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Micromechanics and computational modelling of building materials

Micromechanica en numerieke modellering van bouwmaterialen

Master course & Ph.D course


Microlab - Materials Science

Lecturers: Prof.dr.ir. K. van Breugel, Dr.ir. M.R. de Rooij, Dr.ir. E. Schlangen

List of Contents

Introduction In-depth materials science in the civil engineering: Why, what and how?

Part I Fundamentals of cement chemistry: Theory and experimental techniques


· Rheology: Interaction between particles and their influence on workability
· Cement chemistry
- Chemical reaction mechanisms and principles explained by following the hydration process
of C3S
- Changes in the reaction process due to silica fume, fly ash and slag
· Degradation mechanisms and transport:
· Experimental technique: Mercury intrusion porosimetry, calorimetry, NMR, PFM, ESEM, EDX

Part II Creating virtual microstructures by numerical modelling


Advanced models for hydration and microstructure of cement-based materials. Concepts and
algorithms. Model features and potentials

Part III Fracture mechanics


· Theory and observations in concrete fracture
· How to measure fracture?
· How to model it?
Msc and Ph D course CT5146 2 Micromechanics and Modelling

Introductory lecture

Lectures 1 & 2 In-depth materials science in the civil engineering: Why, what and how?
The most commonly used building materials in civil engineering are concrete, steel, brick, wood, asphalt
and polymer-based materials. These materials exhibit a wide variety of properties, ranging from fluidal,
viscous, elastic and plastic to highly brittle. These “engineering properties” can be found in codes,
textbooks and product sheets. What actually makes these materials behave as they do is determined by the
microstructure of these materials. The microstructural properties, on their turn, are determined by the
molecular structure, c.q. nanostructure of the material. Understanding the relationship between
engineering properties and nano- and microstructure opens the door for designing modified and new
materials by manipulating the microstructure.
In this introductory lecture the concept of “multi-scale” modelling is explained, i.e. the modelling of
materials properties on the subsequent length scales. The potential of multi-scale modelling will be
illustrated by examples from practice. A survey will be given of the knowledge required for successful
multi-scale modelling and the most challenging fields for this type of modelling will be listed.

Cement particles and fillers


(Sub-) microscale
Hardening cement paste

» 1 nm Microstructure and
pore structure
Nano- & microscale

CSH-gel
Nanoscale

Microcracking in cement paste


Microscale
Deterioration of
concrete structures
Meso- & macroscale

Cracking and debonding in


reinforced concrete. Micro- &
mesoscale

Multi-scale modelling: From sub-microscale to engineering (macro)scale


Msc and Ph D course CT5146 3 Micromechanics and Modelling

Part I

Fundamental of cement chemistry – Theory and experimental techniques

Lectures 3 & 4 Rheology; the magic behind mixing


Concrete needs to be mixed and placed, hence it requires a certain workability or slump. How much do we
know about this process? Is it all experience when water is added to a mixture to increase the workability
or can it be scientifically explained?
In two hours viscosity, particle interaction, zeta potential and the latest rheology models will be introduced
to explain e.g. the effect of water content, bleeding and the working principles of superplasticizers in
relation to workability.

Superplasticizers and cement grains to explain slump test behaviour.

Lectures 5, 6 & 7 Cement Chemistry


Welcome to the wonderful world of microns. In three hours we will go down to the level of atoms and
molecules to start building the concrete microstructure from scratch. The lectures will start with a short
recapture of high school chemistry for all. Then it is off to explain reaction processes, pore solution
changes, reaction speed, and the influences of slag, fly ash and silica fume from a chemistry point of view.
The lectures will be illustrated with electron microscope images.

The wonderful world of atoms as basis for microstructure formation.


Msc and Ph D course CT5146 4 Micromechanics and Modelling

Part I

Fundamental of cement chemistry – Theory and experimental techniques

Lecture 8 Degradation and transport


Keeping again close to the atom and molecule scale, in one hour the brake down of the microstructure is
covered at the atom scale. What does really happen with transport of chloride and corrosion of
reinforcement?

Examples of chloride-induced corrosion and alkali-silica reaction.

Lecture 9 & 10 Experimental techniques


What methods are available to the Microlab to study the material properties of concrete? Background
information and theory is given on mercury intrusion porosimetry, calorimetry, nuclear magnetic
resonance, polarized fluorescence microscopy, electron microscopy and energy disperse x-ray techniques.

Electron source

Magnetic lenses
Scan coils
Image
Detectors

Specimen

Specimen holder

Working principles explained of the ESEM.


Msc and Ph D course CT5146 5 Micromechanics and Modelling

Part II

Creating virtual microstructures for practical use

Lectures 11 & 12 Modelling of hydration and microstructures of cement-based systems


World wide, a small number of models for cement-based materials have been developed. A distinction can
be made between the pixel-based models and the sphere-based models. The main starting points of these
two types of models will be explained. It will be shown step by step which phenomena have been
considered and which have been ignored in these models. The consequences of decisions concerning the
level of detail addressed by the models will be dealt with. These consequences refer to both the reliability
of the model, i.e. the representativeness of the model, and the computation effort required for performing
the simulations.
The models that will be discussed in more detail are the pixel model, developed in the USA, the DUCOM
system, developed at Tokyo University, Navi’s model from University of Lausanne, and the
HYMOSTRUC model, developed at the TU Delft. Specific feature of the models are discussed in view of
their present and potential use in the engineering practice.

Pixel-based model

Microstructure, observed in ESEM Sphere-based model

2-Dimensional microstructures of cement paste: Pixel-based and sphere-based microstructure

3-Dimensional microstructure of cement paste (left) and corresponding pore structure (right).
Simulation with HYMOSTRUC
Pore structure is the basis for transport properties and durability studies.
Msc and Ph D course CT5146 6 Micromechanics and Modelling

Part III

Fracture mechanics

Lectures 13-16 III.I: Fracture Mechanics: Theory and observations in concrete fracture
In part III.1 the theory behind fracture mechanics will be discussed as well as the need for fracture
mechanics for the design of concrete materials and concrete structures. Concrete shows different
behaviour under different loading types. The fracture mechanisms change with the type of loading. The
course will not only focus on the observed behaviour, but will also try to give more insight in the
mechanisms that are behind the fracture process and will give explanations. Some examples of loading
that can lead to fracture and that will be addressed are: mechanical loading, temperature, moisture,
shrinkage, chemical reactions, creep and relaxation. The influences of the material structure (the concrete
mix) on the fracture process will get attention too.

Failure in compressive tests Failure in tensile test

Internal cracking in specimen Softening observed in tension


Msc and Ph D course CT5146 7 Micromechanics and Modelling

Part III

Fracture mechanics

Lectures 17 - 20 III.2: Fracture Mechanics: How to measure fracture?


Part III.2 will focus on the experimental techniques that are available to measure the fracture behaviour of
concrete. International standard tests as well special designed test methods will be addressed. What are the
pitfalls when performing a test? Do I really measure what I intend to do? Are the real boundary conditions
the same as in my design? All these issues often get not enough attention and will thus lead to doubtful
observations. Furthermore the equipment and techniques to obtain measurements that are available is very
broad. An overview will be given in the course. A tour through the Microlab to see some of the techniques
discussed will be included in part III.2.

Micro-Tensile-testing machine

Wedge Splitting test Mode I and III testing


Msc and Ph D course CT5146 8 Micromechanics and Modelling

Part III

Fracture mechanics

Lectures 21 - 24 III.3: Fracture Mechanics: How to model it?


To model fracture, different types of fracture models are proposed in the past. These can be
divided into two main groups: Models that treat concrete as a homogeneous material and try to
describe the global fracture behaviour; Models that treat the concrete as a heterogeneous material,
in which a material structure is taken into account. The latter models are more suitable to study
the material behaviour, where the first type of models are better to simulate fracture in concrete
on a larger scale on which the behaviour of concrete elements or structures is considered. The
different types of models will be discussed, as well as the methods that should be used to
determine the input parameters and to validate the models. The applications of the models, i.e.
understanding the material behaviour, designing experiments, modelling structural behaviour will
get attention during part 3.

Modelling of eigenstresses and fracture processes with a lattice model


Msc and Ph D course CT5146 9 Micromechanics and Modelling

Course material
- Information about the course is available through: www.mechanics.citg.tudelft.nl/microlab
- Simulation of hydration and formation of structure in hardening cement-based materials*, by
K. van Breugel, DUP, 1997, 305 p.
- Fracture Processes of Concrete*, by J.G.M. van Mier, CRC-press, 1997.
*) contact Mw. I. Batterham-Markus (room 6.29) for special student edition.

Ct5146

Handout

Distributed during the


course

Dates and place


The course starts on Monday 10 November 2003.
Lecture hours are Monday, 3rd & 4th hr, and Friday, 1st & 2nd hr
Place: Lecture room F

Information
Mw. I. Batterham-Markus Room 6.29. Tel. 86382. E-mail: I.Batterham@citg.tudeflt.nl
(Monday, Tuesday, Thursday, 9.30 am – 14.00 pm)
Prof.dr.ir. K. van Breugel Room 6.30. Tel. 84954. E-mail: K.v.Breugel@citg.tudelft.nl
Msc and Ph D course CT5146 10 Micromechanics and Modelling