial test carried out at 50 MPa. Once calibrated and without changing the values of the local parameters, the numerical model is used to simulate tri-axial tests at other confining pressures. Four tri-axial tests have been simulated for the following confining pressures: 100 MPa, 200 MPa, 500 MPa and 650 MPa (see Fig. 3). They are compared with data obtained from the experimental campaign. In all cases, the same initial numerical parallelepiped sample has been used. Both, experimental and numerical results are presented with lateral-axial strain/axial stress components and volumetric curves. The results indicate that in the hydrostatic phase, the numerical results are very close to the experimental measurements (Fig. 3(a)). In the differential-stress phase, the simulated results are overall comparable with the experimental ones.
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Fig 2. Configuration of tri-axial test Experimentally, for the 100 MPa test, a stagnation of the axial pressure is observed, without reaching a peak as is the case in the 50 MPa test. Then, for the 500 MPa and 650 MPa tests, the stiffness curves gradually decrease without changing slope. All the numerical curves show a stress peak and before it occurs, a decrease of the stiffness is observed in both the model and the experiments.
Fig 3. Stress-strain (a) and mean stress-volumetric strain curves for 50MPa, 100 MPa, 200 MPa, 500 MP and 650 MPa confining pressures. Solid and dotted lines correspond to the numerical and experimental results respectively. As expected, the numerical and experimental volumetric deformations on the hydrostatic phase seem to fit very well (see Fig. 3(b)). However, when the contraction-dilatation transition occurs at the same mean stress value, the amplitudes
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of the maximum contraction of the numerical volumetric curves are lower than the experimental ones. This is directly linked to the observations made on the stressstrain curves. CONCLUSION Within the Discrete model, when the confining pressure is high, the rearrangement of the DEs within the numerical model, which simulates the collapse of porosity, is no longer possible, since the DE cannot be deformed and only overlapping is permitted. Thus, the only way to simulate the whole compaction process numerically is to control how the overlapping between DEs will evolve; this is done by adding the non-linear hardening step to the compressible part of the interaction forces. This is the key point to get a quantitative macroscopic description of concrete (i.e. here, stress-strain or volumetric curves) under extreme static loadings. REFERENCES 1. J. Kozicki, F.V. Donz, YADE-OPEN DEM: an open--source software using a discrete element method to simulate granular material, Engineering Computations, 26(7), 786-805, 2009 2. W, Shiu, F.V. Donz, L. Daudeville, Compaction process in concrete during missile impact: a DEM analysis, Computers and Concrete, 5(4), pp. 329342, 2008 3. J.P. Plassiard, N. Belheine, F.V. Donz, A spherical discrete element model: calibration procedure and incremental response, Granular Matter, 11(5), 1434-5021, 2009 4. T. Gabet, Y. Malecot, L. Daudeville, Triaxial behavior of concrete under high stress: Influence of the loading path on compaction and limit states, Cement and Concrete Research, 38, 403-412, 2008.
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THE APPLICATION OF THE HYBRID STRESS BLASTING MODEL TO IMPROVING THE UNDERSTANDING OF WALL CONTROL BLASTING
Ewan J. Sellers
AEL Mining Services, South Africa
The Hybrid Stress Blasting Model is a continuum - lattice - discrete element code for the analysis of rock blasting. The multiphysics coupling of detonation and rock models are briefly described. The benefits of numerical modelling for reducing the number of test blasts required for the selection of optimal blasting parameters are discussed by considering the case study of wall control blasting at a large open pit diamond mine. The model indicates that the interactions of the rock fragments during the blast are much more complex than previously thought and emphasizes the criticality of correct and accurate inter hole timing.
INTRODUCTION The HSBM model has been developed by an international consortium of mining and explosive companies to model blasting processes from detonation, dynamic wave propagation and rock fragmentation to muck pile formation (Furtney et al, 2009). The new code uses a unique combination of discrete and continuous numerical techniques Here, the model is applied to a case study of wall control blasting on an open pit mine in Botswsana (Oageng, 2008). In this case study, a number of blasts were taken before the optimal solution was determined. Such tests involve expensive and major administrative efforts to bring new explosive
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products onto the mine as well as taking time to arrive at a final design. The availability of a numerical model to simulate the effect of many of these blasting parameters would significantly speed up the time to determine the optimal blast design. This paper describes insights from validation studies of the HSBM model that, though done in retrospect, will provide the knowledge and confidence to apply the HSBM to limit the number of costly test blasts in future wall control blasting applications. HYBRID STRESS BLASTING MODEL (HSBM) The numerical aspects are described in detail by Furtney et al, (2010). A continuum method is used to represent the near-borehole area and the detonation process. The detonation process and axial borehole flow are modeled with a programmed burn approach in which the velocity of detonation, heat of reaction and product-phase behavior are supplied by an external code (Braithwaite et al, 2010). This continuum zone is coupled to a DEM representation of the rock body, which models the wave propagation and initial fragmentation through to muck pile formation. The DEM representation uses a lattice-type method in which rock is represented as a collection of randomly located point masses connected by springs with a tensile breaking strength. Quiet lattice boundaries are used to represent a far-field rock mass; flexible lattice boundary conditions are used to model existing broken rock. A simplified diffusion law based gas flow model describes the flow of high-pressure detonation gas into the newly created fractures. The solving logic is designed for multicore processors on a windows pc and is encapsulated in a user-friendly graphical interface that displays results during code execution. The code includes built-in blast geometries, a customizable non-ideal detonation model, a stochastic joint generator and advanced graphics. CASE STUDY OF WALL CONTROL BLASTING In 2005, a large open pit mine in Botswana was experiencing stability problems in the pit walls as a result of over breaking by incorrect blasting in very weak Kimberlite rock with a compressive strength that ranges from 8MPa to 40MPa. A project to implement specialized wall control blasting techniques was successfully accomplished (Oageng, 2008). As shown in Fig 1, the interventions significantly improved the condition of the final walls, but required a large number of test
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blasts that varied the blasting parameters. Wall control blasting techniques involve firstly creating a tensile pre-split along the line of the final wall with closely spaced blast holes that contain low quantities of explosive, usually decoupled from the side of the blast holes. Then, production blasts are taken to remove rock until only 3 lines of holes remain in front of the presplit. The blasting of these last three lines is known as a trim blast and requires special care in the selection of blasting parameters to produce good wall control by limiting the explosive energy transmission and associated damage in the final wall.
a)
b) Fig 1. Final walls for soft kimberlite rock a) before and b) after the project (Oanageng, 2008)
MODELLING OF DAMAGE DUE TO TRIM BLAST In the first model, only the effect of changing the explosive distribution between holes is considered. A simple model (shown in Fig 2) consisting of a single column of holes and a section of the presplit (shown on plan in Fig 3) is considered. This model uses about 600 000 nodes in 1Gb of memory and took 15 hours to run until 200ms. Fig 4a shows that damage (indicated as broken bonds in the DEM lattice) in the case where the trim holes all have a same amount of explosive penetrates the presplit crack into the final wall. In contrast, when the explosive mass is reduced towards the back of the blast (Fig4b) the presplit holes remain undamaged and protect the rock in the final wall position.
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Fig 2. Model showing line of presplit holes and a line of 3 blast holes forming the trim blast
a)
b)
Fig 3. Plan view of blast. Solid line indicates the free face. Chain dotted line indicates section model with presplit lime (blue dots). The dotted box defines the extent of the plan model. a) shows original 33-100 timing and b) final 75-42 timing with expected throw direction indicated by arrows
a)
b)
Fig 4. Final damage state in section for the case of a) uniform explosive mass in all 3 holes and b) decreasing the explosive mass towards the presplit
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PLAN MODEL OF INTER-HOLE TIMING IN TRIM BLASTS Fig 3 indicates the position of the second model used to develop an understanding of the effect of inter-hole timing. The first 3 holes near the corner of a face are considered. The arrows in Fig3 indicate the conventional understanding of blast throw as being predominantly in the direction perpendicular to the timing contours. Slower timing along the free face leads to a flatter arrow Fig 5b and hence less reaction back into the remaining rock mass. However, the velocity vectors in a sectional cutaway of the second model show surprising complex particle interactions that differ significantly as the inter-hole timing is varied.
Fig 5. Complex particle directions after 150ms as indicated by velocity vectors for a) 33-100 and b) 45-75 timing
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CONCLUSION Selection of the correct blasting parameters leads to better risk management, pit stability, improves mine planning, extends the life of mine and increases the net present value of the project. The Hybrid Stress Blasting Model is a continuum - lattice - discrete element code for the analysis of rock blasting. By considering the case study of wall control blasting at a large open pit diamond mine it has been shown that suitable blasting parameters can be selected upfront to minimize the number of costly test blasts required to improve the blasting practices on mines. The model has improved our understanding of the effect of inter-hole timing on the interactions between the rock fragments. ACKNOWLEDGMENTS Acknowledgments to J.K. Furtney, P.A. Cundall, M Braithwaite, K Oageng, R O Joseph and I Munyadzwe for their technical input. REFERENCES 1. J.K. Furtney, P.A. Cundall, G.D. Chitombo. Developments in numerical modeling of blast induced rock fragmentation: Updates from the HSBM project. Rock Fragmentation by Blasting , Proceedings of the 9th International Symposium on Rock Fragmentation by Blasting, FRAGBLAST9, Granada, Sanchidrin (ed). Taylor & Francis Group, London, 335-342, 2010 2. M. Braithwaite, G.J Sharpe & G.P. Chitombo Simulation of real detonations as an energy source term for the Hybrid Stress Blasting Model, Proceedings of the 9th International Symposium on Rock Fragmentation by Blasting, FRAGBLAST9, Granada, Sanchidrin (ed). Taylor & Francis Group, London, 327-333, 2010 3. K Oageng, R O Joseph and I Munyadzwe. Perimeter control at Orapa Diamond Mine. The Southern African Institute of Mining and Metallurgy Surface Mining Conference. 137-152. 2008.
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DISCRETE ELEMENT SIMULATION OF ROCK CUTTING WITH EVALUATION OF TOOL WEAR

Jerzy Rojek1, Carlos Labra2, Eugenio Oate2
1
Institute of Fundamental Technological Research, Polish Academy of Sciences, Warsaw, Poland

2
International Center for Numerical Methods in Engineering (CIMNE), Barcelona, Spain
This paper presents numerical modelling and simulation of rock cutting processes. The rock is modelled using spherical discrete elements. Estimation of tool wear has been included into the numerical model. The discrete element model has been calibrated by simulation of the UCS and Brazilian tests. Rock cutting with a single point attack pick of a roadheader has been studied experimentally and numerically. A good qualitative and quantitative agreement of numerical results with experimental measurements has been found out.
INTRODUCTION Variety of rock-cutting technologies is used in civil as well as in mining engineering. Design of cutting tools and setting parameters of cutting operations requires knowledge about the cutting process and its parameters. Cutting forces and tool wear are important factors characterizing a cutting process. Experimental studies of cutting processes are expensive and require a lot of tests to check different tool designs and their performance for different process parameters. Theoretical evaluation of the cutting force is not an easy task. Simple analytical models, like those developed by Evans [2] or by Nishimatsu [5], can provide a very approximate estimation of cutting forces only. Numerical methods based on the
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continuum models, like finite element methods, have serious problems in modelling discontinuities of the material occuring during rock cutting [4]. The discrete element method is commonly regarded as a suitable tool to model cutting processes. Due to large computational effort discrete element of rock cutting modelling is often limited to 2D case [3]. Two-dimensional models, however, cannot predict all the components of cutting forces. Here a three-dimensional model is presented. The discrete element model of rock cutting is extended on the evaluation of tool wear. BASIC ASSUMPTIONS OF THE ROCK CUTTING MODEL A numerical model of rock cutting has been developed within the authors own implementation of the discrete element method [6, 7]. The system consisting of a tool and rock sample is considered in the model. The rock material is represented as a collection of rigid spherical particles interacting among themselves with contact forces. The contact force between two particles F can be decomposed into normal and tangential components, Fn and FT, respectively
F = Fn + FT = Fn n + FT
(1)
where n is the unit vector normal to the particle surface at the contact point. The contact forces Fn and FT are obtained using a constitutive model formulated for the contact between two rigid spheres. In the present formulation the elastic perfectly brittle model is used. Initial bonding for the neighbouring particles is assumed. When two particles are bonded the contact forces in both normal and tangential directions are calculated from the linear relationships:
Fn = k n u n , FT = k T u T
(2)
where kn and kT are the interface stiffness in the normal and tangential direction, respectively, un normal relative displacement, uT tangential relative displacement. The tensile and shear contact forces are limited by the tensile and shear interface strengths, Rn and RT, respectively:
Fn Rn , FT RT
(3)
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Cohesive bonds are broken instantaneously when the interface strength is exceeded either by the tangential contact force or by the tensile contact force. In the absence of cohesion the normal contact force can be compressive only and tangential contact force can be nonzero due to friction. In the present formulation the Coulomb model of friction is used. A rock cutting tool is treated as a rigid body with a surface discretized with triangular facets. The tool-rock interaction is modelled assuming Coulomb friction model. The tool-rock contact model is enriched by evaluation of the tool wear. & The wear rate w is calculated using the Archard formula [1]:
& w=k
p n vT H
(4)
where pn is the contact pressure, vT the slip velocity, H the hardness of worn surface, and k a dimensionless wear parameter. DETERMINATION OF ROCK MODEL PARAMETERS A set of micromechanical parameters yielding required macroscopic rock properties has been determined using the methodology developed by Huang [3] based on the combination of the dimensional analysis with numerical simulation of the standard laboratory tests for rocks, unconfined compression test (Fig. 1a) and Brazilian test (Fig. 1b).
a) b) Fig 1. Results of numerical simulation of laboratory strength tests: a) unconfined compression test, b) Brazilian test
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SIMULATION OF ROCK CUTTING WITH A ROADHEADER PICK Validation of the rock cutting model has been carried using experimental results obtained in a laboratory test performed in the laboratory of Sandvik Mining and Construction (Fig. 2a). The tests consisted in cutting of a sandstone block
a)
b)
Fig 2. Laboratory rock cutting test: a) experiment (courtesy of Sandvik Mining and Construction GmbH, Zeltweg, Austria), b) numerical simulation with a rotating roadheader pick. Mechanical properties of the rock have been determined experimentally and are the following: Young modulus E = 18690 MPa, Poisson ratio = 0.23, compressive strength c = 127 MPa and tensile strength t = 12 MPa. The test has been analysed using a three dimensional discrete element model. Rock sample has been discretized using 71,200 spherical particles. For the rock considered the following set of micromechanical parameters has been found for the DEM model: contact stiffness in the normal direction kn = 5.4106 N/m, contact stiffness in the tangential direction kT = 2.16106 N/m, cohesive bond strengths in the normal and tangential direction, Rn = RT = 86 N. The results of numerical simulation are shown in Fig. 2b. Splitting of chips typical for brittle rock cutting can be seen.
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The three components of cutting forces obtained in simulation are plotted in Fig. 3. Numerical forces are compared with experimental average measurements. Quite a good agreement can be observed. The tools used in the laboratory tests of rock cutting have special tips made of copper, a soft material which is easily worn. This allowed us to obtain visible wear effects after few cuts (Fig. 4a). Evaluation of wear was included in the analysis. Evolution of the tool wear predicted by the analysis is shown in Fig. 4b. It can be seen that the wear pattern obtained in simulation agrees very well with the worn area observed in the tools used in laboratory tests.
Fig 3. Rock cutting forces comparison of numerical results with experimental average values
a) b) Fig 4. Wear pattern on the tool surface: a) laboratory test, b) simulation
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CONCLUSION The three-dimensional discrete element model of rock cutting is capable to represent correctly complexity of a rock cutting process. A good qualitative and quantitative agreement of numerical results with experimental measurements has been found out in the validation of the model developed in the present work. The model developed can be employed in the design of rock cutting tools and processes. ACKNOWLEDGMENTS The authors acknowledge partial funding by the EU project TUNCONSTRUCT (contract no. IP 011817-2). Special thanks are given to Hubert Kargl and Jan Akerman from Sandvik Mining and Construction GmbH, Zeltweg, Austria, for providing experimental results. REFERENCES 1. J.F. Archard, Contact and rubbing of flat surfaces, J. Appl. Phys., 24, 981988, 1953 2. I. Evans, The force required for pointed attack picks, Int. J. Min. Engng., 2, 6371, 1965. 3. H. Huang, Discrete Element Modeling of Tool-Rock Interaction, PhD Thesis. University of Minnesota, 1999. 4. J. Jonak, J. Podgrski, Mathematical model and results of rock cutting modelling, Journal of Mining Science, 37, 615618, 2001. 5. Y. Nishimatsu, The mechanics of rock cutting, Int. J. Rock Mech. Mining Sci., 9, 261270, 1972. 6. E. Oate, J. Rojek, Combination of discrete element and finite element methods for dynamic analysis of geomechanics problems, Comput. Meth. Appl. Mech. Eng., 193, 30873128, 2004. 7. J. Rojek, E. Oate, F. Zarate, J. Miquel, Modelling of rock, soil and granular materials using spherical elements, Proc. of the 2nd European Conference on Computational Mechanics ECCM-2001, Cracow, Poland, 26-29 June 2001.
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MODELLING PUNCH-THROUGH TESTS WITH 2D FEM-DEM

Arttu Poloj rvi and Jukka Tuhkuri a Aalto University, School of Science and Technology Department of Applied Mechanics P.O.Box 14300, FI-00076 Aalto e-mail: arttu.polojarvi@tkk. Discontinuous models have been successfully used in numerical modelling of ice rubble, ice pile-up processes, ridge keel deformation and other discrete problems in ice mechanics. This paper describes modelling of ridge keel punch through tests by using a two dimensional combined nite-discrete element method. In a ridge keel, the ice blocks are usually partly frozen together. The freeze bonds between the ice blocks are modelled by using cohesive bonds between the blocks. Failure of the bonds due to tension and shear is allowed. The model was applied to simulation of ridge keel punch through tests. Example simulation runs with different bond strengths were performed. Preliminary simulation results were compared to full-scale results. INTRODUCTION Ice ridges are common and important features in Northern seas. Ridge structure can be divided into three main parts. The visible part above the waterline and level ice is called sail. Close to the waterline lies the consolidated layer. Under the consolidated layer lies a rubble pile of ice which can be extensive in size. This part
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frozen layer
Direction of indentor motion
indentor platen
keel formed by ice blocks
Fig. 1: A sketch of a punch through test. An indentor platen is pushed down into the ice rubble formed by ice blocks partly frozen together.
is called the keel. The keel can be consolidated, unconsolidated or a mixture of these. In a punch through test, a at indentor is ran down into the ice rubble (see Fig 1). From the dimensions of the test set up and measurements during the experiment some material properties for the rubble can be derived. Research has been done on punch through tests in full-scale, laboratory and through modelling (see eg. [4]). In the research reported in this article FEM-DEM [3] was used to model punchthrough tests of a ridge keel. Individual ice blocks forming the rubble are modelled as deformable continuum. The blocks interact through pairwise contacts. The freeze bonds connecting individual ice blocks are implemented using initially rigid cohesive elements. Hence, before the initation of the cohesive crack growth the freeze bond behaves as part of the continuum. A failure criterion related to stress components is used on bond surfaces to initiate crack growth. The material failure within the ice blocks is limited to occur on freeze bonds. MECHANICS In the simulations contact forces were derived using penalty function and poten-
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tial contact force method [3]. The deformation of ice blocks is caused by inertial forces, contact forces, cohesive forces, and buoyant force due to water. The deformation of individual material elements within an ice block is assumed to be small. Material behaviour is assumed to be linear and isotropic until failure. Further, plane stress assumption is used. Material damping in the simulations is viscous. Constant strain triangles elements were used. A detailed description of the determination of internal forces is presented in [3]. The freeze bonds in this work were modelled using initially rigid cohesive bonds i.e. each cohesive bond is generated into the initially continuous mesh at the onset of fracture process as failure criterion at a bond point is reached. After initiation, cohesive crack growth starts and can lead to true crack. The approach to determine the cohesive force during cohesive crack growth is adopted from [2]. The difference here is that the crack initiation and growth can also start in compression due to shear or with pure shear. In this work, the bond positions and further potential fracture sites were dened a priori. This choice was made to study the effect of bonding. Failure criterion F for sea ice by [5] was used to initiate the crack growth. According to the criterion, for the allowed stress states F = b 2 + b 1 < 0. 2 cr cr (1)
In the previous equation, cr and cr are the critical normal and shear stresses, respectively, for the material. As a stress state with F 0 is reached at a bond point, cohesive crack growth initiates. The cohesive crack growth follows linear softening law. SIMULATON RESULTS AND DISCUSSION In Fig 2a, an example of an initial conguration of a punch-through test simulation is shown. To generate the initial ice rubble, rigid blocks with random translational and rotational velocities were released underwater. After releasing, the blocks were allowed to oat due to the buoyant force to form the rubble mass. Freeze bonds were generated after a quasi static rubble was achieved on the contacting parts of
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(a)
(b) Fig. 2: Initial conguration used in the example simulation: (a) a snapshot from the simulation and (b) a sketch illustrating the dimensions, used coordinate system, and boundary conditions (dashed line on rigid boundaries). In (b) w is domain width, h keel depth, and d indentor width. the surfaces of the blocks. Rubble was meshed after the freeze bond generation. The indentor was rigid. In Fig 2b, an illustration of the example simulation used here with boundary conditions, the coordinate system, and the main dimensions is shown. In the simulation, the domain width w = 32 m, keel depth h = 4 m, and the indentor width d = 4 m. A rigid boundary condition was used on the top surface of an elastic layer presenting frozen layer of ice on top of the rubble. For the ice blocks and the elastic layer, the material parameters were chosen after rst year sea ice with Youngs modulus E = 5 GPa and Poisson ratio = 0.3. The critical normal and shear stress values for bonds were varied between cr = 12.5 . . . 50 kPa and cr = 6.25 . . . 25 kPa, respectively. Fracture energy value 15 J/m was used for bonds. In Fig 3, a sequence of snapshots from an example simulation run with cr = 50 kPa and cr = 25 kPa is shown. Further, in Fig 4 the indentor force Fi for the same
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yi = 0.1 mm
yi = 1.0 mm
yi = 1.5 mm
-50 kPa 0 kPa
yi = 9.3 mm
50 kPa
Fig. 3: Snapshots of a simulation with cr = 50 kPa and cr = 25 kPa with various indentor displacments yi . The colormap in each snapshot refers to the stress component yy . Bond sites with true crack are presented with black lines. Subdomain {10 < x < 10, 5 < y < 1} m of the total simulation domain is shown. The grid size in the snapshots is 1 1 m.
90
80
70 yi = 1.5 mm 60 y = 1.0 mm
i
Fi [kN]
50
40 yi = 9.3 mm 30
20
10
yi = 0.1 mm
5 yi [mm]
10
15
Fig. 4: Fi (yi )-graph from the simulation with cr = 50 kPa and cr = 25 kPa. The markers in the Figure refer to the snaphsots shown in Fig 3.
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simulation is plotted as a function of indentor displacement yi . Markers in Fig 4 correspond to the displacements in snapshots of Fig 3. As seen from F (yi )-graphs, the snapshots are from time steps of the local peak values of Fi . The rst assumption for ridge keel shear strength k is usually the assumption of cylindrical (or in two dimensions, rectangular) failure of the keel under the indentor: k = Fi,M AX /2h, where Fi,M AX is the maximum indentor force. From the example simulations k values 6.4 to 11 kPa, highest strength giving the highest value, were achieved. These values are on the range of measured values which are from 1.8 up to 18 kPa [1]. The measured peak forces occur with fairly small values of yi . This is partly due to the chosen boundary condition. CONCLUSIONS In the paper a combined nite discrete element method simulation of ridge keel punch through tests was described. The model was applied to a small example case of a ridge keel punch through test with various bond strengths. REFERENCES [1] J. Heinonen. Constitutive modeling of ice rubble in rst-year ridge keel. Doctoral Thesis, TKK, 2004. VTT Publications 536, Espoo, Finland, 2004. [2] J. P. Morris, M. Rubin, G. Block, and M. Bonner. Simulations of fracture and fragmentation of geologic materials using combined fem/dem analysis. International Journal of Impact Engineering, 33(1-12):463473, 2006. [3] A. Munjiza. The combined nite-discrete element method. Chichester, England. John Wiley & Sons Ltd., 2004. [4] A. Poloj rvi and J. Tuhkuri. 3D discrete numerical modelling of ridge keel a punch through tests. Cold Regions Science and Technology, 56(1):1829, 2009. [5] H. L. Schreyer, D. Sulsky, L. B. Munday, M. D. Koon, and R. Kwok. Elasticdecohesive constitutive model for sea ice. Journal of Geophysical Research, 111(C11S26), 2006.
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COMBINED FINITE DISCRETE ELEMENT SIMULATIONS OF A FLOATING ICE SHEET FAILING AGAINST AN INCLINED STRUCTURE
Jani Paavilainen , Jukka Tuhkuri and Arttu Polojrvi Aalto University, School of Science and Technology Department of Applied Mechanics P.O.Box 14300, FI-00076 Aalto e-mail: jani.paavilainen@tkk.f This paper presents some results of the 2D numerical simulations of ice rubble formation process against an inclined structure. The process was simulated with a two dimensional combined f nite discrete element method (2D FEM-DEM). In the method, a level ice sheet and its fracture were modelled by using the f nite element method. The contact forces between the colliding ice blocks broken off the level ice sheet were calculated by using the discrete element method. Observations made from the simulated process indicate that the pressure peaks on the structure are highly localiced even in two-dimensions. INTRODUCTION Failure of ice cover and rubble pile build-up against an inclined marine structure (lighthouse, bridge pier, etc.) is a fragmentation process where an initially intact ice sheet breaks into discrete ice blocks which then accumulate in the ice-structure interface and thus affect the failure process. It is believed, that in order to understand the failure of ice and ice loads on structures, the ice-structure interaction should
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be studied as a process and simulated. One method for simulating the ice failure processes is the combined f nite discrete element method (FEM-DEM), see e.g. [4]. This paper presents some results of 2D numerical simulations of ice rubble formation process against an inclined structure obtained by using the combined f nite discrete element method. First the used method is brief y presented and then some results of the simulations are examined. COMBINED FINITE-DISCRETE ELEMENT METHOD In the method, the ice sheet and its fracture are modelled by using the nonlinear Timoshenko beam and cohesive crack models. The contact forces of broken ice in the rubble are calculated using the soft contact model. A comprehensive presentation of the method can be found in [6]. Intact ice sheet and the pieces that are broken from it are modelled with nonlinear Timoshenko beam elements in a f nite element scheme.. The basic kinematic assumption of the Timoshenko beam state that the cross sections remain plane but not necessarily normal to the mid surface during deformation. In addition, small strain assumption, large displacements and a viscous damping model are utilized in the model. Before fracture initiation, ice is assumed to behave as linear elastic and the linear constitutive equation for homogeneous and isotropic material is used for def ning the stresses. After fracture initiation, the above constitutive relation changes and the stresses are def ned according to the cohesive crack model. The brittle-ductile and the quasi-brittle models are the two basic types of cohesive crack models. Of these two models, the quasi-brittle model is used as it appears to be more appropriate for sea ice [1]. In addition to f nite elements, interacting ice beams are also composed of one or more discrete elements. The contact detection and the calculation of the contact forces are handled by using these discrete elements. The contact detection is based on the algorithm presented in [5] and the forces between contacting discrete elements are calculated with an elastic-viscous-plastic normal force model and incremental Mohr-Coulomb tangential force model as described in [3].
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Equations of motion for the whole system can be presented in the form M = fint + fcol + fext x (1)
where M is the diagonal mass matrix containing masses and moments of inertia of the discrete elements, x contains the positions xi , yi and rotations i of all discrete elements in the system, fint are the internal forces obtained from the Timoshenko beam model, fcol is a vector containing forces and moments from the collisions and fext is a vector of external forces. The x denotes the second time derivative of x. In the method, the equations of motion (1) are solved with the central difference scheme. SIMULATIONS Overview. A total of 60 FEM-DEM simulations of the process of ice rubble formation against an inclined structure were made. The ice sheet thickness, iceice friction, inclination angle of the structure were the main parameters varied. In the simulations, a f oating ice sheet was pushed at its left end with a constant velocity vp against an inf nitely rigid inclined structure. In the left end of the ice sheet, about 95175 m from the structure, a viscous damping boundary condition was applied. A snapshot of a simulation with ice sheet thickness h = 0.5 m is shown in Fig. 1. At the end of a simulation, the number of discrete elements was between 10621927. Results. The simulated process of ice failure and rubble pile formation in front of an inclined structure was sensitive to initial conditions and to the values of the simulation parameters. These sensitive process details include, for example, instantaneous ice force on the structure and locations of individual ice blocks in the rubble. In the simulations, the rubble pile build-up process was continued for such a long time that most of the extreme load events in the process are assumed to have occurred. This is supported by fact that all the observed phenomena behind the extreme load cases repeated itself in different simulations. Therefore, it was possible to analyze the phenomena behind these different extreme load events in more detail. From a simulation with ice sheet thickness h = 0.5 m, one of these extreme load events was chosen for closer investigation. This event is shown in Fig. 1. The
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time 5744.4 [s]
10 5 0 5 10 15 110 y [m]
60
65
70
75
80
85 x [m]
90
95
100
105
Fig. 1: A snapshot of an extreme load event from a simulation with ice sheet thickness h = 0.5 m. Structure (black), water (light gray), ice (ends of each ice block light gray and ice in between white, individual elements dark gray). Red lines in the rubble shows contact forces above 5% of the maximum contact force between the ice blocks. Thicker line means higher contact force. instant around this chosen extreme event was carefully analyzed with the help of animations, snapshots and pressure plots from the simulation. Fig. 1 illustrates how the force is transferred from the moving ice sheet to the inclined structure. The ice sheet is hitting the rubble on top of the pile in about the middle of the rubble pile. The red contact force chain coming from the ice sheet changes direction downwards and spreads a bit at this point. Nevertheless, at this shown extreme load event, the major contact force chain is seen clearly to hit the structure in a narrow area. From Fig. 2 it can be seen that pressure peaks on the inclined structure are highly localized during this examined load event. Localized pressure peaks, high pressure
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2 0 2
1 0.9 0.8 0.7
4 0.6 y/h 6 0.5 8 0.4 10 12 14 5741 5742 5743 5744 5745 5746 t [s] 5747 5748 5749 5750 5751 0.3 0.2 0.1
Fig. 2: Nondimensional pressure distribution on the inclined structure around the extreme load event at time t = 5744.4 s. Nondimensional pressure presented by the color scale is def ned by p/pmax , where pmax is the maximum pressure on the shown time interval. Only pressures above 10% of the maximum pressure are shown. zones, are observed also during compressive intact ice sheet failure, see e.g. [2]. Simulation results thus show that the same kind of high pressure zone behavior is present in the case of ice rubble pile and structure interaction and that it is present also in two dimensional situations. CONCLUSIONS A 2D combined f nite discrete element method to model ice-structure interaction problem was presented. In the method, ice sheet and its fracture was modelled according to f nite element method by using non-linear Timoshenko beam and cohesive crack models. The contact forces between the colliding ice blocks were
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calculated by using the discrete element method. Observations made from the simulated process indicate that the pressure peaks on the structure are highly localiced even in two-dimensions. REFERENCES [1] Z. Baant and Z. Murphy. Scaling of sea ice fracture part I: Vertical penetration. Journal of Applied Mechanics, 69:1118, 2002. [2] J. Dempsey, A. Palmer, and D. Sodhi. High pressure zone formation during compressive ice failure. Engineering Fracture Mechanics, 68(17-18):1961 1974, 2001. [3] M. Hopkins. Numerical simulation of systems of multitudinous polygonal blocks. Technical Report 92-22, Cold Regions Research and Engineering Laboratory, CRREL., 1992. 69 p. [4] A. Munjiza. The combined nite-discrete element method. Chichester, England. John Wiley & Sons Ltd., 2004. 333 p. ISBN 0-470-84199-0. [5] A. Munjiza and K. Andrews. Nbs contact detection algorithm for bodies of similar size. Int. J. Numer. Meth. Engng., 43:131149, 1998. [6] J. Paavilainen, J. Tuhkuri, and A. Polojrvi. 2d combined f nite-discrete element method to model multi-fracture of beam structures. Engineering Computations, 26(6):578598, 2009.
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ONE DIMENSIONAL COMPRESSION OF SANDSILT MIXTURES USING 2D DEM

Nguyen Hop Minh, Yi Pik Cheng
University College London, Dept. of Civil, Environmental & Geomatic Engineering
Two-dimensional Distinct Element Method (DEM) is used to simulate the deformational characteristics of mixtures with particle size in the range of sand and silt subjected to one dimensional loading. The influence of the amount of small particles (fines) and their contact stiffness are studied.
INTRODUCTION One dimensional (1D) compression testing of an element of granular soil is very common in geotechnical engineering due to its simplicity and its ability to approximate deformation under many loading conditions. Soil specimen is placed within a rigid steel ring without lateral deformation as the sample is compressed vertically. Typical test results show that compression curves of soil samples prepared at different initial densities converge on a same straight line at high stress when plotted in (e,logv) space; this straight line is called the Normal Compression Line (NCL) in the literature. It should be noted that the laboratory testings are normally conducted with reconstituted soils, e.g. clean sands or silts. Experimental data for intermediate graded samples, i.e. mixtures with particles from both sand and silt size ranges, is less well known even though it is not uncommon to find sand-silt mixtures in the field. Behavior of soils with intermediate gradings can be complex and deviated from the general deformation framework suitable for pure sands and/or silts1. For mixture of sand with finer particles, the initial
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void ratio and the slope of the NCL are affected by percentage of fines 2,3. In this study, two dimensional (2D) DEM is used to simulate 1D compression of mixture of sand with silt (non-plastic fine) in order to investigate the effects of contact characteristics and amount of fines on the macroscopic behavior of the mixture. ONE DIMENSIONAL COMPRESSION OF 2D DEM ASSEMBIES DEM samples are prepared by creating assemblies of 2D disks comprising different proportions of sand-size and silt-size particles, the Particle Size Distribution (PSD) of which are given in Fig. 1a. Firstly, disks of different sizes are generated inside a square box. The numbers of disks are specified based on the adopted PSD and the percentage of uniform-size fine (silt) such that the initial void ratio (e, = area of void/area of solid) is 1.0 to obtain very loose assembly. Summary on the number of particles generated is given in Table 1. Note that sand in Table 1 specifies particles with d > 0.4 mm, whereas silts are particles with d = 0.1 mm. During sample preparation, isotropic compression is applied with a temporary particle frictional coefficient of 0.0 and 0.5 to create the initially dense and loose samples at about 100 kPa, measured by a measurement circle. The frictional coefficient is then returned to 0.5 for the subsequent 1D compression. Here, compressions, either isotropic or 1D, are carried out by applying velocity to every disks and walls. The velocity is calculated from a specified strain rate and the current position of particle (or wall). The process, however, is applied in stages. In each stage, at first, all disks and walls move according to the applied velocity in a specified number of time steps, then all the velocities are zeroed and the system are relaxed until unbalanced force becomes negligible when the data is recorded. The simulation is conducted by using PFC2D (ver. 4) 4. Interaction between particles is modeled by using simple linear contact model 4. Input parameters are given in Table 2. Number of disks Sand (big) Silt (small) Total 0% (sand) 1465 0 1465 5% 1392 2864 4256 Fine (silt) content 30% 60% 80% 1023 583 292 17188 34377 45836 18211 34960 46128 100% (silt) 0 57295 57295
Table 1. Number of 2D DEM particles generated for different fine contents
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Parameter Particle density ( kg/m3) Particle friction, Contact elastic modulus, E ( N/m2) Particle stiffness ratio, ks/kn Initial sample size (mm) Wall friction, wall Wall stiffness, kwall
Value 2650 0.5 1x109 1.0 30x30 0.0 100kn (average ball stiffness)
Table 2. Input parameters for 2D DEM simulation Figure 1b plots the variation of minimum initial specific volume, ini (=1+e), obtained for dense samples against %fine. It is shown that firstly, ini reduces as %fine increases from 0% to 30%, then ini increases again as %fines are in the range of 30% to 100%. This tendency actually agrees with experimental result by Lade&Yamamuro2, the trend of reducing ini with %fine indicates small particles filling voids in between bigger particles; the increasing trend indicates big particles being pushed apart from each other and eventually become floaters inside matrix made by small particles2. Compression curves for various %fines are given in Fig. 2. The curves of the dense and loose samples converge on a unique NCL at high stress similar to the experimental data of sands. It should be noted that experimentalists sometimes (not always) observed that the NCL of sand-silt mixtures depend on initial void ratio, which leads to non-convergence of the NCL 1. This behavior, however, is not seen here.
100
Specific Volume, (=1+e) 1.24
80
% Finer
1.22 1.20 1.18 1.16 1.14 1.12 1.10 0
60 40 20 0 0.01 0.1 1 Particle size, mm Sand Silt 10
10 20 30 40 50 60 70 80 90 100 Fine Content (%)
Fig 1. a) DEM particle size distributions b) Initial specific volume with % fines
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1.25 1.20 1.15 1.10 1.05 1.00 1.E+04 1.E+05 1.E+06 1.E+07 Vertical Stress (N/m2) 1.E+08
Loose, 0% Dense, 0% Loose, 5% Dense, 5% Loose, 30% Dense, 30% Loose, 60% Dense, 60% Loose, 100% 1.E+09 Dense, 100%
Fig 2. One dimensional compression curves for different fine contents Slope of the NCLs (Cc) plotted against %fines in Fig. 3a shows similarity with Fig. 1a. As the voids among sand particles are fully filled by silts for %fine = 20%~30%, the big and small particles together resist the applied load. The assembly is less compressible, which can be reflected by a flatter NCL or smaller Cc. The decrease of Cc with %fine from 0% to 10% indicates sand is losing its dominance when fines are added to pure sand sample, although the overall behavior in this range can still be justified as sand dominated. Similarly, the increase of Cc with %fine from 40% to 100% reflects mixture behavior getting more and more dominated by the presence of larger proportion of fines in the mixture.
0.35 Compression Index, Cc Coordination Number, Z 0.3 0.25 0.2 0.15 0.1 0 10 20 30 40 50 60 70 80 90 100 Fine Content, %
Specific Volume, ( = 1+e)
6 5 4 3 2 1 0 0 10 20 30 40 50 60 Fine Content, % Z_ini (dense) Z_ini (loose) Z_final (dense) Z_final (loose) 70 80 90 100
Fig 3. a) Variation of Cc with % fine b) Growth of Z in 1D compression
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1.20 5% (So) Specific volume, (= 1+e) 5% (N) 1.15 5% (St) 30% (So) 1.10 30% (N) 30% (St) 1.05 60% (So)
dense samples
1.00 1.E+04 1.E+05 1.E+06 1.E+07 1.E+08 Vertical stress (N/m2) 1.E+09
60% (N) 60% (St) 1.E+10
Fig 4. Compression curves for softer (So), stiffer (St) and normal (N) fines. Figure 3b describes growth of the coordination number, Z, for dense and loose samples during 1D compression. Initial gap of Z between dense and loose cases seems to be erased at the end of compression. Note that for frictional uniform disks, 3 Z 4 is considered as the minimum value so that the sample can act as a stable system in a solid-like manner 5. In Fig. 3b, both initial and final coordination numbers (i.e. Z_ini and Z_final) for 5% and 10% fines are smaller than 4, which are also lower than other cases. Further microscopic analysis, however, showed that Z_ini calculated separately for sand and silt particles of 5% fine are 3.83 and 0.7 for dense case as well as 2.73 and 0.21 for loose case. Similarly, Z_final = 6.75 (sand) and 2.16 (silt) for dense sample, = 6.54 (sand) and 1.92 (silt) for loose sample. This clearly demonstrates that the behaviors of 5% fine samples are dominated by sand particles. The fines contained inside void space have very little contact with their neighbors. The authors also observed similar results in other 3D simulations of gap-graded DEM assemblies 6. Figure 4 shows the effects of changing particle stiffness of fines. Stiffer (St) and softer (So) fines are created, respectively, by applying contact elastic modulus (E) of 5 times higher and 5 time smaller than the value of E in Table 2 for silt particles. It seems there is no significant change in the slope of NCLs for varied stiffness but the NCL is shifted towards higher stress range for St samples and vice versa for So samples. The original curve of normal (N) stiffness locates in between the two St and So
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cases. Besides, the gap between St and So curves for 5% fine is quite narrow because sand, not silt, dominates the behavior in this case. It then comes at no surprise that the gap becomes wider for other cases of higher %fines in Fig. 4 as the sample behavior is growingly dominated by silts particles with increasing %fine over 30%. CONCLUSIONS Behavior of silty sands under 1D compression can be classified as sanddominated, sand&silt-dominated and silt-dominated depending on fine percentage. Changing particle stiffness of fines in the mixture, hence, can have different effects to the behavior of samples under these three different categories. ACKNOWLEDGMENTS We gratefully acknowledge the sponsor from an EPSRC grant (EP/F036973/1) and the contribution of Messrs. Suliaman Zaheer and Ali Rahal in this article. REFERENCES 1. P.W. Mayne, M.R. Coop, S. Springman, A-B. Huang and J. Zornberg, Geomaterial behavior and testing, Proc. 17th Intl. Conf. Soil Mechanics & Geotech. Engrg., Alexandria, Egypt, 2009. 2. P.V. Lade, J.A. Yamamuro, Effects of nonplastic fines on static liquefaction of sands, Canadian Geotechnical Journal, 34, No. 6, 918-928, 1997. 3. M.R. Coop, J.H. Atkinson, The mechanics of cemented carbonate sands, Gotechnique, 43, No. 1, 53-67, 1993. 4. Itasca, Particle flow code in 2 dimensions (PFC2D) version 4, Minnesota, USA, 2008. 5. M.V. Hecke, Jamming of soft particles: geometry, mechanics, scaling and isostaticity, J. Physics: Condensed Matter, 22, 033101, 2010. 6. N.H. Minh, Y.P. Cheng, One Dimensional Compression of Gap-graded Mixtures in DEM, Proc. Intl. Sym. Geomech. & Geotech.: Micro to Macro IS Shanghai, 2010 (in print).
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USING DISCRETE ELEMENT METHODS TO MODEL SOIL MACHINE INTERACTION

Mustafa I. Alsaleh
Caterpillar Inc., Applied Research
Numerical modeling for soil-machine interaction has been of high interest to Caterpillar engineers and analysts. Such models are essentially used to build virtual models for the whole machine system and the surrounding environment. Therefore, it is very important that two soil-machine interactions can be captured accurately; in other words, soil force prediction and material flows should be as close as possible to real life measurements. Several numerical techniques have been developed and made available in the literature to help model dynamic soil response; for instance, finite element method (FEM), discrete element method (DEM) and mesh free methods (MFM) have shown good success in capturing such behavior. Each of the above methods has its own advantages and limitations, however. The DEM models can be considered to be the most general techniques to model discrete solid systems, such as soil masses. Caterpillar DEM code (ROCKS3DTD) has been under development and use for the last two decades. It has been used to model wide range of earth moving operations. The model formulations and material parameters have been validated using laboratory and full machine tests data. This paper intends to discuss the features of the code and will give overview for some of the applications.
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INTRODUCTION Caterpillar Inc. researchers have been developing and using a discrete element code for the last fifteen years; the code is called ROCKS3DTD. The code uses an advanced computationally efficient contact detection algorithm and can handle any particle shape specified by the user. The contact frictional and normal forces are computed using the well-known Hertzian contact model for cohesionless materials. Additional algorithms are implemented to treat cohesive-like bonds when modeling fine-grained materials. Cohesion is modeled as a cohesive pillar that bond neighboring particles together; when the pillars strain threshold is exceeded the bond between the neighboring particles is broken [1]. Recently, Cosserat rotation has been added to the code kinematics along with particle shape indices described by Alsaleh et. al [2]. This additional degree of freedom enabled the code to capture more of the microstructural properties of the material being modeled (angularity, size, spherecity etc.). Primarily ROCKS3DTD is used to model particulate force responses and material flows. It is capable of linking to full machine models using in-house built codes for modeling machine dynamics, tire-ground interaction, machine hydraulics, etc. Another feature of ROCKS3DTD is its capability of interacting with trackedtype tractors to pass proper forces to the machine through the track shoes. The machine tools can be treated as either rigid and/or flexible bodies. The code is parallelized to take advantage of mutli-threaded processors. The usability, simulation speeds and accuracy of ROCKS3DTD compared to other commercial codes have been found superior. As acknowledged by many researchers, it is very challenging to obtain DEM model parameters that best represent real materials, specially, when dealing with fine-grained materials. Researchers and analysts at Caterpillar Inc. have been successful in defining engineered procedures to map these micro quantities to material physical and macro quantities. Both small scale laboratory testing and full machine testing, are being utilized to develop micro-macro parameter mapping functions. The particle size for instance, a very important DEM parameter, must be chosen carefully. Choosing the particle size for a given model will always have a great trade-off between simulation accuracy and computational cost; special attention is given to this matter. The particle size distribution is established for a
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given model in a way to ensure highest simulation accuracy at the lowest computational cost. This way, the model parameters (micro-mechanical properties such as friction, stiffness, etc.) can be linked to macro properties to achieve better physical representation. ROCKS3DTD can predict the dynamic forces and flows of different discrete system geometries under dynamic loading. As previously mentioned, the contact parameters are micromechanical parameters that are very difficult to physically measure and very challenging to evaluate since it is almost impossible to represent the actual shape and size of real materials. Real materials are very complex to mimic in terms of shape, size, and size distributions. RESULTS AND DISCUSSIONS: Earthmoving operations such as; digging, dozing, ripping dumping etc. had been successfully modeled using ROCKS3DTD coupled with multi-body dynamic models to model machine dynamics. Both rigid and flexible bodies are considered whenever necessarily for machine bodies. Machine performance, payloads, structural life can be reasonably predicted using the coupled models, which helps the engineers and analysts enhance/change machine design for better performance and longer life. Models have been validated extensively using full machine test data and sometime scaled laboratory models.. CONCLUSION ROCKS3DTD has been successfully used across Caterpillar business units to understand machine systems, when they interact with geomaterials, virtually. The code is robust and general enough to model wide range of earthmoving operations. Materials parameters are calibrated using different techniques, such as simple laboratory testing. ACKNOWLEDGMENTS The author would like to thank the applied research department for the continuous support.
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REFERENCES 1. Alsaleh MI and Hofestetter KW, 2007 A Numerical Study for Geomaterials Shear Strength Components using Discrete Element Models, under review 2. Alsaleh, M. I., Alshibli, K. A., and Voyiadjis, G. (2006). The Influence of Micro-Material Heterogeneity on Strain Localization in Granular Materials, ASCE International Journal of Geomechanics Volume 6, Issue 4, pp. 248-259
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THE DEVELOPMENT AND APPLICATION OF STOCHASTIC BLOCK SHAPE MODEL IN CONTINUUM-BASED DISCRETE ELEMENT METHOD
Tianping Liu, Jingjing Lu, Shihai Li, Baojuan Qiao
Institute of MechanicsChinese Academy of SciencesBeijing 100190China
Stochastic block shape model (SBSM) in continuum-based discrete element method (CDEM) is developed to simulate the progressive failure of landslide. The paper compares SBSM with the limit equilibrium method (LEM) and the finite element method (FEM) on analyzing the stability of landslide in detail, and gives the advantage of the method in this field. Then it simulates different damage forms of the earth-rock aggregate slope with different distribution of strength. It also simulates the Liangshuijing landslide happened in November 2008 occurred along the Changjiang River, and obtains the corresponding landslide phenomena. INTRODUCTION Due to the important role of landslide on huge disasters, the analysis of slope stability is very important. The most popular methods to analyze the landslide are the Limit Equilibrium Method and the Finite Element Method. Duncan summarized LEM [1], and Chen Zuyu developed threedimensional LEM [2]. Zhu Dayong theorized the LEM by solving the equation of higher degree [3], and Zheng Yinren introduced the application of the method of strength reduction by FEM and compared the differences among the results based on different strength criterion [4]. Jing Lanru concluded the character and function of FEM and DEM [5]. All of these methods have their own limitations in analyzing the progressive
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failure from continuous to discontinuous statement of the geological body. Aimed at giving more reasonable simulation of the progressive failure, this paper develops SBSM [6-8] and concludes the differences among the LEM, FEM and SBSM, which shows the advantage of SBSM. Earth-rock aggregate slopes are widely distributed in China, which can be quite suitably simulated by SBSM. According to it, this paper simulates typical slopes by the SBSM, and analyzes the failure law. PARISON BETWEEN SBSM AND LEM In LEM, the safety factor K is the ratio of the sum of anti-sliding force and sliding force (Formula 1), which assumes all the points on the potential sliding surface are in the critical failure status simultaneously. With the same hypothesis, there is almost no difference between the value of K calculated by SBSM and LEM. Take the example of a common slope, the safety factor K is 1.084 calculated by LEM (Fig.1) and 1.086 calculated by SBSM, and the slope is stable.
K=
f
i =1 n i =1
anti-sliding force, i
(1)
sliding force, i
However, the points on the sliding surface cannot fail simultaneously, which is different from the assumption of LEM. In SBSM, on the potential sliding surface, each point has its own K i which is the ratio of anti-sliding force and sliding force of this point (Formula 2). Take the previous slope for instance (Fig.2), the points on the potential sliding surface whose safety factors are less than 1.0 will fail, which can change the whole stress distribution, and the slope will be not stable.
Ki =
f anti-sliding force, i f sliding force, i
(2)
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potential sliding surface
Ki of every point
1.8 1.4 1.2 1 0.8 0.6 0.2 0 0 10 20 30 40 50 60 70
Ki = 1
K=1.084
X coordinate of point
Fig.1 The result of LEM
Fig.2 The result of SBSM
FEM can only indirectly reflect the stress distribution of slope on the sliding surface by K, and cannot analyze the progressive failure. However, SBSM can directly give the comprehensive stress distribution of the slope, and simulates the instability caused by progressive failure. COMPARISON BETWEEN SBSM AND FEM In FEM, the Transfixion of plastic strain is usually considered as the instability criterion of landslide, which can give especially good result of soil slope (Fig.3). However, it cannot be used in the simulation of the collapse of rock slope of rock mass and earth-rock aggregate slope. In SBSM the occurrence and development of fractures can be simulated easily, it can provide great advantage in rock slope collapse simulation (Fig.4).
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Fig.3 The result of FEM
Fig.4 The result of SBSM
SIMULATION OF EARTH-ROCK AGGREGATE SLOPES In order to build the earth-rock aggregate slope model, this paper randomizes the regular geometric mesh, and sets the material parameter according to the soilrock ratio. Therefore, the earth-rock aggregate slope model is shown in Fig. 5-6.
Fig. 5 Earth-rock aggregate slope
Fig. 6 Randomized geometric model
A typical slope is built as shown in Fig. 7. Below the sliding surface is the bedrock, the strength of which is very high. Above the sliding surface is the earthrock aggregate, of which the soil and rock distribute uniformly, and the rock volume is forty percent of the total volume. (Unit: m)
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Earth-rock aggregate
Bedrock Sliding surface
Fig. 7 Earth-rock aggregate slope model There are three kinds of block material in the numerical model: rock mass, soil and bedrock. Thus, there should be three kinds of interface parameters: rock mass, soil and bedrock. If the interface is between different kinds of blocks, its parameter values should take the lower ones. The detail parameter values are shown in Table 1.
Variable Density Interface Young Poisson modulus ratio E/pa 31010 Tensile Cohesion Friction angle strength T/pa Rock mass interface 2103 C/pa 2104 / 30
/kgm-3 Rock mass 2.1103
g/mt-2 9.8
0.3
Soil
1.8103
9.8
5109
0.3
Soil interface
1103
5103
20
Bedrock
2.7103
9.8
51010
0.3
Bedrock interface
5106
2106
45
Table 1 Parameter values
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The progressive failure displacement nephogrames are shown in Fig. 8-11.
Fig. 8 Displacement nephogram at the 60,000th step
Based on various combination simulations, as is shown above, to the slope without weak soil layers, it can be concluded that the landslide happens after the cracks appearing between soil and rock mass rather than along some sliding surface integrally. Considering that there may be a weak soil layer between the earth-rock aggregate and bedrock, this paper also simulates this kind of condition. Using the same model shown in Fig. 7, a weak soil layer is assumed between the earth-rock aggregate and bed rock, and the detail parameter values are shown in Table 2.
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Variable
Density
Interface
Young Poisson modulus ratio E/pa 31010
Tensile Cohesion Friction angle strength T/pa Rock mass interface 2103 C/pa 3104 / 40
/kgm-3 Rock mass 2.1103
g/mt-2 9.8
0.3
Soil
1.8103
9.8
5109
0.3
Soil interface
1103
5103
20
Soft soil interface
1103
1103
15
Bedrock
2.7103
9.8
51010
0.3
Bedrock interface
5106
2106
45
Table 2 Parameter values The progressive failure displacement nephogrames are shown in Fig. 12-15.
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As is shown above, to the slope with weak soil layers, it can be concluded that the landslide happens along the weak layer together with the increasing of cracks in the earth-rock aggregate, which is quite different from the previous conclusion without weak layers. Thus, the progressive failure of the earth-rock aggregate slope can be obtained. SIMULATION OF THE LIANGSHUIJING LANDSLIDE The Liangshuijing landslide is located in the Yunyang county, slope zone on the right bank of the Changjiang River (Fig.16), which has great influence on people and shipping. We have already got sufficient database of the slope by the geological survey and the landslide monitoring.
Landslide boundary
Sliding direction
Fig. 16 Liangshuijing landslide
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The Liangshuijing landslide is earth-rock aggregate slope, which is very suitable to be simulated by SBSM .One of the most important phenomenons of the slope is that there is a large fracture on the landslide boundary and a bulging fracture in the middle of the sliding mass. The paper gives corresponding simulation of the progressive failure of the slope that fractures occurred in the stable slope after the water level was up to 172 meters together with the strength of the geologic body reduction (Fig. 17- 19).
Fig.17 Stable slope
Fig. 18 Fractures occurring
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Fracture on the landslide boundary
Bulging fracture in the middle of the sliding mass
Fig. 19 Fractures phenomenon up to now
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CONCLUSION This paper develops SBSM to analyze the landslide. And the results can be summarized as follow: (1) SBSM can well simulate the progressive failure of the landslide. (2) SBSM can simulate the instability caused by progressive failure, which cannot be analyzed by LEM. (3) SBSM can easily simulate the occurrence and development of fractures, and provide great advantage in rock slope collapse simulation, which is difficult for FEM. (4) This paper simulates the Liangshuijing landslide, and obtains the corresponding landslide phenomena, which has been regarded as important decision-making basis in the governance of the landslide. ACKNOWLEDGMENTS Gratefully acknowledge the support from National Natural Science Foundation of China (Grant No.10632100), the project of important research aspect of Chinese Academy of Sciences (KJCXZ-YW-LDI) and the Chinese National 973 Project (Grant No.2010CB731500). REFERENCES 1. Duncan J M, State of the Art: Limit Equilibrium and Finite-Element Analysis of Slopes, Journal of Geotechnical Engineering, No.22/7,577596, 1996 2. Chen Zuyu, MI Hongliang, WANG Xiaogang, A threedimensional limit equilibrium method for slope stability analysis, Chinese Journal of Geotechnical Engineering, No.23/5, 525-529, 2001 3. Zhu Dayong , QIAN qihu, Rigorous And Quasi-rigorous Limit Equilibrium Solutions of 3D Slope Stability And Application to Engineering, Chinese Journal of Rock Mechanics and Engineering, No.26/8, 1513-1528, 2007
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4. Zheng Yingren, Zhao Shangyi, Deng Chujian, et al. Development of Finite Element Limit Analysis Method and Its Applications in Geotechnical Engineering, Engineering Science, No.12/8, 39-61, 2006 5. Jing Lanru, A review of techniques advances and outstanding issues in numerical modeling for rock mechanics and rock engineering, Internati0na1 Journal of Rock Mechanics and Mining sciences, No.4O/3, 283-353,2003 6. Liu Tianping, Li Shihai, Liu Xiaoyu, A Continuum-based Discrete Element Method of Stochastic Block Shape for Analyzing Stability of Cataclastic Rock Mass Slopec, Beijing DEM08, 2008. 7. Li Shihai, Zhao Manhong, A New Numerical Method for DEM-Block and Particle Model, International Journal of Rock Mechanics and Min-ing Sciences, No.41/3, 436, 2004. 8. Liu Bingshan, The researh of Maoping landslide on the failur mechnism and the law of evolution, Doctors Dissertation institute of mechanics CAS 2007 9. Tian Zhennong, Discrete Element Method Simulation and Experimental Study of Blasting Effect on Rock Mass, Doctors Dissertation institute of mechanics CAS 2006
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ADAPTIVE DISCRETE/FINITE ELEMENT COUPLING FOR ROCK CUTTING PROCESS SIMULATIONS

Carlos Labra1, Jerzy Rojek2, Eugenio Oate1
1
International Center for Numerical Methods in Engineering, Spain

2
Institute of Fundamental Technological Research, Poland
In the last years, the Discrete Element Method (DEM) has arisen as an interesting alternative to the continuum based methods for the simulation of problems characterized by strong discontinuities. Nevertheless, the high computational cost of this technology hinders its application to practical problems. For this reason new coupling techniques are developed in order to obtain efficient numerical models [4]. The possibility of the coupling between DEM and the Finite Element Method (FEM) can be a good solution in some cases, but the definition of each domain can be predefined in the generation of the model. A new adaptive coupling technique between DEM and FEM is presented, in order to avoid the definition of the DEM domain and minimizing the computational cost. The idea is to use DEM to analyze just the region of the solid wish presents fracture or damage, whereas FEM is used in the rest of the domain. These region or sub-domain can change during the simulation process, resulting in a progressive modification of the coupling definition. This technique is applied to geomechanical problems, such as rock cutting processes [5]. In this case, the rock is modelled using DEM/FEM coupling, and the tool as rigid body or FEM, depending of the analysis required.
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INTRODUCTION The DEM based on spherical and cylindrical particles is widely recognized as a suitable tool for the modelling of geomaterials [1, 2], advantages of this method are clearly seen in modelling problems characterized by the strong discontinuities e.g. rock fracture during excavation. The main problem in the use of DEM for large simulations is the computational cost involved. In the present work, a coupling scheme of the DEM with the finite element method is presented. The requirement of predefine the sub-domains with each methods is solved using an adaptive algorithm for the definition of the DEM sub-domain. This allows the use of DEM just in the areas whit higher values of stress, where fracture can occur. DISCRETE ELEMENT FORMULATION The discrete element model assumes that material can be represented by an assembly of rigid particles interacting among themselves. The overall behaviour of the system is determined by the cohesive/frictional contact laws. The contact law can be seen as the formulation of the material model on the microscopic level. Cohesive bonds can be broken, which allows us to simulate fracture of material and its propagation. Basic formulation of the discrete element formulation using spherical or cylindrical particles was first proposed by Cundall and Strack [1]. The present work use the formulation developed in CIMNE by Rojek et al. in [3], where the translational and rotational movement is described by means of the standard equations of rigid body dynamic. M D && D = FD x & J D D = TD (1)
where xD represent the position vector of the particle, D its angular velocity, MD a diagonal matrix with the particle mass in the diagonal, JD a diagonal matrix with the particle moment of inertia, and FD and TD the resultant forces and moment about the particle central axes, respectively, considering the sum of all forces and moment applied to the particle due to external loads, contact interaction with the neighbour particles, and contact interaction with other obstacles. These equations are integrated considering the central difference scheme.
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DISCRETE/FINITE ELEMENT COUPLING SCHEME One of the main problems of DEM is the computational cost of the simulations. In a real case, a large number of particles are required, and the analysis of each contact between them, wish leads to long computational time. In order to solve the situation different solutions can be considered. The combinations of DEM with other simulation technologies, as FEM, allow an efficient to create efficient models, minimizing the computational cost, taking advantages of each method, and avoiding their weak sides. The idea is to use the DEM in the sub-domain (D) where the fracture occurs, and the FEM can be used in the other part, where the behaviour can be represented with a continuum based scheme. Finite element formulation. In the case of the finite element method, the socalled explicit dynamic formulation is used. The explicit FEM is based in the solution of discredited equations of motion written in the current configuration in the following form where MF is the mass matrix, rF the vector of nodal displacements, Fext and Fint the vectors of external loads and internals forces, respectively. Similarly to the DEM algorithm, the central difference scheme is used for the time integration of Eq.(2).
int ext M F && F = FF + FF x
(2)
Coupling Algorithm. It is assumed that the DEM and FEM can be applied in different sub-domains of the same body. The DEM and FEM sub-domains overlap each other. The common part of the sub-domains (DF) is the part where both discretization types are used with gradually varying contribution of each modelling method, similarly to the idea used by Xiao and Belytschko in [6]. The coupling of DEM and FEM sub-domains is provided by additional kinematical constraints. Interface discrete elements are constrained by the displacement field of overlapping interface finite elements. Additional kinematic relationships can be written jointly in the matrix notation as follows:
= rD N rD
(3)
where N is the matrix containing adequate shape functions. The set of equation of motion for the coupled system with the penalty scheme is
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M F 0 0 0
0 M DU 0 0
0 0 M DC 0
int ext r 0 &&F FF FF + NT k DF r 0 &&DU FDU = r 0 &&DC FDC k DF &D J F TD
(4)
where the subscript DC and DU are the constrained and unconstrained discrete elements, respectively, and kDF the vector of the discrete penalty functions.
Adaptivity of the DEM/FEM interface. In a real case, the zone wish requires the use of DEM can change during the simulation process. With the standard DEM/FEM coupling, both sub-domains are predefined during the discretization process. This requires knowing where the fracture will appear and the use of DEM even when the solid have a linear elastic behaviour. In order to make more efficient the use of the DEM during the simulation, an algorithm for the change of the sub-domains is used. The idea is start the simulation using finite elements. When some area with a stress value higher than a predefined limit state is achieved, the FEM is replaced with DEM and a new DEM/FEM interface is defined. The progressive changes of the simulation method make more efficient these of both methods.
The criteria for the change of simulation method is defined with a predefined limit stress value (*) in the finite elements, as shown Eq. (5).
>
(5)
When a change of domain occurs, the kinematic variables of the finite element should be projected into the new discrete elements, and the behaviours of both methods should be equivalents. In order to ensure the geometrical compatibility in the discrete elements used progressively during the simulation, a discretization of the full domain with cylindrical/spherical particles is generated and stored for its posterior use. The discrete elements activated in a change of domain are defined by the elements to be changed, and the particles in the new overlap sub-domain required in the coupled scheme. The particles in the new overlap region are selected using a distance function [7] based in the new boundary elements generated in the FEM sub-domain.
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SIMULATION OF ROCK CUTTING PROCESSES

The simulation of different rock cutting processes has been simulated using the adaptive discrete/finite elements coupling. The coupled model has been used in the rock subjected to fracture, while the cutting tool is discretized as a rigid body or with finite elements, depending of the analysis required.
(a) t = 0.00 s
(b) t = 0.06 s
(c) t = 0.12 s
Fig 1. Rock cutting process with a disc cutter. Evolution of coupling interface. In the Figure 1 the evolution of a rock cutting process with a disc cutter is shown. In the Figure 2, a comparison of the normal force obtained in the case of use full discrete elements in the rock, the fixed coupling scheme and the adaptive algorithm is depicted. The difference of the average value is negligible, and the computational cost involved in the adaptive coupling case 40% lower than the standard coupling scheme.
Fig 2. Comparison of normal force in rock cutting process with the coupling schemes.
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CONCLUSION
The coupling scheme using discrete and finite element methods can be an interesting approach for the simulation of fracture in geomaterials, minimizing the computational cost. The adaptively of the DEM/FEM interface can improve the efficiency in the use of both methods. The technique has been used in the simulation of rock cutting processes. The obtained results are consistent with the values obtained in a standard discrete elements simulation.
REFERENCES
1. P.A. Cundall and O.D.L. Strack. A discrete numerical method for granular assemblies, Geotechnique, 29,47-65, 1979. 2. C. Labra, J. Rojek, E. Oate, F. Zrate. Advances in discrete element modelling of underground excavations, Acta Geotechnica, 3, 317-322, 2008. 3. J. Rojek, E. Oate, F. Zrate, J. Miquel. Modelling of rock, soil and granular materials using spherical elements. Proc. of the 2nd European Conference on Computational Mechanics EC CM-2001, Cracow, Poland, 26-29 June 2001. 4. E. Oate, J. Rojek. Combination of discrete element and finite element methods for dynamic analysis of geomechanics problems. Comput. Meth. Appl. Mech. Engrg., 193, 3087-3128, 2004. 5. J. Rojek, E. Oate, H. Kargl, C. Labra, J. Akerman, U. Restner, E. Lammerr, F. Zarate. Prediction of wear of roadheader picks using numerical simulations, Geomechanics and Tunnelling, 1, 47-54, 2008. 6. S.P. Xiao, T. Belytschko. A bridging domain method for coupling continua with molecular dynamics. Comput. Meth. Appl. Mech. Eng., 193, 1645-1669, 2004. 7. R. Elias, M. Martins, A. Coutinho. Simple finite element-based computation of distance functions in unstructured grids. Int. J. Numer. Meth. Engng., 72, 1095-1110, 2007. 8. J. Rojek, E. Oate. Multiscale analysis using a coupled discrete/finite element model. Interaction and Multiscale Mechanics, 1, 131, 2007.
433
FAILURE MECHANISM ABOUT RSA UNDER EQUAL STRESS BOUNDARY CONDITIONS

Fan yongbo, Li shihai, Feng chun, Hou yuefeng
Institute of mechanics, Chinese Academy of Sciences, The key laboratory of Environmental mechanics
RSA (Rock and Soil Associate) is inhomogeneous and discontinuous, the stress distribution inside of materials is uneven while external forces are applied on them. We carried out numerical calculation with CDEM (Continuum-based Discrete Element Method) procedure, the result is that the deformation of RSA is inhomogeneous under the equal stress boundary conditions and accurately reflect the internal structure of materials, at the same time, we carried out the flexible triaxial test (it can provide the equal stress boundary conditions by flexible head and flexible base), the result of experiment is in good agreement with the numerical simulation result.
INTRODUCTION The landslide involving rock and soil Associate (abbreviation, RSA) [1] account for a large proportion of geological hazards, eighty percent of landslide is this kind in Three Gorges Reservoir Area, such as Xintan landslideHuanglashi landslide etc[2][3]. There are six RSA landslide among Seven large-scale landslide along Sichuan-Tibet Highway in Qinghai-Tibet Plateau, accounting for eighty-six percent of the total landslides[4]; The landslide involving Rock and Soil Associate has caused 20 billion yuan loss to the state, seriously affecting the national economypeople's normal life safety. Therefore, the systematic research for this type of landslide has a special theoretical and practical value. MECHANICAL RESPONSE OF MATERIALS UNDER DIFFERENT LOADING CONDITION RSA is inhomogeneous and discontinuous, under external loading, because of the differences in stiffness and strength about soil and rock, the sample will appear inhomogeneous deformation, top and bottom of the sample will be uneven, in other words, the stress state of each point is different, according to the theory of rigid loading, the stress state of each point is the same, This is not consistent with the actual situation. Triaxial compressive test machine is based on the idea of uniform loading, in other words, it is loading with equal stress boundary condition, it can study deformation and failure discipline about inhomogeneous and
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discontinuous materials. RESEARCH OF DEFORMATION CHARACTERISTICS ABOUT RSA UNDER TOTALLY FLEXIBLE BOUNDARY LOADING
SAMPLE PREPARATION
According to the standard of soil test methodGB/T50123-1999, Analysis of particles test is carried out, there are five type of particle diameter: d<0.074mm 0.074<d<0.25mm 0.25<d<0.5mm 0.5<d<1mm 1<d<2mm, physical map and the content is as illustrated in Table 1. Table 1 Range and content of particle diameter
Diameter of the soil particlesmm content% 1<d<2 24.4 0.5<d<1 26.8 0.25<d<0.5 17.9 0.074<d<0.25 22.0 d<0.074 8.9
All the samples are remodeling samples, with all the same initial conditions (including each grain groupcompaction characteristics), with the different confining pressure (00.2MPa0.3MPa0.4MPa), the same lithology (granite) the same size.
THE RESULTS OF TRIAXIAL COMPRESSIVE BOUNDARY LOADING TEST WITH FLEXIBLE
At first, we give a brief description about the triaxial stress and platen press, the triaxial stress is the contact stress between the flexible head and the sample; the platen stress is the contact stress between the rigid plate and the top of the flexible head, in other words, the platen stress is the traditional rigid contact stress, this stress cant reflect the heterogeneity of the RSA, the difference between the triaxial stress and he platen stress is clear. The following figure 1 is the curve of triaxial stress-strain.
a The curve of triaxial stress-strain (0.2MPa)
b The curve of triaxial

stress-strain(0.3MPa)
c The curve of triaxial

stress-strain(0.4MPa)
Fig. 1 The curve of triaxial stress-strain
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Table2 Bearing capacity about RSA under different confining pressure

The number of the sample RSA-1 RSA-2 RSA-3 Confining pressure Mpa 0.2 0.3 0.4 Loading KN 66.2 89.5 113.5 platen stress Mpa 0.94 1.27 1.55 triaxial stress Mpa 0.653 0.94 1.086
EQUAL STRESS BOUNDARY CONDITION LOADING BASED ON CDEM

SIMULATION MODEL
We have conducted the numerical simulation with CDEM, according to the symmetry of the model, we can take one-forth of the whole model, the numerical model is illustrated in fig. 2. the top and bottom of the model (face face)with x and y direction constraint, symmetry plane (face face) with normal constraint. Appling axial loading at the top and bottom of the model, and applying the confining pressure around the model.
clay granite
60cm
Size of granite length10cm wide10cm high20cm
15cm MECHANICAL PARAMETERS
15cm
Fig. 2 Numerical model By uniaxial compression test, we can obtain the physical and mechanical
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parameters about soil and rock, as illustrated in table 3, using Mohr-Coulomb model to have a numerical simulation. Table 3 The parameter of material
material clay granite density kg/m3 1580 2500 poisson's ratio / 0.35 0.25 Young's modulus GPa 0.015 38 Tensile strength MPa 0.003 3 Cohesion MPa 0.015 10 Internal friction angle 25 45
NUMERICAL SIMULATION
We select the top and middle of the face to monitor z-direction stress z-direction strain z-direction displacement, the monitoring points are illustrated in the fig. 3.
1 2 8 3 5 4 9 11 10 7
12
athe top of the face bthe middle of the face Fig. 3 The map of arrangement of monitoring points
ANALYSIS OF THE RESULT loading-displacement curve
0.02 0.00 -0.02 -0.04 -0.06 -0.08 -0.10 -0.12 -0.14 0.2 0.4 1 2 3 4 5 6
0.00 -0.01 -0.02 -0.03 -0.04 -0.05 -0.06

0.6 0.8 1.0 1.2
0.00 -0.03
7 8 9 10 11 12
-0.06 -0.09 -0.12 -0.15 -0.18
1 2 3 4 5 6
0.2
0.4
0.6
0.8
1.0
1.2
0.3
0.6
0.9
1.2
1.5
atop of the face0.2MPa
bmiddle of the face0.2MPa
ctop of the face0.3MPa
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0.00 -0.01 -0.02 -0.03 -0.04 -0.05 -0.06 0.2 0.4 0.6 0.8 1.0 1.2 1.4 1.6 1.8 7 8 9 10 11 12
0.00 -0.05 -0.10 -0.15 -0.20 -0.25 1 2 3 4 5 6
0.00 -0.01 -0.02 -0.03 -0.04 -0.05

1.5 1.8 2.1
7 8 9 10 11 12
0.6
0.9
1.2
-0.06
0.6
0.9
1.2
1.5
1.8
2.1
d middle of the face 0.3MPa etop of the face0.4MPa
f middle of the face 0.4MPa
Fig.4 The curve about loading-displacement under different confining pressure We can see from the fig. 4 that the vertical displacement of sample is gradually increasing with the loading increasing; the amount of sample swelling about middle and top of the face is increasing with the confining pressure is increasing, and the displacement of top face is much higher than the corresponding point in the middle face, and more, the displacement of the central measuring point is higher than the point at the edge of the sample, this is agree with the experiment result.
stress-strain curve
1.6x106 1.4x106 1.2x106 1.0x106 8.0x105 6.0x105 4.0x10
5
2.1x106 1.8x106 1.5x106 1.2x10

6
2.5x106
2.0x105 0.0 0.00 0.08 0.16 0.24
1 2 3 4 5 6 0.32
9.0x105 6.0x105 3.0x105 0.00 0.03 0.06
7 8 9 10 11 12
2.0x106 1.5x106 1.0x106 5.0x105 0.0
1 2 3 4 5 6
0.09
0.12
0.15
0.00 0.07 0.14 0.21 0.28 0.35 0.42 0.49
atop of the face0.2MPa

3.0x106 2.5x106 Pa 2.0x10
6
bmiddle of the face0.2MPa ctop of the face0.3MPa

3.2x106 2.8x106 2.4x106 2.0x106 1.2x106 8.0x105 4.0x105 0.0 1 2 3 4 5 6
3.6x106 3.2x106 2.8x106 2.4x106 2.0x106 1.6x106 1.2x106 8.0x105 4.0x105 0.00 0.05 0.10 0.15 0.20 7 8 9 10 11 12
1.5x106 1.0x106 5.0x105 0.0 0.00 0.05 0.10
7 8 9 10 11 12
1.6x106
0.15
0.20
0.00 0.08 0.16 0.24 0.32 0.40 0.48
dmiddle of the face0.3MPa etop of the face0.4MPa
fmiddle of the face0.4MPa
Fig. 5 The curve about stress-strain under different confining pressure We can see from the figure 5(a)5(b), the peak-stress of each point is different, the value of test point at the edge of sample is the lowest, about 0.4MPa, the value of test point at the middle of sample is about 0.7MPa, on the whole, the
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peak-stress of the sample is about 0.7MPa. Similarly, we can see from the figure 5(c)5(d)5(e)5(f) , the peak-stress of the sample is about 0.9MPa and 1.1MPa when confining pressure is 0.3MPa and 0.4MPa. The test point at the middle of the sample appears strain hardening, but the test point at the edge of the sample appears strain softening; The stress value at the middle of the sample is straight up, and the value of strain is zero, so it is reasonable that we study the heterogeneity of the RSA under equal stress boundary condition. All the result of numerical simulation has a good agreement with the experiment result. CONCLUSIONS By triaxial compressive test with flexible boundary loading testing machine and CDEM numerical simulation, we can obtain the following results: (1)We can study the mechanical behavior of RSA or fractured rock under flexible boundary loading testing machine providing fully flexible boundary conditions. (2)Under fully flexible boundary conditions, the top of the RSA will be inflated, but the bottom of the RSA will be depressed, this phenomenon just reflects the inhomogeneous characters of RSA. (3)The result of numerical simulation has a good agreement with laboratory experiment result. REFERENCES [1]Li Xiao, Liao Qiulin, He Jianming. In - situ Tests and Stochastic Structural Model of Rock and Soil Aggregate in the Three Gorges Reservoir Area [J]. International Journal of Rock Mechanics and Mining Sciences, 2004, 41 (3): 494. [2]Changjiang Water Resources Commission Comprehensive Survey. Exploring report of geological engineering during treatment and planning stage about Bai yian landslide in Fengjie county.1992.12 [3]Yin yueping, Zhang guiru, Chen baosun. The study of cause mechanism about loosing deposit of new Wushan county in Three Gorges Reservoir, Journal of Engineering Geology, 2000, 8(3):265-271 [4]Research about resurrection mechanism and trend forecast of landslides[PhD thesis]. Beijing: Graduate School of Chinese Academy of Sciences, 2004
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USING DEM FOR THE ASSESSMENT OF K0 IN SOILS

Daniel Barreto
Edinburgh Napier University, School of Engineering and the Built Environment
This paper explores the possibility of using DEM for gaining further understanding of the evolution of K0 in soils. In spite of the inherent approximations involved when using numerical methods, the results appear to lie within the scatter produced by experimental results. In addition, micro-scale analyses of the evolution of soil fabric demonstrate that the evolution of K0 is related to the observed macro-scale response.
INTRODUCTION The in-situ state of stress in soils is of major significance in geotechnical problems. While the vertical effective stress (v) is easily estimated from the soil profile, the horizontal stress (h) is highly dependent on depositional history. Normally, the at-rest coefficient (K0 = h /v) is used. Numerous laboratory and insitu tests can be performed to estimate the magnitude of these stresses. As pointed out by Mayne & Kulhawy (1982), numerous researchers have addressed this issue achieving varying degrees of success as many factors are involved in the experimental K0 data that cannot be quantitatively analysed. For example: different test methods, equipment and personnel, sample disturbance effects, time and aging effects, inherent anisotropy, etc. It is expected that an additional difficulty in such analysis is provided by the particulate nature of soils.
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The Distinct Element Method (DEM) was proposed by Cundall & Strack (1979) and uses and explicit finite difference approach to solve the dynamic equilibrium of individual particles. DEM has been extensively used in order to simulate laboratory testing of soils. Although some difficulties have been found possibly due to particle shape effects (i.e. Ji et al, 2009; Barreto, 2009), DEM results have been validated with experimental results on spherical particles (e.g. Cui et al 2007). In this study, a set of three-dimensional DEM simulations on assemblies of spheres were used to study the evolution of the K0 value. Consequently, the adverse effects caused by different testing methods, personnel, as well as those related to sample disturbance, time effects, etc. can be isolated. Furthermore, the effects of inherent anisotropy were quantified. STRESS HISTORY AND THE K0 COEFFICIENT
2000
Vertical effective stress (kPa) - 'v
OCR = 1
1600
Virgin loading
1200
OCR = 2
Unloading
800
OCR = 3
Re-loading
400 0
OCR = 4
0 400 800 1200 Horizontal effective stress (kPa) - 'h
Fig 1. Typical stress path for soil under K0 conditions Consider a homogeneous soil deposit with horizontal ground surface. Fig. 1 illustrates a typical stress path. The virgin loading portion is associated with sedimentation and normal consolidation. Any reduction (unloading) in the effective overburden stress caused by erosion or excavation results in over-consolidation of the soil. Clearly, during unloading the over-consolidation ratio (OCR = vmax/v)
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has a significant effect on the value of K0. If the soil is reloaded the stresses will evolve as shown in Fig. 1. Several expressions can be found in the literature to calculate the value of the K0 coefficient. Mayne & Kulhawy (1982) collected and analysed a database comprising tests from over 170 soils and extended Jakys relationship (K0 = 1 - sin) in order to estimate the at rest coefficient during virgin compression, unloading and subsequent reloading:
OCR 3 OCR K 0 1 sin OCR1sin 4 1 OCR max max
(1)
where is the angle of shearing resistance and the OCR is calculated as:
OCR
v'
max
' vcurrent
(2)
1.0 0.8 0.6 DEM 0.4 0.2 0.0 0.0 0.2 0.4 0.6 sin 0.8 1.0
K0
K0 = 1 - sin r2 = 0.39
Laboratory and in-situ measurements
Fig 2. Observed relationship between K0 and sinfor cohesionless soils during virgin compression (modified after Mayne & Kulhawy, 1982)
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The accuracy of Equation (1) can be assessed if only the data for granular materials and virgin loading is considered. Fig. 2 illustrates that the scatter of the results is significant. Note that for over-consolidated conditions the reliability of the expression reduces due to the even more limited data available. With the recent advances in computational systems a vast amount of information can be collected without major difficulty if DEM is used. Fig. 2 also shows the results of two DEM simulations presented in the following section. Clearly the numerical results lie within the scatter of the experimental data available. Therefore, the potential of using numerical methods to provide further understanding into the particle scale interactions affecting the K0 value is evident. DEM SIMULATIONS A series of simulations involving different stress histories were performed on polydisperse assemblies of spheres using periodic boundaries. The behaviours of two assemblies with different initial fabrics but identical initial solid density were evaluated. The first assembly was isotropically compressed to 50 kPa using a servo-control algorithm. The second assembly was initially compressed isotropically as the first one, but then it was pre-sheared under axi-symmetric compression before being re-consolidated back to an isotropic stress of 50 kPa. These procedures created an assembly with isotropic and anisotropic fabrics (with a bigger proportion contacts in the vertical direction), respectively. Macro-scale response. After specimen generation, both assemblies were then subjected to identical combinations of virgin loading, unloading and re-loading (while 2=3=0), as illustrated in Figure 3a. Note that unloading and re-loading cycles were simulated starting from different OCR values. Interestingly, Fig. 3a shows that the difference in the K0 value caused by having a different initial fabric is of the same order of magnitude as the difference between the isotropic specimen and the empirical relationship. Therefore, the effects of inherent anisotropy that were impossible to quantify from experiments might be responsible for a significant part of the scatter in the results available.
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2000
Vertical effective stress (kPa) - 'v
OCR = 1
0.036
Deviatoric fabric (d = 1-3)
1600 1200
OCR = 2
0.032 0.028 0.024 0.020 0.016 1 2 3 Overconsolidation ratio - OCR 4
800
OCR = 3
400 0
OCR = 4
DEM (Anisotropic) DEM (Isotropic) Empirical relationship
0 400 800 1200 Horizontal effective stress (kPa) - 'h
a)
b)
Fig 3. a) Macro-scale results for different stress histories on inherently isotropic and anisotropic fabrics and b) micro-scale response for isotropic specimen Micro-scale response. The evolution of soil fabric for these different stress histories was also monitored. As means of quantifying the evolution of soil fabric, the fabric tensor (ij) was evaluated:
ij
1 Nc
n n
k 1 i
Nc
(4)
where Nc is the number of inter-particle contacts in the assembly ni = nj are the Cartesian components of the unit contact normal between the two particles in contact. In particular the deviatoric fabric (d) defined by Thornton (2000) as the difference between the major and minor eigenvalues of the fabric tensor was calculated and it is presented in Fig. 3b for the isotropic specimen. In Fig. 3b only the over-consolidated states are presented, therefore after initial virgin loading the fabric of the specimen has increased from 0 to about 0.034 (i.e. it has become anisotropic. Then after unloading the fabric tries to become isotropic before increasing its anisotropy during re-loading. It can be observed that the
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evolution of d against OCR is somehow similar and inversely proportional to the evolution of the macro-scale response shown in Fig. 3a. CONCLUSION The results presented in this study demonstrate that the scatter available from experimental measurements of K0 can be partly explained by the evolution of soil fabric. Furthermore, it has been demonstrated that the observed macro-scale behaviour can be also explained by this evolution of fabric. The success of K0-OCR relationships is demonstrated by the success of existing geotechnical structures and extensive additional research is needed to further understand the factors affecting such relationships. This would immediately lead to the use of lower factors of safety and perhaps more economical geotechnical designs. However, the biggest challenge still remains in how to reconstruct the geological stress history of soils in-situ. REFERENCES 1. Barreto, D. Numerical and experimental investigation into the behaviour of granular materials under generalised stress states. PhD thesis, Imperial College of Science, Technology and Medicine. Univeristy of London, 2009. 2. Cui, L., O'Sullivan, C. and O'Neill, S. An analysis of the triaxial apparatus using a mixed boundary three-dimensional discrete element model, Gotechnique, 57, No. 10, 831-844, 2007. 3. Cundall, P. A. & Strack, O. D. L. A discrete numerical model for granular assemblies, Gotechnique, 29, No. 1, 47-65, 1979. 4. Ji, S., Hanes, D. M. & Shen, H. H. Comparisons of physical experiment and discrete element simulations of sheared granular materials in an annular shear cell. Mechanics of Materials, 41, No. 6, 764-776, 2009 5. Mayne, P. W. & Kulhawy, F. H. K0-OCR Relationships in Soil. Journal of the Geotechnical Engineering Division, ASCE, 108, No. 6, 851-872, 1982. 6. Thornton, C. Numerical simulations of deviatoric shear deformation of granular media, Gotechnique, 50, No. 1, 43-53, 2000.
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THEORETICAL INVESTIGATION OF REGULARITIES OF MODEL FAULT ZONE MECHANICAL RESPONSE TO LOW-AMPLITUDE DYNAMIC MECHANICAL ACTIONS
Sergey V. Astafurov, Evgeny V. Shilko, Alexandr S. Grigoriev*, Artem Yu. Panchenko*, Sergey G. Psakhie
Institute of Strength Physics and Materials Science SB RAS, Tomsk, Russia *Tomsk State University, Tomsk, Russia
Theoretical analysis of general features of fault zone mechanical response to low-amplitude dynamic mechanical actions is carried out. Results make an important contribution to development of an approach to estimation of proximity of stress state of faults and large cracks in rock massifs to critical value wherein seismogenerating unsteady slip can take place.
INTRODUCTION An important direction in mechanics is investigation of features of mechanical response of geological media. An important feature of geomedium is that its fragments are in complex stressed state. Relation of internal stresses to strength characteristics of interfacial regions (faults and cracks) appreciably defines deformation and relaxation capacity of the mechanism concerned with relative block displacement. As the shear stress at an active block boundary reaches limiting (threshold) value, its local deformation mode can change qualitatively from slow deformation (creeping) to dynamic deformation (referred to as unstable sliding).
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Note that according to modern notion, acts of dynamic block sliding are seismogenerating events those magnitude can reach 6-7 [1]. Thus, an urgent task in geomechanics is to develop methods of estimating the local stress state at active interfaces of fragments of rock massifs or the earths crust. Theoretical studies as well as experiments on prestressed rock samples and fragments of plane discontinuities in rock massifs revealed an important effect consisting in deformation response of geomedium to dynamic perturbations of stress state in form of irreversible relative displacement of blocks [1]. This allowed different authors to formulate the idea about the possibility of estimation of shear stress level in the fragments of active fault zones by measuring deformation response on testing dynamic actions. Nevertheless to transform this idea into practical approach it is necessary to have information about the character of connection between shear stress level in interfacial zone and deformation response to dynamic perturbation of local stress state. This information could be obtained in particular on the base of computer-aided simulation of fragments of block interfaces being under complex stress condition. In the present paper this study was done with use of the movable cellular automaton method (MCA) [2]. This method is a variant of particle method and over last decade successfully employed for studying the peculiarities of deformation and fracture of indurated, unconsolidated and loose media. PROBLEM STATEMENT For solving the problem posed, a two-dimensional structural model of the interface between elements of a block medium was developed in the framework of MCA method (Fig. 1). The model includes the interface itself and contiguous block fragments (hereinafter referred to as blocks). The model blocks were assumed to be monolithic, brittle and of high strength (curve 1 in Fig. 1b). The mechanical response of interfacial region featured irreversible strain accumulation and simulated the mechanical properties of a cataclasites (curve 2 in Fig. 1b). For mathematical description of elastoplastic response of the interface and of the blocks in the framework of the MCA method, the model described in [3] was used. The lower surface of the specimen was rigidly fixed while external load was applied to the upper surface (Fig. 1a). Dissipative and inertial influence of surroundings of simulated fragment of interface was modeled by applying an additional viscous force to the automata of the lateral surfaces. The initial stress state
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of the system was specified by applying an external force with normal (Fy) and tangential (Fx) components to the upper surface of the model specimen (Fig. 1a) with subsequent relaxation of the system. In the calculations, we used different values of normal force Fy, whose specific value (hereinafter referred to as y) varied in the range from 20% to 40% of the yield stress of interface material. On completion of the relaxation stage, deformation response of model interface to dynamic pulse testing loading by P- and S-waves was studied.
Fig. 1. Structure and loading pattern of the model interface (a) and response functions (b) of the automata of the blocks (1) and interfacial region (2).
Fig. 2. Dependence of force fx of resistance to the shear displacement of active (upper) block of the model interface on the value of displacement lsh. In the diagram shown, shear displacement is normalized to the interface layer thickness h. Normal stress (y) value is 20% of the yield stress of interface material.
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In the work, we considered different shear stress levels at the interface for which fx=Fx/Fxmax, where Fxmax is the limiting (maximum) shear resistance force at considered value of Fy. Note that shear resistance curve has a profile typical of interfaces in rock massif fragments and is characterized by three main stages: a quasielastic stage (Fig. 2, stage I), a quasiplastic stage (stage II) and a stage beyond the ultimate strength (stage III). Testing pulse dynamic action on the sample being under loading with forces Fx and Fy was carried out by instantaneous (for T=310-5 s) assigning a sinusoidally changing velocity Vy=-VAsin(2t/T) in Ydirection (compressive P-wave) or Vx=VAsin(2t/T) in X-direction (S-wave) to the cellular automata of the upper surface (VA=0.001 m/s in both cases). DISCUSSION OF SIMULATION RESULTS It is common knowledge that even small dynamic exposure gives rise to irreversible relative block displacements if shear stress level (fx) at the interface exceeds some threshold value. This threshold is below the point of formal transition from quasielastic to quasiplastic response stage. The observed effect is connected with inhomogeneous distribution of stresses in interface region that is a consequence of inhomogeneous distribution of mechanical properties. Stress state of some areas of the interface can be beyond the yield point, even though integral value of applied shear stress is relatively small. This leads to accumulation of irreversible deformation in these areas during elastic wave propagation. Simulation results showed that the path length lx of the upper block along the X direction varies over order of magnitude with the shear stress level fx, and this variation has a clearly defined nonlinear character (the value of initiated displacement lx is presented in dimensionless form =lx/h obtained by normalization of lx to interface thickness h). Fig. 3a shows the curves (fx) for the case of pulse loading by P-wave for different values of normal stress y. These curves have three main regions. In the first region, which is far from the point of formal transition to quasiplastic response of the interface (stage I in Fig. 2), value of dynamically initiated displacements is nearly constant. In the second region (near the formal point separating stages I and II in Fig. 2) increases greatly. In the third stage (in the range of quasiplastic response of the interface) the value of initiated displacements becomes stable. Thus, as the shear stress level approaches the formal boundary of
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quasielastic-to-quasiplastic response transition, qualitative variations occur in deformation response of the interface to dynamic loading. Revealed effect is important for formulation of the approach to diagnostics of stress state of block interfaces in block-structured geomedium.
Fig. 3. Reduced pulse-initiated shear displacement of the upper block versus the shear stress level fx (a - compressive P-wave loading; b - S-wave loading). Value of normal stress y amounts to 20% (curve 1) and 40% (curve 2) of the yield stress of interface material. Vertical dashed line symbolically separates stages of quasielastic and quasiplastic response of studied interface. Note that character of interface deformation response defines to a great extent not only by shear stress level fx, but by applied normal load Fy and by type of incident wave as well. Comparing of curves 1 and 2 (Fig. 3 a) obtained for different values of normal stress y shows that under large normal load the region of great increase of initiated shear displacement extends far in the stage of quasiplastic interface response. Effective slope of this region therewith decreases nearly proportional to increase of y. (see curves 1 and 2 in Fig. 3a). Hence character of change of block boundary deformation response to testing pulse actions by compressive P-waves with shear stress level is appreciably defined by normal stress value. At the same time, pulse testing actions with use of elastic S-waves looks more promising. Fig. 3 b shows curves of deformation response of the model block boundary to dynamic exposure to S-waves at two values of applied normal stress y. It is seen that dependencies (fx) at different y are close to each other. The
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region of great increase of is strongly pronounced in all cases, and its completion is associated with the point of formal transition from quasielastic (I) to quasiplastic (II) response stage. Hence characteristics of interface shear deformation response to dynamic exposure to S-waves insignificantly depend on value of normal stress y (at least within the range of moderate values of y). CONCLUSIONS Simulation results allowed authors to propose the way to development of an approach to diagnostics of shear stress level at sections of active faults of structural blocks in rock massif. The approach could be based on long-time monitoring of dynamics of natural and man-caused displacements in studied part of active block boundary. It is shown that both theoretical and experimental study of deformation response of real fragments of fault zones to testing pulse dynamic exposure could be carried out with use of local sources of pulse perturbations of stress state, which generate mainly S-waves. In that case obtained data about interface deformation response could be interpreted the most unambiguously and will reliably characterize the shear stress level, i.e. the proximity of shear stress at the interface to the current value of stress corresponding to beginning of the stage of macroscopic irreversible deformation. ACKNOWLEDGEMENTS The investigation has been carried out at financial support of the RFBR Grant No. 09-05-00968-, RAS Presidium Project No.11.2, Grant of the President of Russian Federation (MK-130.2010.5) and Russian Science Support Foundation. REFERENCES 1. E. Shilko et al., On the possibility of shear stress estimation at interfaces of block media, Phys. Mesomech, 13, No. 1-2., 25-31, 2010. 2. S. Psakhie et al. Movable cellular automata method for simulating materials with mesostructure, Theor. Appl. Fract. Mech., 37, No.1-3, 311-334, 2001. 3. E. Shilko et al., An approach to modeling of elastic-plastic continuum within the framework of discrete element approach, Proc. of APM 2009, 587-594, 2009.
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THE USE OF DISCRETE ELEMENT METHODS ON THE DYNAMIC ANALYSIS OF MULTI-DRUM ANCIENT STRUCTURES
Loizos Papaloizou, Petros Komodromos
University of Cyprus, Department of Civil and Environmental Engineering
The seismic behaviour of ancient monumental structures with monolithic or multi-drum classical columns and colonnade systems in two rows is investigated. In particular, the Discrete Element Method (DEM) is utilized in the study of ancient columns under strong ground excitations, by simulating the individual rock blocks as distinct bodies. A specialized software application is developed, using a modern object-oriented programming language, in order to enable the effective simulation of multi-drum columns and colonnades under harmonic and earthquake excitations.
INTRODUCTION Strong earthquakes are common causes of destruction of ancient monuments, such as classical columns and colonnades. Ancient classical columns of great archaeological significance can be abundantly found in high seismicity areas in Eastern Mediterranean. Multi-drum columns are constructed of stone blocks that are placed on top of each other, usually without connecting material between the individual blocks. The seismic behaviour of these structures exhibits complicated rocking and sliding phenomena between the individual blocks of the structure that very rarely appear in modern structures.
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In ancient Greece the temples formed the most important class of buildings erected during that era and can be classified into three "Orders of Architecture", the Doric, Ionic and Corinthian order. An "order" in Greek architecture consists of the column, including the base and the capital, and the entablature (Fig. 1). The entablature is divided into the architrave (lower part), the frieze (middle part) and the cornice (upper part). The differences among these three orders refer on the dimensions, proportions, mouldings and decorations of the various parts.
Cornice Entablature Frieze Architrave Capital
Shaft Column
Fig. 1: Architecture of a typical classical monument. Today, the remains of most of these temples are often limited to series of columns with an entablature or only an architrave, and in some cases only standalone columns. The investigation of the seismic behaviour of such monuments is scientifically interesting, as it involves complicated rocking and sliding responses of the individual rock blocks. The understanding of the seismic behaviour of these structures contributes to the rational assessment of efforts for their structural rehabilitation and may also reveal some information about past earthquakes that had struck the respective region. Ancient monuments, compared to modern structures,
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have been exposed to large numbers of strong seismic events throughout the many centuries of their life spans. Those that survived have successfully withstood a natural seismic testing that lasted for several centuries. Thus, it is important to understand the mechanisms that enabled them to avoid structural collapse and destruction during strong earthquakes. Since analytical study of such multi-block structures under strong earthquake excitations is practically difficult, if not impossible for large numbers of blocks, while laboratory tests are very difficult and costly, numerical methods can be used to simulate their seismic response. very extensive review of the literature on the usage of numerical methods for the analysis of monuments until 1993 was published by Beskos (1993/94) [1]. The dynamic behaviour of infinitely rigid bodies during horizontal excitations was studied by Housner (1963) [2], while, later on, other researchers [3]-[7] investigated further, both analytically and experimentally, the required conditions to overturn rigid bodies. Such structures can be simulated utilizing the Discrete Element Methods (DEM), which have been specifically developed for systems with distinct bodies that can move freely in space and interact with each other with contact forces through an automatic and efficient recognition of contacts. Research efforts to use the DEM in the simulation of ancient structures have already shown promising results, motivating further utilization of this method. Recent research work based on commercial DEM software applications [3,8], demonstrated that the DEM can be reliably used for the analysis of such structures, although they reported a sensitivity of the response to small perturbations of the characteristics of the structure or the excitation. However, similar sensitivity has also been observed in experiments with classical columns [9]. Hence, it is important to perform large numbers of simulations with varying earthquake characteristics and design parameters to properly assess and interpret the simulation results. A custom-made DEM software has been specifically designed and implemented to enable efficient performance of large numbers of numerical simulations with varying parameters, modelling these structures with independent distinct bodies, as they are constructed in practice. Such simulations allow us to assess the influence of different earthquake characteristics as well as the various mechanical and geometrical parameters of these structures on their seismic responses.
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NUMERICAL ANALYSIS In ancient Greek temples the internal columns supported an upper row of smaller columns carrying the timber roof, whose remains can be seen today in several ancient Greek monuments, such as the temple of Aphaia in Aegina.
T=35.62 sec
T=36.37 sec
T=37.07 sec
T=37.05 sec
Fig. 2: Mexico City Earthquake (scaled 1.5 Times). Fig. 2 and Fig 3. show snapshots of the response of such systems for the Athens and the Mexico City Earthquakes, respectively. The results show that the frequency content of the ground motion affects significantly the response. The displacements of the upper level columns in respect to the displacements of the lower level column are affected by the frequency content of the excitation. The maximum acceleration that is required to overturn the system of columns increases as the excitation frequency decreases. For the Mexico City earthquake, which has low predominant frequencies, the upper level columns overturn. On the other hand, for the Athens Earthquake,
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which has higher predominant frequencies, and for a much larger maximum acceleration the upper level columns are not as much affected.
T=4.475 sec
T=5..225 sec
T=6.850 sec
T=12.20 sec
Fig. 3: Athens Earthquake (scaled 9 Times). CONCLUSION A major contribution of this research work is the development of a flexible object-oriented software that is specifically developed for the numerical investigation of the response of multi-drum columns and colonnades under harmonic and earthquake ground excitations. The developed application is based on the DEM, utilizing contact detection algorithms, object-oriented design and programming, as well as Design Patterns to address effectively the specific problem, while maintaining the necessary flexibility and extensibility of the program. REFERENCES 1. D. Beskos, Use of finite and boundary elements in the analysis of monuments and special structures, Association of Civil Engineers of Greece, 217, 1993.
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2. G.W Housner, The behavior of inverted pendulum structures during earthquakes, Bulletin of seismological Society of America, 53, 403-417, 1963. 3. I. Psycharis, J. Lemos, D. Papastamatiou, C. Zambas and C. Papantonopoulos, Numerical study of the seismic behaviour of a part of the Parthenon Pronaos, Earthquake Engineering & Structural Dynamics, 32, 2063-2084, 2003. 4. A. Pompei, A. Scalia, M.A. Sumbatyan, Dynamics of Rigid Block due to Horizontal Ground Motion, Engineering Mechanics, 124, 713-717, 1998. 5. N. Makris and J. Zhang, Rocking response of anchored blocks under pulsetype motions, Engineering Mechanics, 127, 484-493, 2001. 6. G.C. Manos, M. Demosthenous, V. Kourtides, A. Hatzigeorgiou, Dynamic and earthquake behavior of models of ancient columns and colonnades with or without energy absorbtions systems, Proceedings of Second Greek National Conference on Earthquake Engineering and Seismology, 1, 257-276, 2001. 7. P. Komodromos, L. Papaloizou, P. Polycarpou, Simulation of the response of ancient columns under harmonic and earthquake excitations, Engineering Structures, 30(8), 2154-2164, 2008. 8. C. Papantonopoulos, I. Psycharis, D. Papastamatiou, J. Lemos, H. Mouzakis, Numerical prediction of the earthquake response of classical columns using the distinct element method, Earthquake Engineering and Structural Dynamics, 31, 1699-1717, 2002. 9. H. Mouzakis, I. Psycharis, D. Papastamatiou, P. Carydis, C. Papantonopoulos, C. Zambas, Experimental investigation of the earthquake response of a model of a marble classical column, Earthquake Engineering and Structural Dynamics, 31, 1681-1698, 2002. 10. P. Komodromos, L. Papaloizou, P. Polycarpou, Simulation of the response of ancient columns under harmonic and earthquake excitations, Engineering Structures, 30(8), 2154-2164, 2008.
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SIMULATING P-WAVE PROPAGATION IN DEM

G. Marketos
Currently part of Imperial College London, Department of Civil and Environmental Engineering Formerly part of the National Oceanography Centre, Southampton, NSRD Geology and Geophysics Research Group
The Results from a Discrete Element Method simulation of wave propagation through a dry pack of frictionless spheres are presented here. Even though damping was suppressed, velocity dispersion and apparent attenuation of the input signal were observed. In order to clarify the reasons behind this the displacement time histories of the individual grains will be shown. The grain-scale mechanism responsible for this phenomenon will then be discussed.
INTRODUCTION The propagation of seismic waves is becoming increasingly important for a number of applications, ranging from hydrocarbons exploration in geophysics to site investigations in geotechnics. In addition to its speed, the values of attenuation (damping) of the propagated wave can be used as a second parameter to better constrain the geophysical inversion problem. However, the highly frequencydependent wave attenuation mechanisms in granular materials are poorly understood, causing problems in the interpretation of field (low-frequency) or ultrasonic (high-frequency) laboratory data. Discrete Element Method (DEM) simulations have been successfully used in the past for studying wave propagation through granular packs (e.g. Mouraille and Luding, 2005 and Makse et al, 2004) as they can allow for the connection of grain-scale processes to particular aspects of the
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observed macroscopic response. Detailed results from a DEM simulation will be presented here with the aim of clarifying aspects related to attenuation and damping in granular packs. THE SIMULATION The simulation presented here was conducted using the commercial code PFC3D and forms part of a wider study into wave propagation through sands. The granular sample used contained 8943 spheres with radii uniformly distributed between 1 and 2 mm. The interactions between spheres were modelled by linear springs of a stiffness of 4x106N/m in both the normal and shear directions. In the simulation presented here the frictional coefficient of the grains was set to zero and all damping was removed. There were therefore no frictional dissipation and no energy losses due to damping. The observed response could therefore be directly linked to the granular nature of the material.
Fig 1. The input velocity at the top (excited) wall. A compressional signal was propagated through the sample by moving the top rigid confining wall. The velocity of the excited wall was set as a half sinusoid cycle after which the wall was kept stationary (see Fig. 1). The disturbance thus induced travelled through the sample as layers of grains were sequentially set into
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motion around their equilibrium position. After some time the disturbance reached the stationary, bottom receiving wall, and was measured as a perturbation around the equilibrium stress value. The stress histories for the exciting and receiving walls are plotted in Figure 2.
Fig 2. The stress time histories for the exciting (top) and receiving (bottom) wall. One can observe here that the movement of the top wall induced a stress pulse immediately at the excited wall, as this was forced to move into the granular material. The bottom wall was initially unaffected by this. The first signs of the disturbance were picked up after 0.080 ms, while the peak stress was registered after 0.145 ms. One would be tempted to extract velocities for the propagating disturbance; as the sample height was 6.02 cm these can be calculated as 753 m/s for first-break of the signal and 439 m/s from peak to peak. The difference between the two velocity values above is striking- a commonly used approach is to assume that the granular medium is linear and compute the velocities (and attenuations) for each individual frequency contained in the input signal. The value of the wave velocity thus computed will be highly frequencydependent. High levels of this so-called velocity dispersion are commonly assumed in geophysics to be linked to high levels of attenuation of the propagating
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waves. This leads to a paradox here, as there is no damping and no inter-grain friction in the simulation, and so one would expect no attenuation. The reason for this apparent attenuation and the observed widening of the transmitted stress pulse must therefore be sought elsewhere. Individual grains will be probed for displacement with the aim of clarifying the picture. GRAIN DISPLACEMENTS As one can observe in Figure 3 the displacement of grains that were contacting the top wall (where the perturbation was applied) were initially very similar. If the grains were rigidly attached to the wall there would have been zero relative displacement between them. However, the rapid downwards movement of the wall induced the grains to move initially into it. This caused the rapid stress increase observed in Figure 2. Some displaced into the wall more than others; the difference in the amplitudes must be related to the resistance to movement offered by the granular pack in the vicinity of the top grains (combined with the effect of differences in the mass of the grains). However as seen in Figure 3 the initial shapes of the time-displacement curves were very similar, reaching the peak at similar times and so, initially containing similar frequencies.
Fig 3. The displacement time histories of 8 grains that are in contact with the top wall. Note that the displacement of the moving top wall has been subtracted.
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Figure 3 demonstrates how the first layer of grains was excited. As discussed by Marketos and Bolton (2010) the presence of the top wall disrupts the granular structure in its vicinity. The displacement of individual grains for layers below will quickly become less orderly as the packing moves to a more random one and the pathways by which the excitation travels to them will vary. In addition two or more different paths by which the excitation travels through the sample might converge on a single grain. The displacement of the grain will be then given by the superposition of the displacement time histories transmitted to it. As there is no reason to expect that the arrival times through two different paths to be the same the effect of superposing a number of pulses centred at different times is to create broader pulses. This can be nicely observed in Figure 4 below, which plots the time histories for displacements of 8 randomly selected grains that are in contact with the bottom wall.
Fig 4. The displacement time histories of 8 grains that are in contact with the bottom, stationary wall. The broadening of the displacement pulses in turn manifests itself as a broadening in the stress signal picked up at the bottom receiving wall. As there was no frictional dissipation and no damping in the simulation presented here the results clearly show that there is another mechanism by which frequency dispersion can
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be created inside a granular sample. This is due to the fact that there are a large number of pathways through which a signal can be transferred through a granular sample. The difference between the peak to peak and first break velocities can also be explained now. The time at which first break occurs is governed by the shortest distance by which the disturbance can propagate through the granular pack. This will most probably coincide with an efficient pathway for carrying stress (a strong-force chain). On the other hand the peak of the received signal corresponds to the point in time when the largest number of transmitted pulses reaches the receiving wall. This can then be said to relate to the most probable length of pathway available to the propagating wave. ACKNOWLEDGMENTS This work was funded by the Natural Environment Research Council through the Oceans 2025 Theme 5.4 (Fluid flow) project. Support from Dr Angus Best and Jeremy Sothcott is gratefully acknowledged. REFERENCES 1. H.A. Makse, N. Gland, D.L. Johnson, L. Schwartz, Granular packings: Nonlinear elasticity, sound propagation, and collective relaxation dynamics, Physical Review E, 70, 061302, 2004. 2. G. Marketos, M.D. Bolton, Flat boundaries and their effect on sand testing, Int. Journal for Numerical and Analytical Methods in Geomechanics, 34, 821837, 2010. 3. O. Mouraille, S. Luding, Sound propagation in dense, frictional granular materials, Proceedings of the 5th International Conference on Micromechanics of Granular Media, Powders and Grains, Stuttgart, 319-322, 2005.
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8 OTHER APPLICATIONS
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A CASE STUDY OF IMPACT ON GLASS USING THE COMBINED FINITE-DISCRETE ELEMENT METHOD
Xudong Chen, Andrew HC Chan and Jian Yang
Glass is being widely used as structural elements due to the appealing feature in both architectural and functional aspects. In order to investigate how glass fractures into pieces under impact and the subsequent interactions between fragments, a new numerical analysis method called the combined finite-discrete element method (FEM/DEM) was employed in this paper. The corresponding 2D FEM/DEM program Y was used to analyse the behaviour of glass under impact. Studies were performed through numerical example and discussion. Numerical results were presented to demonstrate the applicability of the Y program in the analysis of glass fracture analysis.
INTRODUCTION Due to the appealing aesthetic appearance and transparency, increasing glass applications have emerged in civil engineering in structural use. One example is the Grand Canyon Skywalk in Arizona, the United States. The glass observation deck of the Skywalk lets tourists gaze deep into the abyss without any barriers. Another case of glass structures is the Sears Tower Glass Platform. With its four 10 foot by 10 foot compartments protruding 4.3 feet from the building's 103rd floor observation room, the sky balcony provides a completely transparent space to generate the sensation of hovering over Chicago.
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As can be observed from the above cases, glass has served the role of structural elements which was usually the task of steel and concrete. This new application requires accurate analysis of the behaviour of glass structures as well as their components under both static and dynamic loading. Since the use of static analysis method is relatively well-developed [1,2], the main concern from engineers is dynamic performance, mainly due to the brittle nature of glass [3]. For these glass structures high in the sky, one of the threats will be the hit caused by windborne debris, which should be analysed with nonlinear dynamic behaviour. The combined finitediscrete element method (FEM/DEM) is a newly developed numerical method aiming at investigating failure, fracture and fragmentation in solids. This method combines the advantages of both finite element method and discrete element method. Finite elements are meshed into the discrete particles to obtain more accurate results. Discretised contact solutions are used for both contact detection and contact interaction. Many other rationales of FEM/DEM can be found in the book by Munjiza [4]. This is the first time that FEM/DEM is applied in the field of computational analysis of glass impact mechanics. The aim of this paper is to study the impact resistance and breakage behaviour of monolithic glass under hard body impact through examples. Some significant aspects of FEM/DEM will be illustrated in the numerical results and discussion section. NUMERICAL STUDIES Considering the case that a monolithic glass beam of 2m long 0.02m thick with its two ends installed in rigid channels at both sides is impacted by a steel projectile at the velocity of 60.85m/s. The beam is meshed with a relatively fine mesh (1600 discrete elements in total), and there is no friction between the ends of the glass beam and the surfaces of the channels.
Fig 1. The configuration of the glass beam system
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Material properties are given as: Glass Density Youngs Modulus Shear Modulus Poissons Ratio 2500kg/m3 70GPa 30GPa 0.2 Steel 7800kg/m3 200GPa 76.9GPa 0.3
Table 1. Material properties of glass and steel The transient responses of the beam were plotted by the M, which is a postprocessing tool of FEM/DEM program Y. Some representative diagrams are selected to show the deflection and damage of the beam as follows:
a. t = 1ms
b. t = 3ms Fig 2. Deflection and damage of glass beam during impact It can be observed that at the beginning, the beam experienced a small amount of local bending due to the dynamic impact of the projectile (Fig 2a). With the elapsing of time, deflection waves were propagated from middle to the two ends and cracks developed on and inside the surface of the beam (Fig 2b). The following two figures showed the fracture of the beam at the impact point at 1ms and 3ms, respectively. The cracks on and inside the beam surface can easily be observed (Fig 3a and 3b). According to figure 3, crack at t=3ms is less se-
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vere than that at t=1ms. This should be attributed to the repeated deformation of the beam and the cracks were made open and close again and again.
a. t = 1ms
b. t = 3ms
Fig 3. The cracks at the impact point The change of total kinetic energy of the projectile and glass beam was plotted versus the time as:
Total Kinetic Energy(J)
30000 25000 20000 15000 10000 5000 0 0 0.01 0.02 Time(s) 0.03
Fig 4. The total kinetic energy versus time According to Fig. 4, the total kinetic energy decreased with the increase of time in general. At the very beginning, only the projectile contributes to the total kinetic energy as the beam is at rest. As time elapses, interaction occurred between the projectile and the beam, which transferred the kinetic energy of the projectile
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to the beam with the majority being absorbed by the fracture of beam and the total kinetic energy decreased dramatically. Finally, the total kinetic energy was kept in a constant level with some acceptable oscillations, which represents the absorption and release of energy due to the oscillating deflection of the glass beam. CONCLUSIONS AND PROSPECTS A numerical example of glass beam under impact is presented in the proceeding section. Numerical results were discussed and demonstrated that the combined finite-discrete element method program Y is applicable for analysing the glass impact mechanics. The method for analysing two-dimensional monolithic glass beam can be extended to multilayer and three-dimensional glass plate in the future. ACKNOWLEDGMENTS We would like to thank Professor Ante Munjiza (Queen Mary, University of London) provide us the FEM/DEM program Y, both 2D and 3D. The funding provided by the University of Birmingham and China Scholarship Council which enabled the research work to be carried out is gratefully acknowledged. REFERENCES 1. A. Darkov, Structural Mechanics, Mir Publishers, 1979. 2. S. Timoshenko, S. Prokop, Theory of Plates and Shells, McGraw-Hill, 1959. 3. T.L. Anderson, Fracture Mechanics: Fundamentals and Applications, CRC Press, 2000 4. A. Munjiza, The Combined Finite-Discrete Element Method, John Wiley & Sons, 2004
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DEM MODELLING OF PARTICLE FLOW IN A TURBULA MIXER

M Marigoa,b, D L Cairnsa, M Daviesa, A Ingramb, E H Stitta
a b
Johnson Matthey Technology Centre
University of Birmingham, Chemical Engineering
The three-dimensional motion of particles in a Turbula mixer was calculated using discrete element modelling (DEM). Multiple-Positron Emission Particle Tracking (PEPT) was used to determine the movement of the Turbula mixer to set-up the numerical model. The measured movement was mathematically reconstructed and directly imported into EDEM so that the same movement is applied to the modelled vessel. Good qualitative agreements have been found between EDEM mixing simulations and experimental data from Sommier et al. (2001). In particular initial studies on the mixing mechanisms have been carried out.
INTRODUCTION Many industrial operations involve solid mixing in the absence of any liquid. These processes are fundamental and often critical in a wide range of industries such as food, pharmaceutical and chemical. The Turbula mixer, shown in Fig 1, is a laboratory scale mixer used in the development or testing of new products. The Turbula mixer T2F has a capacity of 2 L and can hold almost any form of container. The rotational speed can be varied from 22 to 100 rpm. The mixing vessel, located in the mixer chamber, is subjected
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to intensive, periodically pulsating movements, which simulate the pattern of agitation achieved by manual shaking (Sommier et al., 2001). In addition to the traditional principal motions of rotation and translation there is a third fundamental motion of inversion based on the Schatz inversion principle. This inversion subjects the contents of the mixing container to two alternating, rhythmic pulsating motions.
Fig 1: Turbula T2F shaker-mixer (W.A. Bachofen, Basel, Swizterland). In this work, the mixing rate of particles with monomodal and bimodal size distributions was quantified using a segregation index. Magnetic resonance imaging (MRI) experiments (Sommier et al., 2001) revealed that segregation occurs whenever a size difference between particles is present. Moreover, the lower the rotation speed, the more segregated the final state was. In this work a first attempt to model the motion of particles in the mixer has been carried out using DEM. The results are compared with those of Sommier et al. (2001). NUMERICAL MODEL DEM The DEM used in this work is a commercially available package provided by DEM-Solutions (EDEM version 2.0) and it is based on the algorithm developed by Cundall and Strack in 1979. In this work the Hertz Mindlin (no slip) contact model provided in the EDEM package is employed. This is based upon the work of Mindlin (1949). The Multiple-Positron Emission Particle Tracking technique has been used to study the rotational and translational motions of the Turbula mixer. Three ion exchange resin particles of different intensities were attached to three locations on the Turbula shaft and their locations were followed over time. By knowing the position of these three points the movement of the Turbula has been
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mathematically reconstructed and imported into the EDEM simulations. A cylindrical vessel with diameter 45 mm and length 80 mm was filled with spherical particles (fill level 50%) and the movement of the vessel simulated at different speeds, from 23 up to 69 rpm. In this work a diameter ratio of 1.4 has been used. Fig 2(a) shows the initial loading pattern, the colours represent the 2 types of particles (red for 2 mm diameter and blue for 1.4 mm diameter particles). Fig 2(b) shows a slice through the bed following 15 rotations at 23 rpm; a core of small particles is apparent.
(a) (b)
Fig 2: (a) Initial loading pattern and (b) section through bed after 15 rotations for bidisperse simulations at 23rpm and R=1.4. RESULTS AND DISCUSSION The degree of mixing, and the time needed to achieve an acceptable mixing, can be predicted by simulations. In this work a segregation parameter, proposed in Stambaugh et al. (2004), is employed. The segregation index S is defined as:
S'
C AA C BB C AA C AB C BB C AB
(1)
where Cij is the total number of contact between particles of type i and particles of type j (with i and j equal to A or B). Sommier et al. (2001) observed that segregation in the Turbula increases when the particle diameter ratio differs from 1. It was also showed that the segregation index decreases when the rotational speed increases but that at the highest speeds the system remains segregated.
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In Fig 3.a the segregation index from (Sommier et al., 2001) is reported as function of rotation speed in the case when R=2.8. In Fig 3.b the steady state segregation index, calculated by DEM simulation, for R=1.4 and after 15 rotations, is reported as a function of rotation speed. Good qualitative agreements can be observed between the experimental results and the DEM simulations. The increase of rotational speed leads to an improvement in the quality of mixing.
S e g r e g a tio n in d e x S '
2 1.8 1.6 1.4 1.2 1 0.8 0.6 -5 5 15 25 35 45 55
R=1.4
65
75
a)
Rotational speed (rpm)
b)
Fig 3: Segregation index in function of rotation speed. a) Experiments from [Sommier et al., 2001]. b) DEM simulations, value after 15 rotations. Simulations with monosized particles have also been carried out in order to investigate the mixing mechanisms. The segregation index S for various rotational speeds reaches the asymptotic value corresponding to random mixing S ' =1. However the number of rotations necessary to achieve this value changes with rotation speed. Each curve has been fitted with an exponential law such as: S 'fit S Ae N R / N mix (2)
Where NR is the actual number of rotations, Nmix is the characteristic number of rotations and the asymptotic S defines the lower value for the segregation index that in case of random mixing equals 1. By knowing the period of rotation at each rotational speed the characteristic mixing time can be estimated. Both values are reported in Fig 4.
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Fig 4. Characteristic number of rotations and time as function of rotational speed.

CONCLUSIONS
A first attempt of discrete element modelling of the three-dimensional motion of particles in a Turbula mixer was carried out by EDEM. The complex motion of the Turbula mixer has been measured using Multiple Positron Emission Particle Tracking (Multiple-PEPT) and it has been imported in the EDEM model. The system has been studied under different conditions for non-cohesive particles. Segregation due to particle size ratio has been shown. Good qualitative agreements have been found between DEM simulations and experimental data from Sommier et al., (2001). The effect of rotational speed on mixing for monosized particles has been investigated in terms of characteristic number of rotations, mixing time and also dispersion coefficients. Axial and transverse dispersion coefficients have been defined; in particular the minimum axial coefficient of dispersion, at 46 rpm, corresponds to the maximum characteristic number of rotations. The nonmonotonic change in mixing efficiency with rotational speed might imply a change of the bed behaviour. More investigations, not reported here, have been carried out using PEPT in mixing studies on mono-sized glass beads in order to validate the simulations. In particular, the PEPT experimental results have confirmed the trends of the coefficients of dispersion obtained from the DEM simulations.
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ACKNOWLEDGEMENTS
MM would like to acknowledge the EU for financial support through the Framework 6 Marie Curie Action "NEWGROWTH", contract number MEST-CT2005-020724, Johnson Matthey Plc for funding and supporting this research.
REFERENCES
1. R.D. Mindlin, Compliance of elastic bodies in contact, Journal of Applied Mechanics, Volume 71, No.3, 259-268, 1949. 2. N. Sommier, P. Porion, P. Evesque, B. Leclerc, P. Tchoreloff, G. Couarraze, Magnetic resonance imaging investigation of the mixing-segregation process in a pharmaceutical blender, International Journal of Pharmaceutics, Volume 222, No.2, 243-258, 2001. 3. J. Stambaugh, Z. Smith, E. Ott, and W. Losert, Segregation in a monolayer of magnetic spheres, Phys. Rev., E 70, 031304, 2004.
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MODELING BREAKAGE ENVIRONMENT IN TUMBLING MILLS USING DEM AND ANALYZING THE OUTPUTS
N. S. Weerasekaraa, M. S. Powella, S. Coleb, J. Favierb
a
University of Queensland, JKMRC, 40 Isles Road, Indooroopilly, QLD 4068, Australia. b DEM Solutions Ltd., 49 Queen Street, Edinburgh EH2 3NH, UK Corresponding Author Email: n.weerasekara@uq.edu.au
The present state of the art Discrete Element Method (DEM) is quite capable of predicting the mechanical environment in full 3D for a given mill configuration. A full 3D simulation providing a comprehensive prediction of bulk particle dynamics in a grinding mill is now possible using the latest commercial DEM software tools. These DEM codes provide a range of information of individual particle impact histories, such as kinetic energy at the time of collision, normal and tangential collision energy, contact angle, particle velocities, force, impulse, etc. The ability to run a large number of DEM simulations and data analysis provides the opportunity to resolve the breakage environment in mills. This provides breakage models such as the Unified Comminution Model (UCM) with a full range of information needed on the mill mechanical environment for a wide range of mill operating conditions and information need for liner wear modelling. Furthermore, this information provides an insight into the mechanics and drivers of milling that in itself can be used in improving mill design and operation. Therefore, in this work an attempt is being made to explore the breakage environment in mills using DEM techniques, and how these techniques may be expanded to provide even more useful data for mill and comminution device modelling.
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INTRODUCTION The motion of grinding media and the energy distribution have a profound influence on the comminution of particles in tumbling mills. The potential of the discrete element method (DEM) allows numerical simulation of the dynamic interaction of the mill charge media with the mill liners and lifters. It allows calculation of the trajectories of individual entities in the entire grinding charge as they move in the mill and collide with one another and the mill. These impact energy and force distributions can be used to calculate the grinding rate in mills, as presented by some workers in this area Mishra (1994), Cleary (2001), Datta and Rajamani (2002), Herbst (2004), Powell (2006), Powell, Govender and McBride (2008). The calculations are based on the fundamental laws of motion and can take into account the geometry, dimensions, and material properties of each individual steel ball, chunk of rock, mill liner, and the lifters (Mishra 2003). A DEM simulation of a typical mill section with several thousands of particles generates massive amounts of output data, running to several Gigabits. Even with good sampling techniques (Cleary 2001) this generates files of close to a Gigabyte. Although some DEM software provides a GUI based data analysis environment, their techniques either require a considerable amount of processing power or are not capable of delivering the required inputs for the UCM kind of modelling or liner wear modelling. This work brings together the power of DEM and an ability to analysis the outputs to explore and expand the understanding of the breakage environment in mills and wear of liners. SAG AND BALL MILL DEM SIMULATIONS In this study several aspects of a SAG mill were investigated using EDEMTM. A pilot scale SAG mill operating at 75% critical speed and drawing 9.94 kW of power is used as the BaseCase for the DEM simulation campaign. This BaseCase mill has an internal diameter of 1696 mm, length of 575 mm and has 11 lifters with 50x50 mm cross-section. Three different particle size distribution were used along with varying only the internal diameter from 1.6 m to 6 m while increasing the cross sectional dimensions of the lifters in proportion to the change in
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mill diameter and keeping the other conditions the same. This gives a matrix of SAG mill DEM simulations An industrial scale ball mill was simulated at two sizes, 4m and 8m diameter, with all other parameters remaining unchanged. Real mill feed size distributions, ball size distributions, and liner profiles were utilised. Taking advantage of the symmetry along the mill and utilising average liner dimensions, a short slice of the mill can be simulated to make the simulation time feasible. The results are then multiplied by the ratio of the slice length to total mill length to give the total collisions for the full size mill. This dramatically reduces the number of balls that require simulation, from 4.5 million to 110 thousand for the 8m mill, and a reduction of simulation time by about 50-fold. As it is the simulation takes a number of days, so such a reduction is essential to render the work feasible. DATA ANALYSIS METHODOLOGY A C/C++ based framework was employed in extracting and analysing the massive data sets generated though the DEM simulation (Weerasekara et al 2008). The framework employs a two phase approach, where Phase I of this system interacts directly with the DEM output and generates data sets which can be easily managed and handled by the Phase II. The method adapted in Phase I will vary slightly depending on the DEM output data structure of the DEM code used, but the outputs are consistent for linking into the next stage of analysis. In this study the selected collision data for Phase I analysis was written out via a custom module coded using EDEMs API (DEM Solutions, 2009). In Phase II, the data extracted and grouped in Phase I is further summarised depending on the requirements for further modelling work. RESULTS AND DISCUSSION Using these DEM simulations, the energy dissipation associated with separate particle interactions was calculated. Frequency distributions of these energy losses, both in the normal and shear directions were determined from all the individual collision events. Spectra were calculated for each type of collision event and for each ball and rock size class. Energy spectrums for three different mill sizes are compared in Fig 1. The techniques of logging collisions and calculating
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collision energies is addressed in detail in Weerasekara and Powell (2008, 2010). With the increase in mill size from 1.6 m to 3 m it was observed that smaller particles, less than 11 mm, experience higher normal and tangential energies, but when the mill size further increase to 6 m the energies reduce considerably (Fig 1e and f). It is also observed that the particles larger than 43 mm experience higher normal and tangential energies as the mill size is increased. The particles in the mid range between 30 15 mm seem to have an increasing trend with a peak at the 3 m size and start to decrease gradually at the 6 m size.
Fig 1. Distribution of collision frequencies vs collision energy components in the normal (column 1) and tangential (column 2) directions for the three mill sizes (1.6 to 6 m from row 1 to 3)
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The collisions in the ball mills are also summarised in the same fashion as for the SAG mill. Every collision is summed up from the lowest energies to the highest energy collisions. The distributions for the four ball sizes over the four liner profiles are presented in Fig 2. The four distinct energy distributions correspond to the ball sizes, with the largest ones providing the highest energy collisions. The collisions are expressed as per ball per second, so to obtain the total collision rate the presented rate must be multiplied by the number of balls in each size class. These collision spectrums can be utilized in predicting breakage rates in these types of mills using breakage modelling techniques like the UCM.
Fig 2. Collision energy distribution for each ball size for the four liner geometry profiles In modelling liner wear, the spectrum of loading on the front, s1, and rear, s2, face of each wave liner are given in Fig 3. This shows the relative velocity and pressure plots as a function of angular position in the mill. These are simply point plots of all accumulated data. The pressure plot shows the range over which they are in contact with the liner, and the bands represent loading by the different ball size classes. The toe of the charge is at about 45 and the shoulder at about 220. As the wear model of Archards equation (Pirso 2004) is linear with the F*v*t values (t being the duration of contact), the scatter plot data can simply be summed to give the summarised totals, which could be used to predict the rate of wear in liners.
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Fig 3. Force and relative velocity distribution on selected set of liner segments in the 8m ball mill CONCLUSION A campaign of DEM simulations were performed varying the mill type, size, charge particle and ball size distribution, to explore and understand the breakage environment in mills using DEM techniques. Using the large DEM outputs collision energy spectrums were calculated for estimating grinding rate. Then the normal force and relative velocity due to charge on the liner were derived for estimating liner wear rates. Using these tests the ability to analysis large data outputs of DEM for the requirements for comminution modelling have being tested and demonstrated. ACKNOWLEDGMENTS This work was carried out under the auspice and funding of the CSRP, and with additional funding from the JKMRC
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REFERENCES 1. P. W. Cleary, Recent advances in DEM modelling of tumbling mills, Minerals Engineering, Volume 14, Issue 10, 1295-1319, October 2001. 2. A. Datta, R.K. Rajamani, A direct approach of modeling batch grinding in ball mills using population balance principles and impact energy, Int. J. Miner. Process, 64 (4), 181200, April 2002. 3. DEM Solutions Ltd, EDEM User Guide, 2009. 4. J.A. Herbst, A microscale look at tumbling mill scale-up using high fidelity simulation, Int. J. Miner. Process, Volume 74S, pp.S299S306, 2004. 5. B.K. Mishra, A review of computer simulation of tumbling mills by the discrete element method Part IIPractical applications, Int. J. Miner. Process. Volume 71. 95112, 2003. 6. B.K. Mishra, R.K. Rajamani, Simulation of charge motion in ball mills: Part 1. Experimental verifications, Int. J. Miner. Process, 40, 171186, 1994. 7. M.S. Powell, The Unified Comminution Model - a conceptually new model, Proceedings of the XXIII IMPC. 3 - 8 Sep. 2006, Istanbul, Turkey, ISBN 9757946-27-3, pp. 1783-1788, 2006. 8. M.S. Powell, I. Govender and A.T. McBride, Applying DEM outputs to the unified comminution model, Minerals Engineering, Volume 21, Issue 11, pp 744-750, 2008. 9. J. Pirso, M. Viljus, S. Letunovits, Sliding wear of TiCNiMo cermets, Tribology International, Volume 37, Issue 10, Pages 817-824, 2004. 10. N.S Weerasekara and M.S. Powell, The New Energy Logging from the Discrete Element Method. In proceedings CSRP08 2nd annual conference, Brisbane, Queensland, Australia, November 18-19, 2008. 11. N.S Weerasekara and M.S. Powell, Exploring the breakage environment in mills with DEM. Accepted for publication In Proceedings XXV International Mineral Processing Congress, Brisbane Australia, Sep 2010.
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VEHICLE DYNAMICS ON OFF-ROAD TERRAIN

Matt Sinnott1 and Paul Cleary1
1
CSIRO Mathematics, Informatics and Statistics, Clayton, Australia
A 3D DEM model of a light truck was developed for the purpose of investigating tyre-ground dynamics. Wheel motion and a threecomponent independent suspension were included. As a preliminary test for the model, the truck was driven over a flat, rocky terrain. The effect of the loose granular topography on motion of the truck is reported.
INTRODUCTION The interaction of tyres with dry, flat rigid surfaces to propel a vehicle forward is well understood as is evident from the advent of realistic driving simulators [1]. However, real off-road surfaces (soil/rocks/sand) consist of granular materials that can compact under load [2], destabilize and flow around moving wheels, and experience large discontinuous deformations due to wheel-track sinkage. Such deformations are a challenge for FE models of the terrain. Horner et al. [3] developed a DEM model of a rigid, smooth wheel plowing through a terrain of 10 million spherical particles. Nakashima et al. [4] have investigated the effect of tyre tread on vehicle traction for a single wheel interacting with a coarse, 2D spherical DEM model of sand. However, depending on the terrain it is not obvious that soil deformations generated by each wheel can be isolated from that of the other wheels. To date, no full vehicle model with multiple wheels interacting with rocky ground has been attempted.
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This is a preliminary study of a model of an AWD (All Wheel Drive) Toyota Hilux truck driving in a straight line over a granular terrain. The model will be demonstrated on very simple, almost flat, rocky ground but more complex topography are straight forward to use and will be investigated in the future. The rock shapes are represented by blocky, super-quadric (SQ) particles [5]. Independent double-wishbone suspension and coil spring/shock absorbers have been included for each wheel. The model contains all the elements needed to predict both the nature of ground-vehicle engagement and the full resultant motion of the car. VEHICLE DYNAMICS (a) (b)
Figure 1: a) The CAD geometry of the Toyota Hilux model; b) An exploded view of one Double-Wishbone suspension set and its connections to the chassis. A CAD model of a Toyota Hilux truck (5 m length, 1.8 m wide and 1.6 m tall) which is used in this study is shown in Figure 1a. The truck assembly consists of: a chassis; independent Double-Wishbone suspension for each wheel; and wheels. The tyres used here have a smooth tread. Steering, braking and drive-train control systems, and more complex tyre tread patterns have not yet been included in the model but will be implemented in the future. The vehicles load is directed through the contact points between tyres and ground (and not through the vehicles centre of mass). Therefore moments are generated that cause the vehicle body to pitch forwards or backwards as the vehicle changes speed, or roll from side to side when the wheels encounter pot-holes or undulations in the road. This modifies the load distributed onto each wheel, and
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in turn modifies the total tyre-ground traction available for vehicle propulsion. Consolidation and compaction [2] (or even destabilization) of a loose terrain under load and shear will further modify the tyre-ground traction. Models based on simplified kinematics (with specified positions or motion of the wheels) are unable to capture the dominant dynamics that control motion. The suspension, wheels and chassis are coupled together using pivot joints that we model as zero-length spring and dashpot forces as shown in Figure 1b. The colors represent the different connections. Red, dashed lines indicate where the suspension component joints are connected to the chassis. The blue lines represent the spring forces in the coil springs, and the gray line indicates the axle connection. The axle of each wheel is connected to the chassis gearbox via a single joint. The upper and lower arms of the suspension are attached to different parts of the chassis via pairs of joints that constrain the motion of each arm to a single rotational degree of freedom. The other end of each arm is attached to a vertical strut by more pivot joints (with the same rotational constraints as before). The simple rectangular strut represents the connections of a normal suspension to the wheel and is attached to the wheel by three joints along the axle to keep the strut positioned upright and parallel to the plane of the wheel. The bottom of the shock absorber is connected to the middle of the lower suspension arm by a pair of joints, and the coil spring from the top of the shock absorber is modeled using four springs of 275 mm in length attached to the chassis. This suspension is the same for each wheel, and thus by four-fold symmetry gives 72 spring forces in the suspension assemblies. Spring stiffnesses ranged from 106 107 N/m. A timestep of 2x10-5 s provides stable numerical integration for the assembly. The truck components are all modeled as fully dynamic bodies and the wheels are set in motion by specifying a constant angular acceleration. The ground layer consists of 14,000 stably packed SQ particles (representing coarse gravel with diameters between 10 and 30 mm, and shape index in the range 3 6. The truck is initially stationary and is supported by the contact forces between wheels and ground. A steady angular acceleration of 5 rad/s2 was applied to each wheel. A static friction of 1.0 and dynamic friction of 0.8 were used for tyre/rock and 0.6/0.4 for rock/rock interactions. The restitution coefficient was 0.5 for tyre/rock and 0.3 for rock/rock. For details of the DEM implementation used here, see Cleary [6].
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MOTION OF TRUCK DRIVING OVER GRANULAR TERRAIN (a)
(b)
(c)
Figure 2: The truck motion over the rocky terrain. The rocks are colored by speed with purple (stationary), blue (low-speed) and red (2 m/s).
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Figure 2 shows the truck at different positions. It propels itself forward due to traction forces applied by the tyres to the gravel. The rocks are colored based on speed. As each wheel comes into contact with new parts of the terrain, the rocks surrounding the wheel are mobilized. Interaction between the vehicle assembly, tyres and ground result in wheel motion that is a combination of rolling (via traction forces) and plowing through the relatively loose surface layer of rocks. The latter occurs because there is mild but observable sinkage of the wheels into the terrain. The load distributed through each tyre-ground contact then exerts pressure on the granular terrain in front of the moving vehicle. This is demonstrated by rocks well in advance of the approaching wheels being forced into motion. The plowing action of the wheels tends to push these rocks sideways and around the wheel. (a) (b)
Figure 3: a) Forward motion of the truck; b) Vertical position of the wheels. Figure 3a shows the truck accelerating over four seconds. At 6 s, the vehicle speed is about 1/5 the tangential speed of the wheels and the acceleration shows considerable variability. This is due to low traction between the smooth tyre tread and the ground, and to the shifting granular material under each wheel. Figure 3b shows the vertical position of the wheels with time. The front wheels (objects 3 and 4) and back wheels (objects 5 and 6) move up and down together as pairs. This is mainly due to the relatively flat nature of the terrain across the width of the car. Occasionally the wheels either climb over larger rocks or sink into the surface layer giving up to 200 mm variation in their positions. Each vertical impulse felt by the tyre-ground contacts varies the torque about the centre of mass of the truck.
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The variable torque causes the truck to pitch backwards and forwards and is the reason for the differences observed in the front and back wheel heights. CONCLUSION Dynamical models of multi-component vehicles driving over granular terrain are now possible. The model in this paper contains all the elements needed to predict both the nature of ground-vehicle engagement and the full resultant motion of the vehicle. We observed destabilization of the surface layer of the ground due to the wheels sinking and plowing through the loose rocks. Quantitative predictions of vehicle motion demonstrated non-linear acceleration due to the vehicle bouncing around on the uneven terrain. This resulted from the vehicle repeatedly pitching forwards and backwards, and experiencing variable traction on different wheels. The next steps for this model will be to add in realistic tyre-tread patterns and tyre deformation. We will also explore more complex, terrain topography and extend the truck description to include full drive-train, steering and braking control. REFERENCES 1. Yoshimoto, K. and Suetomi, T., J. Mech. Systems for Transport. and Logistics, 2 159-169, 2008. 2. Tordesillas, A. and Shi, J., Proc. 13th Int. Conf. of ISTVS, 1 201-208, 1999. 3. Nakashima, H., Takatsu, Y., Shinone, H., Matsukawa, H. and Kasetani, T., J. Mech. Systems for Transport. and Logistics 2 55-65, 2009. 4. Horner, D.A., Peters, J.F. and Carrillo, A., J. Eng. Mech., 127 1027-32, 2001. 5. Cleary, P.W., Granular Flows: Fundamentals and Applications, Granular and Complex Materials, ed. T. Aste, pub. World Sci., pp. 144-145, 2007. 6. Cleary, P.W. and Prakash, M., Phil. Transaction of Royal Society, 362 20032030, 2004.
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CHARGE AND STRUCTURE BEHAVIOUR IN A TUMBLING MILL

Pr Jonsn1, Bertil I. Plsson2, Kent Tano3, Andreas Berggren4
1 2
Division of Solid Mechanics, Lule University of Technology, SE-97187 Lule, Sweden
Division of Mineral Processing, Lule University of Technology, SE-97187 Lule, Sweden

3
Technology and Business Development, LKAB, SE-98381 Malmberget, Sweden

4
Technology and Development, Boliden Minerals, SE-93681 Boliden, Sweden
The grinding process in tumbling mills is complex and to include all phenomena that occur in a single numerical model is today not possible. This paper presents the results of a study in which the deflection of a lifter bar in a pilot ball mill is measured by an embedded strain gauge sensor and compared to deflections predicted from finite element (FE) simulations. The flexible rubber lifter and the lining in a tumbling mill are modelled with the finite element method (FEM) and the grinding medium modelled with the distinct element method (DEM). The deflection profile obtained from DEM-FE simulation shows a reasonably good correspondence to pilot mill measurements. The approach presented here is a contribution to the validation of DEM-FE simulations and an introduction to the description of a bendable rubber lifter implemented in a DEM-FEM mill model. It opens up the possibility to predict contact forces for varying mill dimensions and liner combinations. FEM is especially valuable in this case, since there are readily available libraries with material models. This is a follow-up work to previous preliminary result from a mono-size ball charge interaction study.
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INTRODUCTION The behaviour of tumbling mills is complex and several parameters do significantly influence the effectiveness of the grinding operation. Many of these parameters are either difficult or laborious to measure. Understanding of the charge motion within the mill is of importance in mill optimisation. Both the breakage of ore particles, deformation of the lining and the wear of liners/ball media are closely linked to the charge motion. To study these phenomena in a physically correct manner, suitable numerical models for the different parts of the mill system is required. To model charge motion and its interaction with the lining, the grinding balls are modelled with DEM and the mill structure modelled with FEM. All parts of the mill system will affect its response and a DEM-FEM model gives the opportunity to study the influence of the mill structure. The validation of this task is done by comparing numerical results with experimental measurements from pilot grinding with an instrumented rubber lifter. This work is a continuation of previous preliminary work on DEM-FEM modelling of tumbling milling processes, see Jonsn et al. [1]. EXPERIMENTAL SETUP The pilot mill is 1.414 m in diameter and 1.22 m in length. It is a gratedischarge mill, equipped with 12 rubber lifters of square size 0.1 m and a face angle of 45 degrees. Steel balls with a diameter ranging between 10-30 mm and a density of 7800 kg/m3 were used in the experimental tests. The test material, a hematite pellet feed with d50 around 35m and a solids density of 5200 kg/m3, was chosen to obtain stable grinding conditions with respect to feed size variations. Feed rate was kept constant at approx. 1.5 tonne/h. One of the lifters has a strain gauge mounted on the leaf spring that converts this deflection to an electric signal. The signal is then amplified, filtered and transmitted to a computer. The sensor system is marketed by Metso Minerals under the name Continuous Charge Measurement system (CCM). As the mill rotates and the lifter with the sensor dips into the charge, the force acting on the lifter increases, which in turn, causes a deflection.
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MODELLING The model of the mill is a combined DEM-FEM model; the charge consists of DEM particles and the mill structure is modelled with FEM. The mill structure consists of rubber lifter and liners and a mantel made of solid steel. For the elastic behaviour of the rubber a Blatz-Ko hyper-elastic model is used [2]. Experimental data for the rubber was provided by the supplier of the lining. The mill mantel is modelled as a rigid material. The original length of the mill is 1.22 m, however, in the model only a slice of 0.10 m is modelled. Fully integrated eight node solid elements with a reduced integration of the pressure part are used to model the structure.
b Fig 1. In a. the non-graded charge with 20 mm diameter particles and in b. the graded charge with a diameter distribution of 15-25 mm.
A total number of 9401 solid elements are used to model the structure. The friction coefficients of the particle-particle contact was set to = 0.5 and for the particle-wall contact to = 0.9 based on values published by Rajamani [3]. For the contact between the particles and the structure a nodes to surface contact is used. A viscous damping of 60% is used in this contact based on the particleparticle bouncing collision behaviour observed in the current calculations. Be-
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cause of the two-dimensional representation, the balls in the numerical mill are represented by rods rather than spheres. In this case, the disk thickness is set equal to the length of the pilot mill model, 0.1 meters. In order to mimic the mass and inertia of a string of charge balls rather than a solid rod, the density of the particles representing the charge was lowered accordingly. The consequence of this two-dimensional representation is that any single particle impacting the lifter within the two-dimensional model is actually simulating the simultaneous impact of a string of charge balls running the full length of the mill. Such simultaneous impact is not likely happening in reality and so this should be considered when interpreting deflection results from the 2D model.
1 Diameter 1525 mm Diameter 20 mm Measured
0.8
Normalised deflection []
0.6
0.4
0.2
0 0 50 100 150 Rotation angle [degrees] 200 250
Fig 2. Displacement of the lifter during passage through the charge. Comparison between graded charge, non-graded charge calculations and measurements. RESULTS In the numerical study the mill fill was J = 25% and speed 73% of critical rotational speed. Two different ball charges are used in the study. One with a constant particle diameter of 20 mm and one with a particle diameter distribution from 15 to 25 mm, one third of each type, also called graded charge. In Fig 1 the two cases are shown at steady state. The graded charge tends, according to the simulation to
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have more voids in the packing pattern of the particles and the toe angle is smaller.
Fig 3. A snapshot of the von Mises stress field for a part of the mill model during its passage through the charge. To study the charge impact on the mill structure during the milling process one can study forces and deflections of a lifter in the system. To observe the forces that go through the system of liners a section plane is introduced in the liner behind the studied lifter. The structure will respond to deformation upon the incoming load from the charge. The deflection of the lifter is also analysed and compared to the experimental measurements, see Fig 2. These deformations will give rise to strains and stresses which are dependent on the material properties of the structure. A snapshoot of the von Mises stress field for two lifters and the liner in between and during their passage in the charge is shown in Fig 3. This is one of the additional properties that are available from the FE-program.
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CONCLUSION The DEM-FEM model can predict the classical DEM results, but can also predict responses from the mill structure like, e.g., stress and strain. The model gives the opportunity to optimize the material selection of the mill structure. Critical response values for e.g. stress and strain can be identified during the milling process. Forces and mechanical waves in the mill structure can be found. The major difference between DEM only and DEM-FEM models is that the latter give a direct coupling between force, stress and displacement for the whole mill system. To include the mill structure response in the numerical models gives more information regarding charge motion and results in better correlation between experimental measurements and numerical models. ACKNOWLEDGMENTS For financial support of the project ModPulp project number P341106-1 within Gruvforskningsprogrammet are Vinnova gratefully acknowledged.
REFERENCES 1. P. Jonsn, J. Alatalo, B. I. Plsson, K. Tano, Prediction of contact forces between a grinding charge and mill lifters 12th European Symposium on Comminution and Classification, 2009, 2. P. J.Blatz and W. L. Ko, Application of Finite Element Theory to the Deformation of rubber Materials, Trans. Soc. of Rheology, 6, 223-251., 1962 3. R. K. Rajamani, Semi-Autogenous Mill Optimization with DEM Simulation Software. In: Control 2000 Mineral and Metallurgical Processing. Society for Mining, Metallurgy, and Exploration, Inc., Littleton, CO., USA. pp. 209215, ISBN 0-87335-197-5, 2000
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ANAYSIS OF PARTICLE CHARING BEHAVIOUR VIA ROTATING CHUTE OF BLAST FURNACE BY USING DISCRETE ELEMENT METHOD
Hiroshi Mio1, Shinroku Matsuzaki1, Kazuya Kunitomo1, Jusuke Hidaka2
1. Nippon Steel Corporation, Environment & Process Technology Center 2. Doshisha University, Department of Chemical Engineering & Materials Science
The objective of this paper is to analyze the particle behavior at a charging process of blast furnace by using Discrete Element Method. The effect of chute inclination angle on the flowing behavior or the particle segregation was discussed. The charging area of burden from the rotating chute became closer with decreasing the chute angle, and the charged layer was collapsed by the following charged particles. The particles, which were charged at early time, were not able to move toward the center of blast furnace, on the other hand, the others moved.
INTRODUCTION A blast furnace is a huge reactor having more than 5000 m3 in volume for producing pig-iron from iron ore particles. Ore and coke particles are being stacked alternately in layer, and the gas having high temperature is blown from tuyeres. Iron ore particles are reduced during descending, and many physical changes and chemical reactions between each phase are undergoing in there. It has been thought that the burden distribution affects the operating efficiency strongly. Because the void fraction, the gas flow distribution and the burden descending be-
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havior depend on the burden distribution, and the particle segregation during charging at the top of blast furnace affects it very much. Therefore, people want to control the particles location in the blast furnace when particles are charged in there. For this reason, the rotating chute is installed at the top of the blast furnace for charging equipment. The burden may be charged at the suitable area by changing the inclination angle of the chute. However, it is quite difficult to confirm the results which people expected, because there is massive dust during charging. Therefore, the computational simulation using Discrete Element Method (DEM) [1] is required for the estimation and optimization of the charging processes. DEM is one of the most reliable simulation methods for analyzing the solid particle behaviour. The authors have proposed the method to solve the effect of particle shape on flowing behaviour; i.e. each particle has its own rolling friction [2]. The particle behavior and the segregation during flowing through the laboratory-scale chute analyzed by the simulation agreed with the experimental results very well, and its agreement could be seen under several different conditions (chute angle, installation of a damper or particle mixture) [2]. Therefore, this simulation method has a high potential to analyze the particle segregation during charging to the actual blast furnace. In this paper, the particle charging behavior of sintered ore at the charging process of blast furnace was simulated by using DEM. The inclination angle was changed during charging like an actual operation, and the burden position for each inclination angle and the particle size segregation were discussed. SIMULATION The three-dimensional solid particle behavior in the charging process of blast furnace was simulated by using DEM. This simulation method consists of an idea of determining the kinematic force to each finite-sized particle. All forces acting on each particle are modeled and calculated at every discrete-time step. The trajectories of particles are updated by Newtons low of motion, and The contact model between two particles is given by Voigt model, which consists of a springdashpot and a slider for the friction in a tangential component. The shape of particle in DEM is usually assumed to be spherical due to the ease of contact detection or calculation of contact force, although the shape of sintered ore particle is completely irregular. Thus, its effect on the particle motion must be considered in
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DEM by setting the proper rolling friction for each particle, and it is given in following equation.
3 M r , i = i b Fn i i 8
(1)
Where, b is a radius of contact area, and i denotes the coefficient of rolling friction. Every particle has different i, because the shapes of sintered ore particles are totally different from each other. Its distribution is related with the rollability of particle [2]. The method having individual rolling friction had given the significant agreement with the experimental results [2], therefore, this method was applied to the present work. The bell-less type (rotating chute) charging system of the blast furnace was modeled in this work. The length of horseshoe-shaped chute was about 5.3 m, and a damper was installed at the outlet of the chute with 26. 31 tons (density, : 3300 kg/m3, Youngs modulus, E: 35 GPa, Poissons ratio, : 0.25) of sintered ore were positioned in the hopper randomly and packed. The coke layer was made at the top of blast furnace, and its surface profile was in agreement with the actual one. The number of coke particles was 112712 (: 1050 kg/m3, E: 5.4 GPa, : 0.22). The particle size distributions of sintered ore and coke were related to actual ones, however the particle sizes were adjusted relatively three times bigger than actual ones to reduce the number of calculated particles (sintered ore: 22.5~97.5 mm; coke: 67.5~262.5 mm). Numbers of particles were 520231 (sintered ore) and 112712 (coke). The particles in the hopper were discharged on the rotating chute, and they were charged into the blast furnace via the chute. The chute incination angle against the virtical direction, c, was changed from 43.1 to 36.9 every two or three rotations (see Table 1), and the total number of rotations was 16. The rotational speed was 8.0 rpm. The coke layer in the blast furnace didnt descend during charging, and the effect of gas flow was not considered. t was 1.75 s, and the total number of calculation steps was about 28 millions steps. All calculations were executed by parallel computing using OpenMP.
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Chute inclination angle Number of rotations
43.1 3
42.0 3
40.9 2
39.5 3
38.2 3
36.9 2
Table 1. Condition of chute inclination angle RESULTS AND DISCUSSIONS Figure 1 shows the snapshots of particle charging behavior under the different chute inclination angles (1st, 4th, 7th, 9th, 12th and 15th charging). The particle colors are changed as the chute angle, and all coke particles are black. The distance between the charging point and the center of blast furnace was also shown. The charging point shifted to the center with decreasing the inclination angle. The charged layer was compressed and widened by the following charging, and the particles slid toward the center. When the chute inclination angle was decreased, the particles were charged at the slope of the heap. Then they were able to move toward the center easily.
LR=4.10 m
3.76 m
3.66 m
(a) 43.1
(b) 42.0
(c) 40.9
3.42 m
3.31 m
3.08 m
(d) 39.5
(e) 38.2
(f) 36.9
Fig.1 Snapshots of charging behavior
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Figure 2 shows the changes of radial distribution of burdens which were charged under 43.1 or 42.0 in chute angle (1st to 3rd rotation; red particles in Fig.1 or 4th to 6th, cyan particles). Although the distribution shifted slightly to the center, these particles hardly move toward the center under 43.1. Because they are pressed into the coke layer. On the other hand, the particles, which were charged under 42.0, moved toward the center continuously. Some of them reached around the center. Figure 3 shows the relation between the relative charged mass of sintered ore particles and the radial distance. It is also found from this figure that most of particles near the wall were the ones which were charged during 1st to 3rd charging. The ones charged after 42.0 charging reached near the center of blast furnace. Because they are charged on the sintered ore layer, they can slide easily toward the center comparing to the case which the sintered ore particle were charged on the surface of coke layer (they have larger size and smaller dinsity). It is very important to know the traveling distance of particles under each inclination angle condition and the simulation using DEM is very helpful for grasping the phenomena.
100 Specific charged mass [kg/m ]
2
80 60 40 20 0
Specific charged mass [kg/m ]
After 3 charges After 6 charges After 8 charges After 11 charges After 14 charges After 16 charges
100
2
80 60 40 20 0
After 6 charges After 8 charges After 11 charges After 14 charges After 16 charges
Radial distance [m]
Radial distance [m]
(a) 43.1
(b) 42.0
Fig.2 Cahnges of radial distribution of burdens
500
1.0
Relative charged mass [-]
0.8 0.6 0.4 0.2 0.0
43.1 o 42.0 o 40.9 o 39.5 o 38.2 o 36.9
Radial distance [m]
Fig.3 Relation between the relative charged mass and the radial distance
CONCLUSION The particle behavior at the charging process of blast furnace was simulated by using DEM. The effect of chute inclination angle on the flowing behavior was discussed. The charging area of burden from the rotating chute became closer to the center with decreasing the chute angle, and the charged layer was collapsed by the following charged particles. The particle behavior during charging can be simulated, and this process will be optimized by using DEM. REFERENCES 1. P.A. Cundall, O.D.L. Strack, A Discrete Numerical Model for Granular Assemblies, Geotechnique, 29, 47-65, 1979. 2. H. Mio, S. Komatsuki, M. Akashi, A. Shimosaka, Y. Shirakawa, J. Hidaka, M. Kadowaki, S. Matsuzaki, K. Kunitomo, Validation of Particle Size Segregation of Sintered Ore during Flowing through Laboratory-scale Chute by Discrete Element Method, ISIJ International, 48, 1696-1703, 2008.
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STUDY ON CUTTING FORCES OF SIC MACHINING PROCESS WITH PRE-STRESSED USING DEM SIMULATION
Shengqiang Jiang1 Yuanqiang Tan1 Dongmin Yang1,2 Yong Sheng2
1
School of Mechanical Engineering, Xiangtan University, Hunan 411105, China

2
School of Civil Engineering, University of Leeds, Leeds, LS2 9JT, UK
Based on the theory of metal pre-stressed machining, the method of pre-stressed suitable for ceramic materials machining was presented. And using the cluster method and bonded particle model (BPM), the discrete element method (DEM) model of ceramic materials of prestressed machining was established. An orthogonal test was applied to select the optimum machining parameters which included pre-stressed size, tool rake angle, depth of cut, tool edge radius and cutting speed in the SiC ceramic pre-stressed machining process. It was found that the cutting force was basically changed a little under the action of prestressed. Based on the orthogonal test results, the influences of five elements on cutting force were discussed.
INTRODUCTION Ceramic materials have been widely used as functional materials and structural materials in many industrial fields. However, due to their inherent high hardness and brittleness, grinding has become the main machining method. In the process of machining ceramics material, the damage that caused by tools contact with the ceramics surface is mainly reflected in the surface/sub-surface cracks and residual
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stress [1]. Clearly, owing to the high machining cost of ceramic components and the difficulty of controlling and measuring the damage of machined surface, its wider application is limited. Therefore, the study of damage and control mechanism has become an important research topic of ceramic machining and its application. Pre-stressed cutting method was first proposed by Zhou [2] in the machining of metallic materials, which had been used in turning, grinding and milling. In this paper, based on the theory of metal pre-stressed machining, the method of prestressed suitable for ceramic materials machining was presented. The influence of pre-stressed size, depth of cut, cutting speed, tool rake angle and tool edge radius to the tangential force and normal force were investigated. DEM SIMULATION DEM model of SiC ceramic. Discrete element method (DEM) was introduced by Cundall [3] for analysis of rock-mechanics problems and then applied to soils, concrete and ceramics. Bonded particle model (BPM) was adopted to simulate a kind of cemente with a finite size joining the two particles. In order to represent the complex-shaped grains of SiC, we make a number of particles bonded into a cluster (see Fig 1). Here we set the maximum allowable number of particles in a cluster equal to 7. In order to have confidence that a particular model is reproducing desired physical behavior, it is necessary to calibration the micro-parameters of DEM model. Here we used the uniaxial compressive test, the three-point bending test and the fracture toughness test [4] to calibrate the particle properties in polycrystalline SiC DEM model. DEM model of pre-stressed machining. In DEM cutting model, the workpiece which represents for the polycrystalline SiC parts was set up by the packing particles into a cell surrounded by three fixed walls, as shown in Fig 1. The dimension of the work piece was 0.85mm in length and 0.3mm in height, consisting of 2219 clusters and 10909 balls. There is no friction between the work piece and the walls. A two-double wall was used as a cutting tool which ploughed into the work piece and moved with a cutting speed of v to simulate a real cutting process. The stiffness of the walls was much bigger than that of the particles to avoid any
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distortion of the cutting tool. The velocities of lateral walls are controlled by a servo-mechanism that maintains a specified pre-stressed P. The method of orthogonal test was used to investigate the influence of machining parameters to cutting force. Pre-stressed size, depth of cut, cutting speed, tool rake angle and tool edge radius were selected as controllable independent variables of DEM simulation named A, B, C, D and E, respectively, each at four levels and their test levels were listed in Table 1.
Fig 1 DEM model of the pre-stressed cutting process.

Elements and levels 1 2 3 4 A (P/MPa) 100 300 500 700 B (ap/m) 10 20 30 15 C (v/m/min) 5 10 15 20 D (/m) 5 10 15 20 E (/) 5 -5 -15 -25
Table 1 The orthogonal test factors and levels RESULTS AND DISCUSSION The test results were listed in Table 2-3. In the orthogonal test, K is the sum of target function of every level and k = K/4. R is equal to max {ki} min {ki}, and R scales the effect of variables on the result. High R value of variable means this variable has a strong effect on the result. Fig 2 shows the effects of five elements on cutting force (tangential force and normal force) according to the quantity of pre-stressed, tool rake angle, depth of cut, tool edge radius and cutting speed by comparing level values in Table 1. It
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can be seen from Fig 2(a) that the tangential force and normal force are basically changed little under the action of pre-stressed. The tool rake angle is also effect the outcomes, and the tangential force and normal force are decreased when the rake angle changes form -25 to 5. It is indicated that the small rake angle can reduce the cutting force. The larger the depth of cut, the higher the tangential force and the normal force are. The tangential force is smaller than the normal force when the depth of cut is less than 12.5m, but it becomes higher as the quantity of depth of cut increases. The effect of tool edge radius to cutting force is just as shown in Fig 2(d). As the increasing of tool edge radius, the tangential force gradually decreases, but the normal force is increased. It may be attributed to the increased cutting edges passivation and the increased contact surface areas in y-direction between the tool and materials cause the cutting force changed from the tangential force to normal force. The lower the cutting speed, the lower the cutting force is. Test no. A Fx(N) Fy( N) B C D E 1 1 1 1 1 1 18.7 22.8 2 1 2 2 2 2 92.0 58.9 3 1 3 3 3 3 136.8 99.3 4 1 4 4 4 4 87.8 96.6 5 2 1 2 3 4 93.5 71.7 6 2 2 1 4 3 26.9 64.8 7 2 3 4 1 2 82.5 53.2 8 2 4 3 2 1 137.3 91.4 9 3 1 3 4 2 103.5 80.1 10 3 2 4 3 1 37.0 50.4 11 3 3 1 2 4 73.6 63.4 12 3 4 2 1 3 140.5 78.1 13 4 1 4 2 3 61.4 46.4 14 4 2 3 1 4 149.9 80.3 15 4 3 2 4 1 53.4 74.5 16 4 4 1 3 2 60.4 68.7 5 Table 2 The orthogonal test results with L16 (4)
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K1 K2 K3 K4 k1 k2 k3 k4 R
A 335.3 340.3 354.8 325.0 83.8 85.1 88.7 81.3 7.4
Tangential force Fx (N) Normal force Fy (N) B C D E A B C D 277.2 179.7 391.6 246.5 277.6 221.1 219.7 234.4 305.8 379.4 364.3 338.4 281.1 254.4 283.2 260.1 346.3 527.5 327.7 365.7 272.0 290.3 351.1 290.1 426.1 268.8 271.7 404.9 269.9 334.8 246.6 316.0 69.3 44.9 97.9 61.6 69.4 55.3 54.9 58.6 76.5 94.9 91.1 84.6 70.3 63.6 70.8 65.0 86.6 131.9 81.9 91.4 68.0 72.6 87.8 72.5 106.5 67.2 67.9 101.2 67.5 83.7 61.7 79.0 37.2 87.0 30.0 39.6 2.8 28.4 32.9 20.4 Table 3 Analysis of L16 (4)5 test results
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E 239.0 260.9 288.7 312.0 59.8 65.2 72.2 78.0 12.8
135 120
(c) Tangential force Normal force
(a) Tangential force Normal force

Cutting force (N)
135 120 105 90 75 60 45
(b) Tangential force Normal force

120
Cutting force (N)
105 90 75 60 45 100 200 300 400 500 600 700
Cutting force (N)
105 90 75 60 45
-25
-20
-15
-10
-5
10
15
20
25
30
Pre-stress size (MPa)

135 120
Tool rake angle (degree)

135
Depth of cut (m)
(d) Tangential force Normal force

Cutting force (N)
(e) Tangential force Normal force
120 105 90 75 60 45
Cutting force (N)
105 90 75 60 45 4 6 8 10 12 14 16 18 20 22
10
12
14
16
18
20
22
Tool edge radius (m)
Cutting speed (m/min)
Fig 2 Effects of pre-stress size, tool rake angle, depth of cut, tool edge radius and cutting speed on the cutting force (tangential force and normal force).
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CONCLUSION In this study, a DEM method was used to simulate the cutting process of SiC ceramic under the action of pre-stressed. And using the orthogonal test method, the effects of the five cutting parameters on cutting force were studied. From the test results we can see that: using the method of pre-stressed machining, the cutting force was fluctuated within a small range, so it didnt bring the difficult to cutting the materials. And under the action of pre-stressed, with the increasing of depth of cut and the cutting speed, the cutting force increased lineally but it decreased with the tool rake angle changing from negative to positive. And also the tangential force increased with the increasing of tool edge radius while the normal force decreased. ACKNOWLEDGMENTS This research work was supported by the National Natural Science Foundation of China (50875224). REFERENCES 1. R. Hessert, B. Eigenmann, O. Vhringer, D. Lhe. Fracture mechanical evaluation of the effects of grinding residual stresses on bending strength of ceramics. Materials Science and Engineering A, 234-236, 1126- 1129, 1997. 2. Z.H. Zhou, D.T. Guo. Pre-stressed machining: combined use of heuristics and optimization methods, In Proceedings of IX the ICPR, Cincinnati, 1, 257-262, 1987. 3. P.A. Cundall, O.D.L. Strack. A discrete numerical model for granular assemblies, Geotechnique, 29(1), 4765, 1979. 4. Y.Q. Tan, D.M. Yang, Y. Sheng. Study of polycrystalline Al2O3 machining cracks using discrete element method, International Journal of Machine tool & Manufacture, 48(9), 975-982, 2008.
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DEM SIMULATION OF PARTICLE MOTION IN A PADDLE MIXER

Ali Hassanpour1, Hongsing Tan2, Andrew Bayly2, Prasad Gopalkrishnan3, Boonho Ng2 and Mojtaba Ghadiri1
1
Institute of Particle Science and Engineering, School of Process, Environmental and Materials Engineering, University of Leeds, UK
2
P&G Technical Centre Ltd., Newcastle Upon Tyne, UK

3
P&G Co., ITC, Cincinnati, Ohio, USA
This article compares DEM simulations of particle flow in a paddle mixer to experimental measurements using Positron Emission Particle Tracking (PEPT). Good qualitative agreement is shown between DEM and PEPT in terms of flow patterns inside the mixer. Quantitative comparison of PEPT measurements and DEM analyses shows reasonable agreement in terms of velocity distribution. In general, the DEM is shown to be capable of predicting the dynamics of the particulate flow inside the mixer.
INTRODUCTION Powder mixing is a fundamental process operation in many applications such as detergent, cosmetic, food and pharmaceutical manufacturing. A wide variety of mixers are used depending on specific application requirements, including batch and continuous mixers with a wide range in shear rates, residence times and specific energy inputs. Understanding, control and optimisation of these processes are of strategic importance, but at the same time very challenging. To optimise the above process operations, a key step is to understand powder kinematics behaviour (flow fields, mixing patterns etc.) to enable efficient process design and control. There has been considerable work reported in the literature to characterise the powder flow behaviour during mixing under various process conditions [e.g. 1-3]. However, it is difficult to obtain an insight to the internal flow field during mixing processes and to address the kinematic behaviour of powders using experimental approaches, particularly at large scales. Most experimental measurements of internal flow are based on Positron Emission Particle Tracking (PEPT) and are suitable for smaller scales [3-4]. The capability to model mixing process in mixers
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using Distinct Element Method (DEM) has grown in relation to computing power. It is now possible to simulate complex equipment geometries. However, computer power is still inadequate for simulating full populations of particles (millions and billions). A number of researchers have considered the use of larger particles in the simulations to reduce the particle number and simulation time [5-7], whilst in some cases the properties of large particles are being calibrated [6]. However reliability of this method in terms of predicting actual powder flow characteristics remains a fundamental question and needs to addressed. The work here is an effort to compare the powder flow predicted by from DEM with experimental data. Here, a 6 litre Forberg commercial batch paddle mixer is used as the subject of investigation. In a separate study the internal powder flow dynamics of the mixer was investigated using PEPT measurements under various process conditions, i.e. fill level, impeller rotation speed and particle density, at the University of Birmingham [8], providing experimental validation for the model. The modelling results are compared with PEPT data in terms of the particle velocity distribution. MODEL SET-UP For analysis of flow field of the mixer, the EDEM computer code developed by DEM-solutions is used as it is capable of generating complex geometries, i.e. vessel and the impellers. Particle motion in the mixer has been analysed to determine the granular dynamics, and in particular to identify the velocity field. A 3-D representation of the mixer is created using a CAD software and is imported into the EDEM computer code (Fig. 1a). As it can be seen, the mixer consists of two intersected semi-cylinders of the same span and two counter-rotating impellers, each with 10 paddles positioned pair-wise along 5 axial positions. Particles are generated randomly at spatial locations above the impellers (the position shown in Fig. 1a). In the current simulations the Hertz-Mindlin model is considered for the normal and tangential interactions and at this stage the powders are considered to be non-cohesive. This is because the experimental work using PEPT are carried out on dry, free-flowing particles. The schematic flow field inside the paddle mixer simulated by DEM is shown in Fig. 1b.
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Position of particle generation
Impellers
(a)
(b)
Fig 1. The imported geometry (a) and the schematic flow fields (b) inside the paddle mixer simulated by DEM. Due to the limitation of computer power, it is not possible at this stage to simulate the actual number of particles inside a 6l mixer (around 50 millions) within a reasonable time. Therefore the simulation should be carried out with smaller number of particles using larger particles. When larger particles are used in the simulations, densities are adjusted to maintain a similar momentum exchange between particles in DEM [6]. However, it is essential to elaborate the effect of this simplifying assumption on the dynamics of powders inside the mixer by simulation. Therefore, initially the sensitivity of powder dynamics on the particle size was analysed in this work. Systems with various particles sizes (Table 1) were simulated and their particle dynamics in terms of time averaged particle velocity were compared. Simulation Case Particle diameter (mm) Total particle number Net simulation time for 10s real time (hrs) A 11.40 7,000 3 B 7.20 15,000 6 C 4.52 60,000 54 D 2.26 500,000 580
Table 1. The modelling parameters for the sensitivity analysis on particle size.
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The steady state average velocity as a function of particle size is presented in Fig. 2 and it can be seen that it slightly decreases as the particle size is reduced. This analysis shows, although the average particle velocity is indeed sensitive to the particle size, the effect is not very significant. For the simulation of powder flow in the mixer under various process conditions (corresponding to the available experimental results) it is essential to use a modelling system which produces results in a reasonable time (e.g. in this work to be less than a week). Therefore the modelling conditions of case C, i.e. particles with 4.52mm size, were used in further simulations.
Average Normalised Velocity (m/s)
0.5 0.45 0.4 0.35 0.3 0.25 0.2 0.15 0.1 0.05 0 0 2
Actual particle size
y = 0.0089x + 0.3591 R2 = 0.9875
6 Size (mm)
10
12
Fig 2. Steady state average particle velocity as a function of particle size. For the simulation under various process conditions, spherical particles, were generated in similar way to the previous section. After reaching a stable particle bed the mixer model was activated, running at various process conditions, i.e. different impeller speed, fill level, and particle density. For confidentiality reasons it is not possible to disclose the impeller rotational speeds. Real-time simulations lasted for up to 10 seconds. Simulation conditions were selected based on available experimental data from PEPT, with the exception that experiments were done with finer particles (D50 < 1 mm) and a broader size distribution. For the experimental work, the PEPT facility of the University of Birmingham (Birmingham, UK) was used to track particle motion. The principles of the PEPT technique and its capability can be found elsewhere [8].
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RESULTS AND DISCUSSION The time-averaged normalised velocity distribution obtained from DEM analysis is compared with that from PEPT measurements in Fig. 3a for a representative process condition. The DEM model predicts a smooth distribution of particle velocities while the PEPT data show more scatter or fluctuation in the frequency plot. Potential explanations for this difference could be attributed to the particle size discrepancies and/or the sampling method: PEPT analysis is based on data from only one particle, i.e. the tracer, while the DEM results consider the velocity profiles of the full population of particles in the simulation. Overall there is reasonable agreement in the velocity distribution.
(a)
(b)
Fig 3. Quantitative comparison between the DEM simulation and PEPT measurements for particle velocity distribution (a) and average speed (b). The results of the average particle velocity, normalised to paddle tip speed, are compared across a range of process conditions including fill level, impeller speed, and particle density in Fig. 3b; predicted speeds from DEM are plotted on the abscissa and PEPT results on the ordinate. While there is consistent trend, the average speeds simulated in DEM are systematically lower than the PEPT measurements over the range of conditions tested. However, this is in contradiction with our expectations, as it can be seen from Fig. 2. A higher average velocity is expected for DEM simulations as the particle size in the simulation is significantly larger that real particles size. A number of reasons could contribute to the sys-
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tematic differences observed between the simulations and measurements. One reason could be due to the single tracer particle sampling method used by PEPT, discussed earlier. For a precise evaluation, the results of PEPT should be compared to those of a single representative particle in DEM, for which longer simulations (more than 15 minutes in real time) are required. Particle shape could be another factor the current simulations consider spherical particles while particles in the experimental study have somewhat irregular shapes. Any and all of the above are good topics for future work. CONCLUSIONS The powder flow inside a paddle mixer has been simulated using DEM. The simulation results are compared with experimental measurements using PEPT. Quantitative comparison of PEPT measurements and DEM analyses shows reasonable agreement in terms of velocity distribution. There is a minor but systematic difference between DEM and PEPT time-averaged velocities compared over a range of process and material conditions. DEM modelling provides useful information in understanding of dynamics of particulate processes which is otherwise difficult to measure by experiment, e.g. flow fields within mixing equipment. REFERENCES 1. J. Bridgwater, Pow. Tech. 15, 215236, 1976, 2. P.M. Portillo, M.G. Ierapetritou, F.J. Muzzio, Pow. Tech. 82, 368378, 2007. 3. B.F.C. Laurent, J. Bridgwater, AIChE. Journal 46, 17231734, 2000. 4. B.H. Ng, C.C. Kwan, Y.L. Ding, M. Ghadiri, M., Z.F. Fan, Chem. Eng. Sci. 62(3), 756-765, 2007. 5. Y. Sato, H. Nakamura, S. Watano, Pow. Tech. 186, 130136, 2008. 6. A. Hassanpour, C.C. Kwan, B.H. Ng, N. Rahmanian, N., Y.L. Ding, S.J. Antony, X.D. Jia, M. Ghadiri, Pow. Tech. 189, 304312, 2009. 7. A. Sarkar, C.R. Wassgren, Chem. Eng. Sci. 64 (11), 2672-2682, 2009. 8. D.J. Parker, R.N. Forster, P. Fowles, P.S. Takhar, Nuclear Instruments and Methods in Physics Research A 477, 540-545, 2002.
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PREDICTION OF PARTICLE BREAKAGE IN AGITATED DRYERS: A COMBINED DEM AND EXPERIMENTAL APPROACH
Colin Hare, Mojtaba Ghadiri
Institute of Particle Science and Engineering, SPEME, University of Leeds, Leeds, LS2 9JT
During agitated drying of particles shear deformation leads to breakage and results in a poor product. The rate and extent of this breakage is difficult to predict and control. This paper aims to elucidate breakage rates in agitated contact dryers using a small quantity of pharmaceutical material to analyse breakage rates in a shear cell. This is combined with an estimation of the shearing conditions in the dryer using DEM to predict breakage rates. The prediction compares well with experimental results, and captures the independency of impeller rotational speed. Further development of this work will include shear cell and dryer operations under dryer conditions; elevated temperature and humidity, and the presence of liquid in the bed.
INTRODUCTION After crystallisation, pharmaceutical particles have to be dried. A common approach is to use an agitated vacuum filter dryer. Whilst the material is dried the bed is rotated to prevent the occurrence of hot-spots. However this agitation leads to shear deformation which subsequently leads to breakage. Breakage of particles can lead to waste material, downstream processing problems or even dust explosions. Prediction of the breakage that will occur under these drying conditions is therefore desirable prior to industrial production. In order to predict breakage occurring in the dryer the influence of the stress, strain and strain rate needs to be considered. The method used here is to estimate the stress and strain rate distributions in the dryer using the Distinct Element Method (DEM). The extent of breakage occurring in a shear cell under a range of
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stresses and strains is quantified and applied to the above results of the DEM simulations to predict attrition. ATTRITION UNDER SHEAR DEFORMATION The attrition shear cell, introduced by Paramanathan and Bridgwater [1] has been used extensively to assess particle breakage under well-defined shearing conditions [2-4]. After shearing the breakage of material is assessed. The most commonly used method is that of Neil & Bridgwater [3].
W K N ref
(1)
Where is the stress applied to the bed, ref a reference stress, total strain and KN, and are fitting parameters. Paracetamol particles with a sieve size of 500 600 m are placed into the cell up to a bed height of 3.5 mm to provide a bed height of approximately 6 particles; roughly the width of a shear band [5]. The lid is lowered onto the bed to provide a normal stress and the cell is rotated to achieve a desired level of strain. After shearing the material is sieved through a (355 m) sieve that is two standard sieve sizes below the feed size to establish the percentage of broken material [6]. This procedure is carried out for shear stresses, , of 0.1, 0.6, 1.0, 1.6 and 2.1 kPa and strains of 30, 60, 120 and 240, shown in figure 1. 10 W = 0.53[(D/ref).1.28]0.46
0.1 0.1 1 (D/ref). 10 100
Figure 1. Attrition in the shear cell
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The lower stresses are achieved by using a pulley-counterbalance system. Equation 1 is applied to the attrition data, as shown in Figure 1. This is then coupled with the estimation of stresses and strain rates in the dryer to provide a prediction of attrition. ATTRITION IN THE DRYER A small-scale dryer is used here. The vessel is cylindrical with a diameter of 94 mm and contains a vertical-axis, double-bladed, retreat-curve impeller with a diameter of 90 mm, a blade height of 18 mm and a blade angle of 60o to the horizontal plane. The attrition of 500 600 m Paracetamol particles in this vessel is quantified using the same method as in the shear cell for a bed height of approximately 55 mm, impeller speeds of 20, 45 and 78 rpm, and rotational times of 5, 20 and 80 minutes, as shown in figure 3. ESTIMATION OF STRESSES AND STRAIN RATES IN THE DRYER DEM is used to obtain an estimate of the distribution of stresses and strain rates in the small-scale dryer. The Paracetamol particles are represented by spheres with a median size of 3 mm. The span of the size distribution is equal to that of the experimental Paracetamol. The particles have sliding and rolling friction coefficients of 0.5 and 0.1 respectively. This results in an average torque that corresponds well with the experimental value. After 2 impeller rotations the torque is consistent and the bed has reached steady state. Throughout the following complete rotation the stresses and strain rates in a sector of the bed (figures 2a-c) are analysed at approximately every 1o of rotation. This analysis sector is divided both radially and vertically into measurement regions of equal volume (figures 2i-iii). The deviatoric stress, D, in a given measurement region is calculated from the normal stresses [7] (eq 2). The average velocities in the direction of impeller rotation, v, on the vertical and radial boundaries of each measurement region are obtained to give the strain rate [7] (eq 3). The deviatoric stresses and strain rates are obtained for each measurement region at each measurement interval.
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a) 25o
b) 10o
c) 40o
i) 3 x 3
ii) 4 x 4
iii) 2 x 2
Figure 2. Measurement sector (a-c) and region division (i-iii) arrangements
xx
yy xx zz yy zz
2 2
6
1 v v v 2 r r z
2 2
(2)
(3)
A sector size of 25o and region division of 3 by 3 measurement cells were chosen primarily as this leads to 4 8 particle diameters in each dimension for the 3 mm particles, and so approximates the width of a shear band well. ATTRITION PREDICTION The stress and strain rate distributions throughout the dryer bed obtained from DEM are combined with the analysis of attrition as a function of stress and strain established in the shear cell to predict attrition,
W1 K N c ,n c ,n 1 1 ref
c n
n n 1 c n n Ac 1 1 1
(4)
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where is the mass fraction in cell c at interval n,
c ,n c ,n dt
tA
tB
(5) (6)
c ,n c ,t c ,t / 2
A B
tA and tB are the time at the start and end of interval n respectively. As the stresses and strain rates are considered not to deviate significantly for subsequent impeller rotations, the predicted attrition after N rotations,
c WN Ac N R A N R 1
3.5 3 2.5 2 1.5 1 0.5 0
Exp - 20 rpm Exp - 45 rpm Exp - 78 rpm eq.7 - 25 3x3 eq.7 - 25 2x2 eq.7 - 25 4x4 eq.7 - 40 3x3 eq.7 - 10 3x3
(7)
Attrition, W (%)
2000 4000 6000 Number of Rotations, NR (-)
8000
Figure 3. Experimental and predicted attrition in the small-scale dryer The predicted attrition using this approach is shown in Figure 3. The initial sector size and region division (a,i) provide a good estimate of the attrition occurring in the dryer. Increasing the measurement cell division (a,ii) or reducing the sector size (b,i) results in a smaller cell size, so the stresses and strain rates obtained approach that of a single particle, the predicted attrition is therefore increased. A reduction of the cell division (a,iii) or increase in the sector size (c,i)
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leads to a reduced resolution of the bed, and so the influence of the higher stress regions at the base of the dryer is not captured and the predicted attrition is reduced. In all cases the simulations were carried out at 20, 45 and 78 rpm, and the attrition was predicted to be independent of impeller speed (not shown here) which corresponds well with the experimental results in Figure 3. CONCLUSION A method for predicting attrition in agitated dryers by analysing the influence of stress and strain on the attrition of Paracetamol in a shear cell, and combining this with an estimation of the stresses and strain rates in the dryer using DEM, was developed. The prediction compares well with the extent of attrition measured experimentally at a range of rotational speeds and rotation times. The size of the measurement region chosen in the DEM affects the predicted attrition; each region should be comparable in size to a shear band in the shear cell. The extent of attrition occurring in the dryer is independent of the impeller speed in the range tested. ACKNOWLEDGMENTS Financial support from the Engineering and Physical Sciences Research Council and GlaxoSmithKline are greatfully acknowledged. REFERENCES 1. Paramanathan, B.K., Bridgwater, J., 1983, Chemical Engineering Science, 38 (2), 197-206. 2. Ouwerkerk, C.E., 1991, Powder Technology, 65, 125-138. 3. Neil, A.U, Bridgwater, J., 1994, Powder Technology, 80, 207-219. 4. Ghadiri, M., Ning, Z., Kenter, S.J., Puik, E., 2000, Chemical Engineering Science, 55, 5445-5456. 5. Neil, A.U., 1986, PhD thesis, University of Birmingham, UK. 6. Kwan, C.C., Chen, Y.Q, Ding, Y.L., Papadopoulous, D.G., Bentham, A.C., Ghadiri, M., 2004, European Journal of Pharmaceutical Science, 23, 327-336. 7. Luding, S., 2008, Particuology, 6, 501-505.
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SIMULATION OF THE CONFINED COMPRESSION TEST OF IRON ORE PELLETS USING RANDOM DISTRIBUTED 3D MULTI PARTICLE FINITE ELEMENTS
Gustaf Gustafsson, Hans-ke Hggblad
Lule University of Technology, Division of Solid Mechanics
In this work, a multi particle finite element model is used to simulate the axial compression of iron ore pellets inside a steel cylinder. Each individual pellet is discretized with a 3D finite element mesh. From experiment, the load, displacement and the circumferential strain are measured. Experimental results are compared with simulation results.
INTRODUCTION Numerical simulation of the compaction of granular materials is an area of active research. One approach is to use deformable discrete elements of the individual particles using a 2D finite element (FE) mesh, see e.g. [1] and [2]. In this work, the axial compression of iron ore pellets inside a steel cylinder is studied and the individual particles are discretized with a coarse FE mesh in 3D. SINGLE IRON ORE PELLET Iron ore pellets are fine particles of ore that has been rolled and sintered to centimetre-sized irregular bodies. They are produced in two varieties: blast furnace pellets and direct reduction pellets. This study handles the blast furnace pellets.
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Experimental two point loading between parallel punches of 18 random chosen pellets were performed in order to characterize the load displacement behaviour of the iron ore pellets. The pellets were gathered into four groups of different sizes; see Table 1. Each pellet was loaded and unloaded in a cyclic increasing manner until failure, see pictures from a test in Fig. 1. Group/No of samples 1/2 2/3 3/8 4/5 Mean mass [g] 2.22 2.49 3.07 3.58 mean [mm] 10.32 10.96 11.59 12.22 Distribution [%] 11.1 16.7 44.4 27.8
Table 1. Experimentally tested iron ore pellets.
Fig. 1. Iron ore pellet. Picture before and after failure. FE mesh, configuration 1 and 2. Finite element models corresponding to the four different experimental groups were simulated. Each of the four models were meshed with 54 eight-node elements, see Fig. 1. As the pellet has an irregular shape, the load displacement response is depending on the orientation of the pellet in the test rig. Therefore, the finite element simulations were carried out on two extreme orientations of the same pellet, configuration 1 and 2, see Fig. 1. An elastic plastic material model with linear hardening was used. The Youngs modulus, E, the plastic hardening modulus, H, and the yield stress, y, were adjusted to fit the experiments. Poissons ratio, , is assumed similar to metals. Material parameters for the finite element models are; density, = 3700kg/m3, E = 94GPa, =0.29, H=3.5GPa and y=1MPa. In [3] a formula for deriving the tensile stress from the applied load in a
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two point loading situation is derived, see equation 1, where St is the tensile stress, F is the applied load, and r is the half distance between the loading points.
St = 1.4 F 2 r 2
(1)
Results from the experiments and simulations are shown in Fig. 2. The tensile stress versus the displacement divided by the diameter of the specimens is plotted.
30 25 20 St [MPa] 15 10 5 0 0
St [MPa]
mean = 10.32 mm Specimen 1 Specimen 2 FE, config 1 FE, config 2

30 25 20 15 10 5 0 0
mean = 10.96 mm Specimen 1 Specimen 2 Specimen 3 FE, config 1 FE, config 2
0.01
0.02 /D
0.03
0.01
0.02 /D
0.03
30 25 20 St [MPa] 15 10 5 0 0
mean = 11.59 mm Specimen 1 Specimen 2 Specimen 3 Specimen 4 Specimen 5 Specimen 6 FE, config 1 FE, config 2
30 25 20 St [MPa] 15 10 5 0 0
mean = 12.22 mm Specimen 1 Specimen 2 Specimen 3 Specimen 4 FE, config 1 FE, config 2
0.01
0.02 /D
0.03
0.01
0.02 /D
0.03
Fig. 2. Tensile stress versus the displacement divided by the diameter. Experiment and simulation. Group 1 to 4.
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CONFINED COMPRESSION TEST Experiment and simulation of iron ore in a confined compression test were performed. The LS-DYNA non-linear finite element software [4] was used for the simulations in this work. The experiment consists of an upper and lower punch of thick circular steel plates surrounded by a steel cylinder as seen in Fig. 3. Iron ore pellets are placed inside the cylinder to a height of 305mm. Total mass of iron ore pellets is 46.0kg. An axial load is applied to the lower punch. Measured data are the force and displacement of the punch. Strain gauges are measuring the circumferential strain in the middle of the steel membrane.
Fig. 3. Experimental setup. The multi particle finite element model of the confined compression test is a quarter-model of the real experimental setup. In this simulation, 4290 discretized rigid particles of four sizes with the distribution given in Table 1 are representing the iron ore pellets in the model. The filling height is 305mm and corresponding mass 38.5kg. The rough surface of the iron ore pellet motivates a friction coefficient between the particles of 0.6. Friction coefficient between particles and wall is set to 0.1. The punches are considered rigid in the simulation and the membrane is modelled with thin elastic shell elements. The compression is simulated in two steps. The iron ore pellets models are randomly sparse placed the cylinder. In the first step, a gravity driven simulation is carried out where the pellets are arranged
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in the cylinder. In the second step, the compression is simulated by a prescribed displacement of the upper punch. The steps are seen in Fig. 4.
Fig. 4. Multi particle finite element simulation. From left: initial arrangement, arrangement after gravity simulation and at maximum load. Results from experiment and simulation are seen in Fig. 5, where the axial forces versus the displacements are plotted.
140 120 100 Fax [kN] 5 10 15 20 25 Fax [kN] 80 60 40 20 0 0 140 120 100 80 60 40 20 0 0
[mm]
10
[mm]
15
20
25
Fig. 5. Left: Experimental data, force versus displacement. Right: Simulation data, force versus displacement.
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DISCUSSION AND CONCLUSION In this work, experiments and simulations of the mechanical behaviour on both single and multiple iron ore pellets are performed. The single pellet simulations show good agreement with experimental results. A multi particle finite element model is used to simulate the axial compression of iron ore pellets inside a steel cylinder. A comparison between experiment and simulation shows that the simulated response is softer than the experimental. An explanation is the difference in packing density (mass in experiment 46kg and simulation 38,5kg). A more detailed measurement of the size distribution and larger number of sizes in the simulation will increase the packing density resulting in a stiffer response. Another uncertainty is the frictional behaviour between the particles. ACKNOWLEDGMENTS The financial support from Hjalmar Lundbohm Research Centre (HLRC), LKAB and Lule University of Technology are gratefully acknowledged. REFERENCES 1. A.T. Procopio, A. Zavaliangos, Simulation of multi-axial compaction of granular media from loose to high relative densities, Journal of the Mechanics and Physics of Solids, 53, 1523-1551, 2005. 2. D.T. Gethin, R.S. Ransing, R.W. Lewis, M. Dutko, A.J.L. Crook, Numerical comparison of a deformable discrete element model and an equivalent continuum analysis for the compaction of ductile porous material, Computers and Structures, 79, 1287-1294, 2001. 3. Livermore Software Technology Corporation, LS-DYNA keyword users manual, version 971, Livermore Software Technology Corporation, 2007. 4. Y. Hiramatsu, Y. Oka, Determination of the tensile strength of rock by a compression test of an irregular test piece, Int. J. Rock. Mech. Sci., 3, 89-99, 1966.
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ON APPLICATION OF SYMBIOTIC CELLULAR AUTOMATON METHOD FOR SIMULATION OF THE MECHANICAL RESPONSE OF LIGNITE
A.V. Dimaki, E.V. Shilko, A.I. Dmitriev, *S. Zavsek, *J. Pezdic, S.G. Psakhie
ISPMS SB RAS, Akademicheskii av. 2/4, Tomsk, Russia, 634021 *Velenje Coal Mine, Partizanska 78, Velenje, Slovenia, 3320
The symbiotic cellular automaton method, which combines two discrete approaches to describe the simulated media the method of classical cellular automaton and method of movable cellular automaton, has been developed for numerical study of heterogeneous materials. The paper describes the developed method and the results of its application to study of the mechanical response of lignite specimens under uniaxial loading in carbon dioxide atmosphere. It is shown that the presence of adsorbed gas and the external gas pressure can produce a significant impact on the mechanical response of lignite.
INTRODUCTION The presence of adsorbed gas in the coal seam produces a significant influence on the mechanical behavior of rock [1]. At the present time, the adsorbed gas is often considered as the reason of instantaneous outbursts of large quantities of crushed coal, which constitutes a danger to human life and complicates the technological process. From the beginning of the production of Velenje lignite the protection from instantaneous outbursts of coal is actual problem. One of the ways of solution of
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this problem is the computer-aided simulation of the behavior of rock within the natural conditions. In the paper the symbiotic cellular automaton (SCA) method is described, which represents the development of movable cellular automaton (MCA) method by means of introducing an additional layer of classical cellular automata into the computational region [2]. Within this layer the simulation of the behavior gas phase is carried out. We use simple phenomenological relations for description as the effect of the gas phase on the mechanical response of lignite as sorption processes. The simulation of the high-pressure sorption of gas in the lignite shows the good compliance between simulation results and experiments. The possibilities of SCA to study the behavior of the coal seam are demonstrated within the modeling of uniaxial loading of lignite in the CO2 atmosphere. DESCRIPTION OF SYMBIOTIC CELLULAR AUTOMATA METHOD In the framework of SCA method the investigated medium is considered as a superposition of two interrelated media (Fig. 1a). One of them is described by a set of movable cellular automata [2,3] and another by a mesh of classical cellular automata [4]. The step of calculation consists of two main substeps, first of which is the step of the MCA model, called as mechanical step, and the second, called as net step, is the step of CA model. Description of the mechanical step. At this substep the mass transfer in solid phase under the mechanical loading is considered by means of solving of the motion equations of movable automata. MCA approach represents the simulated medium as an ensemble of interacting finite size elements (automata) [2,3]. The movable cellular automaton is an object of finite size, possessing translational and rotational degrees of freedom. Within the MCA approach a many-body interaction is used. Also, we introduce the new type of state the state of a pair of automata, that leads to a new parameter defining the criteria of switching of the interautomata interaction the automata overlapping parameter: hij = rij roij (Fig. 1b). In the simplest case there are two states of the pair: linked (hij < hijmax) and unlinked (hij > hijmax). The linked state is indicative of chemical bonds between elements and the unlinked state indicates that there is no chemical bond between them.
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a) b) Fig. 1. a) Layers of movable and classical cellular automata; b) Definition of automata overlapping parameter. We use the piecewise-linear approximation of real stress-strain dependence in order to reproduce the mechanical response function of automata. In order to take into the account the damage generation at a scale level lower than automaton size, the degradation response function can be used [2,3]. Description of the net step. Next for the mechanical net substep is performed on the CA mesh. At this substep the process of mass transfer of gas in the pores and channels is considered, as well as the values of the forces acting on the movable cellular automata from gas phase are calculated [5]. The configuration of pores and channels through which gas propagates, is projected to the CA mesh from the MCA layer. This symbiotic approach combines solutions for mechanical and gas dynamic problems and allows description of multiphase heterogeneous media. In the present model, the Mendeleev-Klapeyron equation is applied to describe the state of gaseous phase. We use two types of sorption processes on the boundaries between solid material and pores: adsorption and desorption of gas, which are considered as independent and are described by the following linear equations:
I ads = ads ( max solid ) env , I des = K des ( solid min ) , solid solid
(1)
where ads adsorption intensity coefficient; Kdes is the desorption coefficient, env is the concentration of the gas in the atmosphere; solid is the concentration
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of the gas in solid; min and max are the minimal and maximal possible solid solid concentrations of gas in solid, consequently. The presence of gas in the pores as well as in the bulk of material leads to appearance of additional forces acting on the solid surface and causing the growth of internal stresses in solid. The total force, acting from the surrounding gas, applied to the centre of mass of movable automaton, is written as follows [5]:
surf gas Nk Na r gas r Fk = S Pb nba ,
a =1 b =1
(2)
where the index a enumerates the surface classical cellular automata, which are belonging to k-th movable automaton, the index b enumerates the CCA, which are bordering with surface a-th CCA, Pb gas pressure in the volume of the r CCA b; nba a vector of normal to the contact square between the b and a CCA; S contact square of CCA. SIMULATION OF FRACTURE OF DETRITUS IN THE ATMOSPHERE OF CARBON DIOXIDE To demonstrate the possibilities of SCA method and its applicability for describing the porous solid gas medium, a series of calculations were made. In these calculations the effect of the CO2 on the mechanical response and the failure of the samples of fine detritus was studied. Mechanical properties of fine detritus and xylite inclusions were used as given in [5]. The response and failure of fine detritus under uniaxial compression in the CO2 atmosphere and in vacuum were simulated. Size of specimens was 5x10 cm, loading rate was V = 0.02 m/sec (Fig. 2a). In the absence of CO2 atmosphere first crack appears in specimen when the strain is 1.23% (Fig. 2b). In the presence of the gas the crack is formed within the deformation 1.26%. Complete destruction of the sample in vacuum occurs by means of the formation of a crosscutting diagonal macrocrack. This corresponds to a deformation ~1.35%. The destruction of the sample under 1 bar pressure occurs by the formation of vertical cracks within the deformation 1.45%.
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Thus, little increasing of gas pressure from 0 to 1 bar resulted in an increase of strength and ultimate strain of specimens at 25% without a noticeable change in Young's modulus. Also, the fracture pattern of specimens has undergone some changes. The results suggest that even relatively low atmospheric pressure is able to exert some influence on the response and the fracture of materials having relatively low strength.
a) b) Fig. 2. a) Scheme of mechanical loading of simulated specimen; b) Response of lignite specimen at the beginning of failure (inset shows total loading diagram). CONCLUSION The approach, describing the behavior of heterogeneous medium under external influence, is proposed. This approach, called as SCA method, represents the combination of methods of classical and movable cellular automaton. Verification of this approach was carried out by means of comparison of the results of modeling of the samples of fine detritus in the CO2 atmosphere with the results of experimental studies performed by researchers of Velenje coal mine (Faculty of natural sciences and engineering, University of Ljubljana, Slovenia) [6]. These results demonstrate a qualitative agreement between model and experimental data. It is clear that the proposed approach does not cover the entire spectrum of processes in such a complex system like a multiphase heterogeneous medium. In particular, the developed model does not take into account the filtration processes,
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the phase transitions etc. In addition, since the simulated physical processes have different (several orders of magnitude) characteristic times, within the framework of the proposed approach it is possible to simulate only the first few seconds. Furthermore, we use a 2D approximation of the simulated object. Of course, these restrictions greatly influence the outcome of the numerical study. Nevertheless, proper selection of model parameters allows obtaining good agreement with the results of natural experiments. This demonstrates the correct formulation of the problem and qualitatively correct description of the basic processes occurring in the system. Further directions of development of the method are the introduction to the model the state equation for non-ideal gas, which is important for realistic CO2 simulation, as well as the possibility of modeling filtration processes in porous solid body. REFERENCES 1. B. Beamish, P. Crosdale, Instantaneous outbursts in underground coal mines: An overview and association with coal type, International Journal of Coal Geology, No.35, 2755, 1998. 2. S.G. Psakhie etc., Movable cellular automata method for simulating materials with mesostructure, Theor. and Appl. Fracture Mech., No.37, 311-334, 2001. 3. E.V. Shilko etc., Development of Movable Cellular Automaton Method for Simulation of Deformation and Fracture of Heterogeneous Elastoplastic Materials and Media, Proc. Int. Conf. Particles 2009, 349-352, 2009. 4. S. Wolfram, Theory and applications of cellular automata, New Jersey: World Scientific, 1986. 5. S. Zavsek etc, Computer-aided investigation of response and fracture of lignite using MCA method and symbiotic cellular automata approach, Proc. Int. Conf. on New Challenges in Mesomechanics, 19-25, 2002. 6. J. Pezdic etc., Laboratory simulation of adsorption-desorption processes on different lignite lithotypes from the Velenje lignite mine, RMZ Materials and Geoenvironment, 46, No.3, 555-568, 1999.
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MODELLING FLEXIBLE MATERIAL USING EDEM: CALIBRATION AND INDUSTRIAL APPLICATIONS
Stephen Cole
DEM Solutions Ltd
The Discrete Element Method (DEM) is now being used for simulation and analysis of a wide range of particulate solids handling and processing operations in industry. The commercial DEM software package, EDEM, has a bonded particle model capability [1] that allows particles to be bonded together to form solid shapes. These solids are created by connecting discrete element spheres with flexible bonds. The bond strength and stiffness can be varied will allows the user to model a variety of different particle processes where particles can deform and break up due to interaction with surfaces or other particles. Bonds will resist normal and tangential forces and moments up to a predefined breaking stress. When load on a bond has exceeded predefined breaking stress the bond will break. Model predictions were validated against previously published data, with a view to define a range of material behavior that encompasses the observed material behavior during the experiments.
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INTRODUCTION The bulk behaviour of particulate materials is governed by the properties of the particles and their local interactions. DEM simulates bulk particle behaviour by modelling granular materials at the particle-scale, which enables linkage between particle properties and process conditions. A DEM model can directly model particle size distribution and shape, mechanical properties and surface-to-surface interactions. DEM accounts for momentum, mass and energy exchange between particles, and between particles and surrounding fluid, electromagnetic field and contacting equipment surfaces. Using the EDEM capability to generate flexible bonds between spheres, flexible material from small fibres and organic materials to steel beams and concrete structures can be simulated.
Figure 1. Left, analysis of sieve efficiency using flexible stalks. Right, investigation into structural collapse Figure 1 shows examples of flexible material flowing through a sieve during the harvesting process, the DEM simulation is used to analyst the efficiently of the sieve. The same technique at a larger scale using different input parameters can also be used to simulate failure and collapse of large structures.
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PARTICLE DEFINITION The commercial DEM software package, EDEM has the capability to generate multi-sphere particles; each sphere in a multi-sphere particle is rigidly joined to the neighbouring sphere(s), as shown in Figure 2.
Figure 2. Three-sphere multi-sphere particle The bonded particle model in EDEM can be used to generate flexible particles by bonding single sphere particles together with a flexible bond. This bonded structure is defined as a meta-particle (Figure 3).
Figure 3. Two alternative meta-particles with flexible joints In contrast to a multi-sphere particle, which is a rigid body, a meta-particle can flex and break. The flexibility and strength of a meta-particle depends on the number of spheres used and the strength of the bonds between the spheres. CASE STUDY: SAFFLOWER STALK Safflower seeds contain 30%-45% of oil; this oil can be used in biodiesel production. Information of the mechanical properties of the stalk can improve harvesting conditions and improve yield [2].
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The bending properties of the stalk detailed by O. Ozbek et al [2] were reproduced using the DEM Software EDEM. A three point bending test (Figure 4) was used to determine the bending stress and modulus of elasticity.
Figure 4. Experimental setup as detailed in O. Ozbek et al The same bending model was setup in EDEM to gather force-deflection data from the virtual stalk. Experimental results are shown in Figure 5.
Figure 5. Experimental results from O. Ozbek et al The moisture content and stalk diameter are seen to change the mechanical behaviour of the material. The simulation parameters were setup to re-produce this range of behaviour with bonded particle model. Figure 6 shows a slice through
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the centre of a virtual stalk under compression. Red shows areas of compression while blue colouring indicates areas of expansion.
Figure 6. A 6000 sphere stalk (half slice shown) during bending Each sphere is joined to its neighbours with a flexible bond; the bulk behaviour of the stalk is dependent on the individual properties of the bonds. The bond behaviour is controlled by 3 main parameters, the bond normal stiffness, bond shear stiffness and bond disk radius, which is defined as the radius of cylindrical bond between two spheres. A 27 simulation DOE was run with low medium and high values for each setup. The DOE produced a minimum Modulus of Elasticity of 10.5 MPa and a maximum of 552 MPa, encompassing the range of 100 MPa to 450 MPa seen experimentally. The DOE also indicated that the primary value that affected the elasticity was the bond disk radius, the second parameter was the normal stiffness and the third most important was the combination of the two values, it was therefore chosen to keep the shear stiffness constant (1e10 Pa) and vary the normal stiffness and bond disk radius. Figure 7 shows the response of the bending behaviour of a 7 sphere stalk with the two parameters varied. The required modulus of elasticity detailed in the surface plot can be mapped to the relevant moisture content of the stalk.
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Figure 7. Surface plot of Modulus of Elasticity v Bond Disk Radius and Bond Normal stiffness
CONCLUSION The required mechanical response of the safflower stalk can be directly attributed to the input to the EDEM model, allowing the DEM software to predict the behavior of the material under different operating conditions.
REFERENCES 1. Potyondy D. O. and Cundall P. A, A bonded-particle model for rock, International Journal of Rock Mechanics and Mining Sciences, 41, 1329-1364 (2004) 2. O. zbek, A. Y. Seflek, K. Carman, Some Mechanical Properties of Safflower Stalk, Applied Engineering in Agriculture. 25(4): 619-625, 2009
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DEM ANALYSIS ON PARTICLE BEHAVIOR IN THE COURSE OF SINTER MIXTURE CHARGING

Tsukasa Abe, Junya Kano, Masanori Nakano*)
Tohoku University, Graduate School of Environmental Studies *) Nippon Steel Corporation, Ironmaking R&D Lab
A DEM model for the charging apparatus of iron ore sintering has been developed and applied to the estimation of vertical size segregation in the bed of raw mixture. The model generated several results close to those obtained by the plant observation, which has proven the potential of the method for wider use regarding the segregation phenomena during charging.
INTRODUCTION Steelmaking industry releases 11% of the total CO2 emission in Japan. Most of the emission occurs in the course of ironmaking, the process of which consists of blast furnaces, coke ovens and sintering plants. The sintering plants make sinter from iron ores as the ferrous burden for blast furnace, burning cokes as fuel, which are preliminarily mixed by 4% with iron ores. The CO2 emission from the sintering machines amounts to 1% of the total. Sintering proceeds with heat wave descending across sintering bed due to the heat generation by coke combustion and heat transfer by down draft; the heat wave causes iron ores particles to partially fuse over 1200C and the consequent melt bonds the particles to mass. As an intrinsic manner, the heat generated in up-
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per layer is utilized in subsequent lower layer; therefore, coke content in the lower layer is potentially slashed comparing that in the upper layer. Charging process of the mixture into pallets of sintering machine helps to develop vertical segregation of coke concentration in the sintering bed from the uniform mixture of cokes and iron ores. Some amount of size segregation occurs naturally after the raw mixture flows over the sloping chute and settles on the slope formed by preceding ones, which results in the segregation of coke concentration, as the size of coke is smaller than that of ores. The technical issue was to intensify the segregation by modifying the charging appratus. Already many had been done with experimental apploaches1,2); however, little3,4) seemed to challenge them theoretically. Therefore, we aimed to apply DEM to the issue. DEM MODELLING The actual granules of sintering raw mixture are complicated in structure [Fig 1], consisting of a centered particle (>2mm) and adhering fine particles (<0.5mm) on it by water with lone particles of intermediate size (0.5~2mm) ; consequently, they are not rigid, but soft and sticky. For the DEM simulation, we simplified such granules to be single rigid spheres of three different sizes, neglecting their plasticity and reflecting their stickiness to their friction coefficents. The model particle sizes were set larger than actual in the interst of computing time. The structure of actual granules also made it difficult to measure the material parameters of particles used in the DEM simulation. Consequently, in this paper, we apply rough values of iron ore to the particle parameters. The detailed simulation condition of DEM is shown in Table 1. The DEM model of charging apparatus is shown in Fig 2. The dimension of charging apparatus followed that of Kimitsu No.1 sintering machine, Nippon Steel, except the length of pallet width. The actual was 1.3m ; the model was reduced to 30cm for saving the number of particles to execute.
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Fig 1. Schematic diagram of single granule.

Number of particle Diameter of particle Time step Density of particle Friction coefficient Particle-particle Particle-wall Youngs modulus Poissons ratio Rolling friction coefficient 0.7 0.7 0.0018 0.3 1.885 [-] [-] [GPa] [-] [-] 12524, 52774, 69419 30, 18, 12 1.0x10-4 3.2 [-] [mm] [s] [g/cm3]
Table 1. DEM simulation condition of DEM.
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4000
Hopper
4000
Drum Feeder Chute f 1300
Drum feeder speed Chute angle Pallet speed
3.79 45 3.18
[rpm] [deg] [cm/s]
1400
300 (depth) Unit: mm
Pallet
Direction of pallet movement
Fig 2. Schematic diagram of three-dimensional model of sinter charging. SIMULATION RESULTS The simulation runs for 60 sec. At 0 sec, all of the particles appeared in the hopper, and then went over the drum feeder and the chute into the pallet. At 60 sec, the execution terminated to evaluate the vertical size segregation of the particles in the range shown in Fig 3. Fig 4 shows a simulation result at 60sec. Fig 4a is for the particle movements where the colors means their sizes, showing that the coarser particles (red) ran further down than others over the slope of a sinter bed and lay at lower position in a sinter bed; on the other hand, finer particles (blue) lay at upper position. Fig 4b has numerically supported the observation, showing the distribution of the particle sizes across the sinter bed. The coarser particles are fewer, and finer are lot at higher position in the sinter bed. In the actual operation of sintering machines, such trends in size segregation are distinctively observed.
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The agreement between the actual and the model results suggests a possibility that the DEM simulation replicates the charging process of the mixture into pallets in terms of the size segregation of the particles.
Sampling position
Direction of transfer
Fig 3. Schematic diagram of sampling position in a sinter bed.

Sampling position h /mm
500-600 400-500 300-400

200-300 100-200 0-100 0% 20% 40% 60% 80% 100% 30 mm 18 mm 12 mm
(a)
(b)
Fig 4. Simulation results at 60sec: (a) a snapshot of the flow of the particles (red is 30mm, green is 18mm, and blue is 12mm), and (b) the distribution of the particle sizes across the height of sinter bed.
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CONCLUSION We applied DEM to the charging process of the mixture into pallets, and simulated well the particle behavior in terms of the vertical size segregation of the particles. Therefore, it is possible that the DEM simulation replicates the particle segregation phenomena in charging process qualitatively. Further we will re-adjust the material parameters of particles to promote accuracy of simulation and examine the effect of the chute angle and the feeding rate on the size segregation to seek the best machine condition under which the particle size segregation becomes most intensified. REFERENCES 1. K. Fukami, H. Itaya, F. Aratani, K. Nakanishi and H. Nishimura, A Study on the Particle Size Segregation in the Sintering bed Formed at the Feeding Stage of a Sinter Machine, Tetsu-to-Hagane, 71, No.16, 1888-1894, 1985. 2. T. Inazumi, M. Fujimoto, S. Kasama and K. Sato, Characteristic of Raw Mix Packed Structure on Sinter Strand with Chute Type Feeder and Its Effect on the Sintering Reaction, Tetsu-to-Hagane, 77, No.1, 63-70, 1991. 3. M. Nakano, Y. Hori, S. Nakano, E. Ide, S. Yoshinaga and Y. Hosotani, A Model Design for the Charging Apparatus of a Sintering Machine, Tetsu-toHagane, 82, No.11, 887-892, 1996. 4. P.A. Moysey, M.H.I. Baird, Size segregation of spherical nickel pellets in the surface flow of a packed bed: Experiments and Discrete Element Method simulations, Powder Technology, 196, No.3, 298-308, 2009.
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MODELING EMERGENCY EGRESS FROM A PUBLIC FACILITY

Gary A. Geissinger, Member, IEEE
Graduate Student, Colorado School of Mines
This study uses discrete element techniques to investigate how the urgency and politeness of patrons in a public facility can influence the time required to evacuate the facility. Patrons different weights, sizes, and maximum motion rates were modeled.
RELATED WORK Pedestrian motion and evacuation has been studied using a variety of techniques [1]. In the literature the approaches are generally considered to be either macroscopic or microscopic [2]. Macroscopic models deal with the average behavior of the pedestrians and are often based on partial differential equation based models. Microscopic models view pedestrians as independent agents. Discrete element methods (DEM) have been applied to model pedestrian flow in the past. Each pedestrian can be considered an independent agent [3] or the social forces between patrons can strongly influence behavior and motion [4] in groups. PATRON MODELING In this 2-D study each patron in an entertainment venue is considered an independent agent and is a member of a model patron set with member adults, senior citizens, and children each with different velocity, mass, and acceleration values. Without others in close proximity, maximum walking velocity of an adult patron
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is limited to 55 inches per second and is based on the assumed minimum rate at which a pedestrian can walk across an intersection [5]. The patron models include the work of Imms and Edholm who showed that the elderly tend to move more slowly with age [6]. The average walking rate for children 11 to 15 years of age is 30 inches per second is also included in the model [7]. Dimensionally patrons are modeled as ellipses using width and depth values from each patron model. It is assumed that a patron moves such that the depth is aligned with the motion vector and the width is normal to it. Jacobs concluded that people are more sensitive to maintaining personal space in front of themselves and with 6 to 8 square feet desired per person [8]. This spacing is assumed at minimal urgency and is decreased as urgency is increased. Patron seating is random within the venue and based on the population density for each model set. As this investigation deals with patrons leaving an area during an emergency, it was assumed that the force behind their motion should be proportional to their weight (i.e., the patrons throw their weight around to get out of the theatre). The more urgency a patron feels the more force is applied on a scale from 0 to 10 with corresponding forces from 0 to full body weight. For the purposes of this study patrons are in an open seating area and proceed to the closest exit; however, if a patron is located in a seating row, the direct vector is likely not the preferred motion orientation. Assuming that the patrons do not hop over the seats and change rows, motion will be down a seating row until an aisle is reached and then down the aisle to the exit. CATCHMENT MODELS The catchment models used for this study were taken from the 2000 International Building Code (IBC) 1008 and used as specified or as a point of departure for parametric evaluation [9]. The IBC models provide a consistent framework for study and are well documented. The current analysis allows for fixed seating, regular and emergency exits, and a level floor and aisles. The seating configuration of an airliner was also studied [10]. On commercial aircraft, due to the curved cross section of the fuselage, the aisles are not located down the sides of the seating areas. As a result a patron can become trapped if
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motion is toward the closest exit without regard for seats and other obstacles in the path. SIMULATION DESIGN The simulation is based on DEM techniques and was first modeled using Matlab and FORTAN. The final version was written in CodeGear C++ Builder 2007 in the Vista 64 operating environment. Each class of patrons is a different color: white for adults, magenta for children, and green for seniors. The exits are marked in red. A patron is removed from further calculation if determined to sufficiently close to an exit. TEST PARAMETERS Spring constant patron to wall/row A value of 10,000 for the spring constant gives a deformation of approximately 10% which seems reasonable for patrons. Spring constant patron to patron Once again a value of 10,000 provided about a 10% deformation in each patron. Coefficient of restitution - When human beings collide with either objects or other human beings the resultant velocity is very low; as a result the coefficient of restitution was set to 0.1. Velocity dependent drag - Once a patron is not motivated to move in a given direction, the velocity quickly decreases to 0. This is modeled using a velocity dependent drag coefficient that is set to 1.0. Update interval - As always there is a trade-off between fidelity and reasonable simulation execute rate. The recoil velocity is approximately 99% of the original value with an update increment of 500 microseconds. As a result a one millisecond update interval was used. SIMULATION RESULTS A catchment specified as IBC 1008.5.1.2 was first used to study politeness changes the time required to empty a catchment. Figure 1 shows that with just a few patrons, any politeness has no effect on the time required to clear the area. As
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the number of patrons increases, the impact of politeness becomes evident. In a fully occupied seating area it takes excessive time if all patrons are fully polite. The message there (not very politically correct) is that if one attends a packed seating area and there is an emergency, then being polite could impact your longevity.
Evacuation Time as a Function of Politeness
252 Patrons
Evacuation Time (s)
100
75 Patrons
25 Patrons
10 0.0
10 Patrons 5 Patrons 2.0 4.0 6.0 8.0 10.0
Politeness
Fig 1. Evacuation time as a function of politeness Another result shown in Table 1 flowed from comparing four emergency exit configurations of an IBC 1008 catchment.
Exit Configuration Single Exit in Rear Double Exit in Rear Single Exit in Rear, Dual Front Exits Double Exit in Rear, Dual Front Exits Evacuation Time 64.4 s 34.7 s 33.2 s 20.3 s
Table 1. Evacuation time as a function of exit configuration.
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In the case of deplaning after a flight, the usual scenario looks like Figure 2 with the passengers being polite waiting for the passengers ahead of them to deplane. In this case the politeness is set at 10. Figure 3 shows what happens when a flight arrives late; the passengers are not polite (set at 0) and jam the aisles.
Fig 2. Polite deplaning CONCLUSION
Fig 3. Late deplaning
Politeness impacts the rate at which patrons egress a facility. While children and senior citizens have different maximum walking rates, the simulations indicate that the actual rate at which patrons leave the facility is below that rate for all but the most sparsely populated catchments. Additional emergency exits as well as double wide exits can reduce the time to empty a facility by as much as a third. While developing the models and simulation, a number of shortcomings and future enhancements were identified. Patrons will likely move to an exit that will allow the fastest egress, not the closest exit. Some patrons will hop over rows of seats if the urgency is high enough. Some venues do not have clear sightlines to
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all exits and also can trap patrons who attempt the shortest path without regard for dead-ends. And finally there are cases where the obvious path may not be chosen as a less direct path may be an advantage. ACKNOWLEDGMENTS Id like to thank Dr. Graham Mustoe for his encouragement and guidance during this investigation. REFERENCES 1. E. Kuligowski and R. Peacock. A Review of Building Evacuation Models. Technical Note 1471, National Institute of Standards and Technology, 2005. 2. P. Kachroo, S. Al-nasur, S. Wadoo, and A. Shende, Pedestrian Dynamics. Springer, 2008. 3. M. J. Markowski. Modeling Behavior in Vehicular Pedestrian Traffic Flows. Dissertation, University of Delaware, 2008. 4. T. Lakoba, D. J. Kaup, and N. Finkelstein. Modifications of the HelbingMolnar-Farkas-Vicsek social force model for Pedestrian Evolution. In Simulation, Vol.81, 5:339-352, 2005. 5. Imms and Edholm. Studies of gait and mobility in the elderly. In Age Ageing, 10:147-156, 1981. 6. Prince F. et al, 1997. Gait in the elderly. In: Gait and Posture, Vol. 5, pp. 128135. 7. L. J. H. Schulze. Evaluation of cross-walk timing and the application of a standard crossing light timing formula. Texas A&M University. 8. R. Sommer, Personal Space. Bosko, 2007. 9. International Building Council. International Building Code 2000. IBC, 2000. 10. From web URL: http://www.united.com/page/middlepage/0,6823,1076,00.html
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IMPLEMENTATION OF A ROCK JOINT SHEAR STRENGTH CRITERION INSIDE A COMBINED FINITE-DISCRETE ELEMENT METHOD (FEM/DEM) CODE
Omid K. Mahabadi, Giovanni Grasselli
University of Toronto, Department of Civil Engineering
This manuscript discusses the implementation of the Giovanni Grasselli shear strength criterion for rock joints inside a combined finitediscrete element method code. The relevance of the criterion, its formulation, and application by a simple case study are presented.
INTRODUCTION In the past decades, researchers have attempted at estimating the shear strength of a rock joint or discontinuity. These efforts have led to the derivation of empirical rock joint shear strength criteria based on the joint wall strength parameters and the geometry of the joint, i.e. its roughness. These criteria were however limited in correctly quantifying the peak shear strength mainly due to the issues related to obtaining the required material properties and roughness. State-of-the-art digital and computational techniques have helped the researchers overcome many of these limitations, namely those related to assessing the joint roughness. Nowadays, high-accuracy laser and optical devices can produce precise digital representation of joint walls, ultimately facilitating the acquisition of the required roughness parameters.
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By the application of high-resolution, three-dimensional, digitized rock joint surfaces, (Grasselli and Egger 2003) proposed an empirical shear strength criterion, denoted as the Giovanni Grasselli (GG) shear strength criterion in this text. Based on the surface measurements, a number of statistical roughness parameters characterizing the joint wall can be derived. The GG-shear strength criterion was developed from the empirical correlation of these roughness parameters with laboratory testing data. This paper discusses the implementation of the updated GG-shear strength criterion (Cottrell 2009) inside a combined finite-discrete element method code (FEM/DEM), which is an expanded version of Y-code(Munjiza 2004). FORMULATION Peak shear strength. Cottrell (2009) recently modified the GG-shear strength criterion originally developed by Grasselli and Egger (2003). According to this new formulation, the shear strength of a rock joint or discontinuity (p) is given as
C 1 9 A p 1 e
* max n 0 t
B * max n tan b C 1
(1)
where max/[C+1] is the 3D roughness (average asperity angle) in the direction of shearing; max is the maximum apparent dip angle of surface; C is a dimensionless fitting parameter; n and t are the applied normal stress and tensile strength of the intact material, respectively; b is the basic friction angle; and B is a scale parameter which accounts for the measurement resolutions (i.e., 1.15 for the 0.044 mm points spacing) (Tatone, et al. 2010). Further discussion on the roughness parameters can be found in Tatone and Grasselli (2009). Post-peak behaviour. Once the peak strength of the rock joint is reached during progressive shearing, its strength decays hyperbolically towards a residual shear strength (r), given as:
r n tan r
(2)
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Page 3
where r is the residual friction angle, which is related to the basic friction angle (b) as (Grasselli 2001)
r b
(3)
where characterizes the contribution of roughness to the residual shear strength and falls in the 15 24 range (Grasselli 2001). The post-peak decay function for shear stress () is expressed as (when u u p )
r p r
up u
(4)
where u is the horizontal shear displacement and up the horizontal peak shear displacement. In his experiments, Grasselli (2001) found up = 0.27 ~ 0.65 mm. Implementation. The GG-shear strength criterion and the post-peak regime are implemented in the contact interaction algorithm of the FEM/DEM code. Details on this interaction algorithm can be found in Munjiza (2004). Eqs. (1)-(4) are used to modify the shear stress () calculated within the interaction code. Once the edge breaks, i.e. an actual discontinuity is formed, the GG strength criterion and the progressive frictional coefficient degradation is used. CASE STUDY: RESULTS AND DISCUSSION To demonstrate the application of the GG-shear strength criterion and to verify it, a simple example is presented here. The model, as illustrated in Fig. 1a, is a rectangle, 50 mm in width and 150 mm in height. The model was prepared using Y-GUI (Mahabadi, et al. 2010). Note that the bottom of the model is fixed. The model has a weak interface aligned at 45. The parameters for the GG-shear strength criterion are summarized in Table 1. As soon as the simulation begins, the model fails along this weak interface solely due to the application of gravity (Fig. 1b).
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Fig 1. a) Schematic of the model showing the location of the weak interface; b) model failed along the weak interface; c) normalized shear stress ( / n ) versus shear displacement (u) Fig. 1c portrays the normalized shear stress ( / n ) versus shear displacement (u) for the fracture formed due to the existence of the weak interface. This figure reveals that initially the shear stress of the joint is equal to its peak shear strength (p). As more shear displacement occurs, the shear stress that the joint can bear decreases hyperbolically until the residual shear strength (r) is reached.
A0
0.47 mm2 41.7 3.21 30.0 1.45 MPa
max
C
b
t
Table 1. GG-shear strength criterion parameters for the case study
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CONCLUDING REMARKS The GG-shear strength criterion, together with its peak and post-peak regimes, as well as its implementation inside our FEM/DEM code were discussed in this paper. The application and verification of the implementation were demonstrated in a simple case study. The example illustrated that as soon as a discontinuity surface, i.e. a joint, is formed, the right behaviour is observed according to the shear strength criterion. This new feature together with the inherent capabilities of the hybrid continuum-discontinuum method, makes FEM/DEM to be a suitable simulation tool for rock mechanics practices. ACKNOWLEDGMENTS The Y2D FEM/DEM code was originally developed by Antonio Munjiza from Queen Mary, University of London. Also, Tomas Lukass assistance during coding is appreciated. REFERENCES 1. G Grasselli, P Egger, Constitutive law for the shear strength of rock joints based on three-dimensional surface parameters, International Journal of Rock Mechanics and Mining Sciences, 40, No.1142, 25-40, 2003 2. B Cottrell, Updates to the GG-Shear Strength Criterion. M.Eng., University of Toronto at Toronto, 2009. 3. A Munjiza, The combined finite-discrete element method. Chichester, West Sussex, England ; Hoboken, NJ, John Wiley & Sons, 2004. 4. BSA Tatone, G Grasselli, B Cottrell, Accounting for the influence of measurement resolution on discontinuity roughness estimates. EUROCK 2010 -- Rock Mechanics in Civil and Environmental Engineering. Lausanne, Switzerland, A.A. Balkema, 2010 5. BSA Tatone, G Grasselli, A method to evaluate the three-dimensional roughness of fracture surfaces in brittle geomaterials, Review of Scientific Instruments, 80, No.Compendex, 2009
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6. G Grasselli, Shear strength of rock joints based on quantified surface description. PhD, Ecole Polytechnique Fdrale de Lausanne at Lausanne, 2001. 7. OK Mahabadi, G Grasselli, A Munjiza, Y-GUI: A graphical user interface and pre-processor for the combined finite-discrete element code, Y2D, incorporating material heterogeneity, Computers & Geosciences, 36, No.2, 241-252, 2010
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ISBN: 978-0-9551179-8-5 This guide has been produced by the Publications and Web Office Pub6469 for: The School of Engineering and Materials Science Queen Mary, University of London Mile end Road E1 4NS Tel: +44 (0)20 7882 8732 Fax: +44 (0)20 7882 3390 email: sems@qmul.ac.uk www.sems.qmul.ac.uk

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Simulations of Discontinua: Theory and Applications

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