NEUDOS Kirk Oct 2009 Neutrons

Overview of Neutron
Transport Codes
11th NEUTRON AND ION DOSIMETRY

SYMPOSIUM (NEUDOS-11)
Capetown, South Africa
October 16, 2009
Presented by:
Bernie Kirk
Director, Radiation Safety Information
Computational Center (RSICC)
Nuclear Science and Technology Division
SUMMARY
BACKGROUND
STOCHASTIC VERSUS DETERMINISTIC METHODS
MONTE CARLO SOFTWARE
DETERMINISTIC SOFTWARE
CONCLUSION
2 Managed by UT-Battelle
for the U.S. Department of Energy
Science News
ScienceDaily Oct. 1, 2009
Spallation Neutron Source First Of Its

Kind To Reach Megawatt Power
— The Department of Energy's
Spallation Neutron Source (SNS),
already the world's most powerful
facility for pulsed neutron scattering
science, is now the first pulsed An image made possible by a
phosphorescent coating
spallation neutron source to break colorfully illustrates one
megawatt of power striking
the one-megawatt barrier. the Spallation Neutron
Source's mercury target.
(Credit: Image courtesy of
DOE/Oak Ridge National
Laboratory)
Supercomputers Twenty Years Ago
Radiation Transport
Stochastic Method
(Monte Carlo)
Deterministic Method
Neutron Transport Equation
1
r, E, S r, E, S f r, E t r, E r, E,
4
s r, E' E, ' r , E ' , ' dE ' d '
'E'
Non-commercial Software
MONTE CARLO SOFTWARE DETERMINISTIC
SOFTWARE
NEUTRON Transport
NEUTRON Transport
SCALE – MONACO, MAVRIC, KENO
MCNP/MCNPX SCALE - DENOVO
TRIPOLI PARTISN
VIM PENTRAN
TART
SERPENT
Electron/Photon High
Transport Energy
EGS5 Transport
PENELOPE
EgsNRC PHITS
GEANT4
FLUKA
MCNPX
SHIELD
SCALE
http://www.ornl.gov/sci/scale/
Developed at Oak Ridge National Laboratory
Contact: Brad Rearden, reardenb@ornl.gov
Available:
RSICC http://rsicc.ornl.gov
NEADB http://www.nea.fr/html/databank/welcome.html
SCALE Standardized Computer Analyses for
Licensing Evaluation
• SCALE is a modular code system that uses automated sequences
to provide:
– Problem-dependent cross-section processing
– Reactor / lattice physics analysis
– Criticality safety analysis
– Sensitivity/uncertainty analysis
– Radiation shielding analysis
– Spent fuel and HLW characterization
– Advanced 3-D visualization and automated user interface
• Distributed and used worldwide for > 25 years
• Developed at Oak Ridge National Laboratory
Material processing and fabrication Commercial and
research reactors
SCALE is used
worldwide (~30
nations) by
regulators,
vendors, utilities,
SCALE provides mature and cask designers,
flexible software for nuclear R&D labs,
analysis of nearly any application safeguard
within the nuclear fuel cycle agencies
Recycling
D&D
9 Managed by UT-Battelle Transport Storage
MONACO/MAVRIC (SCALE)
Contact: Douglas Peplow, peplowde@ornl.gov
Monaco – Multigroup Monte Carlo
• Neutron/Photon
• general-purpose, fixed source, multigroup Monte
Carlo shielding
• multigroup transport methods are inherited from
Monaco’s predecessor, MORSE
Monaco – Multigroup Monte Carlo
• geometry data as sets of quadratic equations -
same geometry package as KENO-VI
• Flexible, friendly user input
– Source description is separable:
space, energy, direction
– Region tallies, mesh tallies, point detector
tallies
– Integrates fluxes with response functions
(dose)
• Variance Reduction capabilities
– Weight windows based on region/energy
– Mesh-based weight windows
• MeshView plotting software
– Plot calculated responses on mesh grid
MAVRIC – Monaco with Automated
Variance Reduction using Importance
Calculations
• Intended for challenging, deep-penetration problems
• CADIS (Consistent Adjoint Driven Importance Sampling)
– Denovo is used to calculate the coarse-mesh adjoint flux for a specific tally
– Creates importance map (space, energy) and biased source
– Monaco is then optimized for that specific tally
• Forward Weighted CADIS
– Denovo estimates forward fluxes, used in the adjoint source
– Helps balance relative uncertainties across multiple tallies or large mesh
tallies
CADIS Methodology for
Automated Variance Reduction
Example: PWR Ex-Vessel Thermal (10B) Detector Response
300
Concrete shield
adjoint
5.00E+30
7.46E+29
Cavity Pressure vessel 250 1.11E+29
1.66E+28
2.48E+27
3.70E+26
5.51E+25
Detector 200
y-dimension (cm)
8.23E+24
1.23E+24
1.83E+23
2.73E+22
Downcomer 150 4.07E+21
6.08E+20
9.07E+19
Neutron pads 1.35E+19
2.02E+18
100 3.01E+17
Core barrel 4.49E+16
6.70E+15
1.00E+15
Flow channel 50
Baffle plates
Core 50 100 150 200 250 300
x-dimension (cm)
Deterministic model Adjoint data

Monte Carlo model
Faster Results Calculate/apply VR Parameters Biased

160 8.4E-02
3.7E-02
CPU TIME TO 140
1.6E-02
7.1E-03
CASE ACHIEVE RE=1% SPEEDUP 3.1E-03

1.4E-03
6.1E-04
(h) 120 2.7E-04
1.2E-04
y-distance (cm)
5.2E-05
No VR 8.86E+4 (10.1 yrs) 1 100 2.3E-05
1.0E-05
Manual VR 13.6 6500 80
CADIS VR 1.02 87000 60
40
Required ~3 weeks by an experienced MC practitioner using all applicable 20

MCNP4C VR capabilities
0
14 Managed by UT-Battelle 0 20 40 60 80 100 120 140 160
for the U.S. Department of Energy x-distance (cm)
MAVRIC: Dose Rates from Cask Array
Analog calculation:
560 hours, poor resolution in mesh tally
Automated variance reduction: 109 hours,

80% voxels < 5% rel unc
97% voxels < 10% rel unc
KENO (SCALE)
Contact: Sedat Goluoglu, goluoglus@ornl.gov
KENO Multigroup Monte Carlo Code
for Criticality Calculations
• KENO was first developed during 1960’s and is
internationally accepted tool for criticality safety analysis
• SCALE has two versions
– KENO.Va: restricted geometries, but faster
– KENO-VI: general geometry; rotations; intersections
• Multigroup method runs much faster than continuous
energy, but requires self-shielding corrections to XS’s
SCALE 6: Criticality LEU
Safety Enhancements 1.02 3.0

2.5
1.01
• Continuous energy
2.0
1 1.5
capability incorporated in
(C-B)/B%
1.0
0.99
Keff
0.5
KENO
0.98
0.0
0.97 -0.5
-1.0
• ENDF/B-VI and ENDF/B-VII 0.96
0.95
-1.5
-2.0
libraries included. 0 50 100 150

Benchmark number (arbitrary)
200 250
Calculated Percent difference
CE validation results for LEU benchmarks
CE vs. Multigroup
continuous-energy
or
neutron flux
multi-group
Explicit 3D neutron
transport model of
application
reaction rates
keff,
EALF,
etc.
SCALE: KENO-VI and MAVRIC Coupling
West wing of the ORCEF,
building 9213
Step 1:
• Use KENO-VI to model the
criticality accident and save the
fission distribution as a mesh
source
layers of UF4
Step 2:
• Use MAVRIC to model particle transport
• Use KENO-VI fission distribution as the
source for MAVRIC
• Calculate detector responses, dose rates
at specific points or mesh tallies of dose
rates
Dose in rem per 1019 fissions

Speedups of 3000 to 4500
MCNP/MCNPX
http://mcnp-green.lanl.gov/
Monte Carlo N-Particle
Developed at Los Alamos National Laboratory
Contact: Tim Goorley, jtgoorley@lanl.gov
Available:
MCNP/MCNPX
neutron, photon, electron, or coupled neutron/photon/electron
transport
radiation protection and dosimetry,

radiation shielding, radiography
medical physics,
nuclear criticality safety,
Detector Design and analysis,
nuclear oil well logging,
Accelerator target design
Fission and fusion reactor design
decontamination and decommissioning
Calculate
– Flux, Current, Energy or Charge Deposition,
Heating, Reaction
Rates, Response Functions, Radiographs, Mesh
Tallies (E, θ, t bins)
– keff, prompt neutron lifetime, fission
distributions, η, ν, Ē of
neutrons causing fission, neutron balance per
cell and nuclide.
MCNP History
1940s 1977 1992 2009

• 50+ years of code development!
– World recognized experts in several fields
• Impressive physics, geometry, tally, variance reduction capabilities
• Modern Teraflop supercomputers can drive Monte Carlo calculations not dreamed possible more
than a decade ago
• Now used for design of many systems (criticality example)
1960s: K-effective
1970s: K-effective, detailed assembly power
1980s: K-effective, detailed 2D whole-core
1990s: K-effective, detailed 3D whole-core
2000s: K-effective, detailed 3D whole-core,
depletion, reactor design parameters
MCNP / MCNPX Teams
• MCNP • MCNPX
• Deputy Group Leader: Jeremy Sweezy • Team Lead: Gregg McKinney
• Project Lead: Tim Goorley • Project Lead: Laurie Waters
• Tom Booth • Joe Durkee
• Forrest Brown • Jay Elson
• Jeff Bull • Michael Fensin (N-4)
• Art Forster • John Hendricks (X-3)
• John Hendricks • Shannon Holloway (T-2 CINDER)
• Grady Hughes • Michael James
• Roger Martz • Russell Johns
• Stepan Mashnik • William Johnson
• Avneet Sood • Toshihiko Kawano (T-2 CGM)
• Tony Zukaitis • Denise Pelowitz
MCNP/X Present
• MCNP5 1.51 and MCNPX 2.6.0

– released through RSICC
– Export Controlled source code (by Department of Energy)
• Active merger effort to produce MCNP6
– ~$5M since 2006
– 3 people / year
– All capabilities of both codes
– Friendly Alpha testing has already begun at LANL
– Anticipated merger by June / July
– Beta available within LANL (Internal milestone in Sept 2009)
– Begin robust V&V for ultimate release to RSICC summer 2010
– Subsequent elimination of duplicate features
New Features 2008
• MCNP5 version 1.51
– Variance Reduction with Pulse Height Tallies
– Temperature dependant (Doppler Broadened) libraries with preprocessor makxsf
– Memory improvements for large lattices
– Long file names & tabs
– Test suites that compare to experiments
– OpenMP threading on all platforms (alone or in combination with MPI)
• MCNPX 2.6.0
– Heavy Ion transport for 2000+ ions (LAQGSM, CEM)
– Burnup / Depletion with full integration of CINDER 90
– Delayed neutron and gammas from CINDER90 decay products
– Muon capture interactions
– Charged ions from neutron capture
– Fission Matrix criticality source convergence acceleration
– Weight windows improvements
– Residual nuclei tally
– Spontaneous photon sources
• Nuclear Data from ENDF/B-VII
Recent Capabilities
Simulated Radiographs
Decay Chains &

Background
their emissions Neutron and Photon
Radiation from lat,
long, and elevation
Monte Carlo Applications Tool Kit
(MCATK)
• From scratch Monte Carlo radiation transport code in C++, using Agile-like processes,
unit testing, pair programming, modular design
• Driven by desire to utilize GPUs & new hardware (which doesn’t always have a
FORTAN 90 compiler), as well as maintain MC expertise in new staff
• Intended to replace portions of MCNP
• Leverages Commercial + Open Source Software
– Eclipse Development Environment
– Unit Test++
GUI tool to view geometry
– QT
– Doxygen
– Boost
MCNP Unstructured Mesh
• track and tally on unstructured mesh

• mesh objects are mix of 4, 5 & 6 sided
solids
• Boundaries of solids can be bi-linear.
• Mesh can be added into regular 3-D
MCNP geometry
• Already in MCNP6, works in parallel
• Quadratic surfaces under development
• Want to expand to CAE codes other than
ABAQUS
• Is currently used for thermo-mechanical
analysis
Energy
Deposition
Low Energy Threshold R&D Topics!
• Current lower energy

limit of photons and
electrons is 1 keV
• Not sufficient for
smaller geometries
desired by medical
community
• Also necessitates
improved L-M-N shell
fluorescence Millimeter or sub-millimeter
patient –based geometry is
frequent in user community
Improved Variance Reduction R&D Topics!
• Long time goal of linking MCNP5

together deterministic SN
adjoint solutions to feed
into foreward Monte Carlo
calculations PARTISN
• Variance Reduction needs
reexamination. Many
methods were developed to Generated Importances
Geometry
gain information in a few
specific locations, not
everywhere
• Continuous Energy Adjoint Dose from Hiroshima
nuclear weapon
• Not all pieces work together detonation in Times
Square, NY for FEMA.
Criticality Efforts R&D Topics!
“Stochastic Geometry” for HTGRs: Fuel

kernel displaced randomly within lattice
element each time that neutron enters
• Relative Entropy Of Fission

Source Distribution
• Dominance Ratio 0.18
Godiva central perturbation
• Beta-Effective 0.16 Modified MCNP,
2.741cm
• Source Shape Effects on 0.14
With source-shape
Perturbations 6 cm
Effects on perturbation
Exact, 2
Reactivity ( k/kk')
0.12
• Probability of Initiation Perturbed MCNP
0.10 region runs
0.08
0.06
0.04 Standard
2 MCNP MCNP,
runs
2ndMCNP
order perturbation
2nd-order
0.02
2nd+PS(5-cycle)
0.00
0.00 0.10 0.20 0.30 0.40 0.50
Fractional density change
TRIPOLI
 Developed at Commissariat à l’Énergie Atomique, Saclay
 Contact: Jean-Christophe Trama, (Jean-

Christophe.TRAMA@cea.fr)
 O Petit, É Dumonteil, FX Hugot, YK Lee, A Mazzolo, C Diop
 Available:
TRIPOLI
A long history at CEA, representing a large Monte Carlo

expertise since the 1960s
The fourth generation of the code,TRIPOLI-4, is a 3D

pointwise Monte Carlo code for radioprotection and
shielding, core physics, criticality and nuclear
instrumentation studies.
TRIPOLI-4 represents more than one and half hundred

person-years of capitalized experience, devoted to
research & development as well as industry.
TRIPOLI-4: a reference tool for radioprotection and
shielding, core physics, and criticality studies
CEA (core physics, radioprotection, criticality studies
through the CRISTAL package)
EDF (core physics, radioprotection)
IRSN (criticality studies through the CRISTAL package)
AREVA NC (criticality studies through the CRISTAL

package)
AREVA TA (core physics, radioprotection)
NURESIM European project : TRIPOLI-4 reference Monte
Carlo tool
www.nuresim.com
TRIPOLI-4 : main characteristics
3D, Monte-Carlo code to compute transport related
quantities (flux, current, reaction rate, keff etc.)
Directly reads pointwise cross sections (pendf files), can

easily mix isotopes from different evaluations
Easy-to-use automated variance reduction tools

especially designed for deep penetration problems
Robust and efficient parallelism capability

(heterogeneous workstation network as well as massive
HPC systems) CASCAD fuel storage
Highly qualified 0-20 MeV neutrons and photons nuclear

energy calculations (reactors, plants and labs)
Reactor simulation
TRIPOLI-4 : some technical features
Mainly written in C++
Available on various Unix and Linux
Easy-to-understand key-word based input system,

supplemented by 3D mouse-driven man-machine interface
(Salomé)
Probability table in the URR range from CEA CALENDF

code (also available from NEA)
Externally coupled with depletion code, CFD code
TERA, supercomputer, © CEA
TRIPOLI-4 : a focus on nuclear data
management
TRIPOLI-4 directly reads pendf files from various
evaluations
Presently, evaluations from JEF2.2, JEFF3.0 3.1 3.2,
ENDF/B-VI.4 B-VI.8, B-VII.0, JENDL33 may be used
(available from NEADB and RSICC)
TRIPOLI-4 reads PT files from the CEA CALENDF code,

for the Unresolved Resonance Range (URR)
Examples of data libraries already in use are

JEFF3.1 : 381 isotopes + 140 PT in the URR
ENDF/B-VII : 393 isotopes + 252 PT in the URR
JENDL33 : 337 isotopes + 209 PT in the URR
It is possible to easily use a user-defined nuclear data set,

with isotopes coming from different evaluations
TRIPOLI-4 : a focus on automated
variance reduction
Variance reduction techniques are necessary to obtain acceptable

Figure of Merit (FOM)
Deep penetration problems are almost impossible to calculate

without them.
Variance reduction techniques are statistical tools to help the user

sample from a modified physics to reach the desired results.
The automated reduction variance built in the INIPOND TRIPOLI-

4 module allows to easily run a deep penetration problem.
TRIPOLI-4 : a focus on geometry description
 Predefined shapes and combinatorial operators :

 Reunion, smash, intersection, substraction
 Rotation
 Repetition of basic pattern
Lattices, Lattice of lattices :
2D cut
User friendly interface
 Or definition by surfaces :
 Combination of both descriptions is possible.
VIM
http://www.vim.anl.gov/
Developed at Argonne National Laboratory
Contact: Roger Blomquist, rnblomquist@anl.gov
Available:
VIM
•Continuous Energy Neutron/Photon
Transport Code System for criticality, reactor
physics, and shielding
•Geometry options are infinite medium,
combinatorial geometry, and hexagonal or
rectangular lattices of combinatorial
geometry unit cells, and rectangular lattices
of cells of assembled plates
•Variance reduction using splitting/Russian
roulette, non-terminating absorption with
nonanalog weight cutoff energy
VIM Background
•Developed to analyze ANL critical experiments and
benchmark ANL diffusion, transport, and spectrum
analytical tools
•Nuclear data processed using ANL codes independent of
others:
–Not NJOY
–Some other codes use ANL-developed methods (e.g.,
URR probability tables in MCNP)
•Earlier VIM verification & validation:
–Extensive benchmarking with ZPR/ZPPR criticals and
ICSBEP
–Earlier libraries verified by inter-code comparisons with
MC2-2 fast reactor spectrum code in great detail, MCNP,
etc.
Recent VIM Enhancements
CODE
• FORTRAN 95, with nuclear data in
structures
• Eliminated archaic memory
management routines
• Improved input diagnostics
• Slicer geometry input color display
• Enhanced precision to reduce tracking
Data Library
errors and differences between
platforms • Eliminated intermediate codes previously
used to access processed nuclear data
libraries
• Default libraries now ASCII, with
provenance information in header
records
• Increased angular distribution detail and
accuracy
• Total fission spectra used, not prompt
only
• ENDF/B-VII.0, tested on fast and
intermediate systems
45
k(VIM) - k(MCNP) (pcm)
Managed by UT-Battelle
-100
-50
50
100
150

HMF001
003-10a
003-10b
003-10c
003-10d
003-10e
003-10f
003-10g
003-11a
003-11b
003-11c
003-11d
003-12
008
Cases: VIM vs. MCNP
012
013
014
015
018
021
022
027
ICSBEP HEU-MET Benchmark
028
061
065
HMI001
TART
http://home.comcast.net/~redcullen1/speed.htm
Developed at Lawrence Livermore National Laboratory
Contact: Dermott E. Cullen, RedCullen1@comcast.net
Available:
Pedigree of TART
•Livermore production code for 40 years

•Livermore’s equivalent of MCNP
•Only recently released outside Livermore
•TART2000
• Coupled Neutron-Photon
• 3-D Combinatorial Geometry
• Time Dependent
• Energy Range: Very Low up to 1 GeV
TART Features
• Very fast
•Uses Latest ENDF/B data
• neutrons & photons
• Runs on ANY computer
•UNIX Workstations
•Windows/Linux PC
• Power MAC
•Very user friendly
•Only about 15-20 % is the Monte Carlo code
•The remainder is tools to make your job easier
TART Features
•The TART System is a complete
system
•It helps you prepare and check
input
•Runs your Monte Carlo
calculations
•Source and criticality problems
•Interactive graphics is extensively

used
•In input preparation and
checking
•Overlaying results on your
geometry
•Viewing neutron and photon
data
TART Features
•A well known advantage of Monte
Carlo is its ability to handle
complicated geometry.
•TART tries to optimize this advantage

•Other codes allow first & second
degree surfaces - planes,
spheres, cylinders,…
•TART allows third & fourth
degree surfaces - cubic & quartic
splines, fine and detailed
surfaces, torus
•There is no limit to the detail of
geometry
•Everything is dynamically
dimensioned
•Here’s an example of a
complete seven story building
Example of a complete
seven story building
TART Features
• continuous energy neutrons

• and continuous energy kinematics
• but multigroup cross sections
• 700 groups: 50 per energy decade
• Multiband parameters in all group
• Because sampling continuous energy cross

sections converges too slowly and isn’t
necessary, TART uses self-shielding theory and
the multiband method
SERPENT
http://montecarlo.vtt.fi
Developed at VTT Technical Research Centre , Finland
Contact: Jaakko Leppanen, Jaakko.Leppanen@vtt.fi
Available:
The Serpent Computer Code
http://montecarlo.vtt.fi
• Serpent - a continuous-energy Monte Carlo

reactor physics burnup calculation code
• Developed at VTT Technical Research
Centre of Finland since 2004 (until Oct. 2008
under working title ”PSG”)
• Mainly intended for, but not limited to lattice
physics calculations:
− Generation of homogenized multi-group

constants for deterministic reactor simulator
codes
− Fuel cycle studies
− Reactor physics calculations traditionally
handled using deterministic lattice transport
codes
• Universe-based three-dimensional geometry Fig 1. MOX assembly surrounded by UOX

model – allows the description of practically assemblies in a PWR reactor lattice
any 2D or 3D fuel or reactor core
configuration
Serpent Capabilities
• Interaction physics:
− Continuous-energy cross sections read from ACE format data libraries and
reconstructed on a unionized energy grid
− Neutron interactions modeled using classical collision kinematics and ENDF reaction
laws
− Unresolved resonance cross sections sampled from probability tables
• Tracking:
− K-eigenvalue criticality source calculation

− Neutron transport based on the combination of conventional surface tracking and the
Woodcock delta-tracking method
• Burnup calculation:
− Fully automated built-in depletion routines

− The Bateman depletion equations solved using the transmutation trajectory analysis
(TTA) or the Chebyshev rational approximation method (CRAM)
54 Managed by − Radioactive
UT-Battelle decay and fission yield data read from standard ENDF format files
Serpent Limitations
• Capabilities include:
− Homogenized multi-group constants, including cross

sections, assembly discontinuity factors, scattering
matrices, diffusion coefficients and point-kinetic and
effective delayed neutron parameters calculated by
default
− Unlimited number of depleted material zones in burnup
calculation
− Various user-defined ”detector” (tally) features
• Main limitations:
− Transport simulation limited to neutrons

− K-eigenvalue criticality source calculation, fixed source
mode not available
− Memory usage may become a limiting factor in large
burnup calculation problems
Fig 2. The VENUS-2 reactor core
− Delta-tracking necessitates the use of the collision flux
estimator poor efficiency for reaction rates tallies
integrated over small cells or regions of
55 Managed by UT-Battelle low collision density
Additional Features of Serpent
• Parallel calculation using MPI
• Built-in Doppler-broadening preprocessor
routine
• B1 fundamental mode calculation and
leakage models currently under development
• Geometry models for handling random
particle and pebble distributions in HTGR
calculations
• Serpent is optimized for performance in
lattice physics calculations:
− Efficient geometry routine based on delta-

tracking
− Unionized energy grid used for all cross
sections minimizes the number of grid search
iterations
− Additional tricks to speed up burnup calculation
Full-scale LWR assembly burnup calculations (1

can be completed in about 4 hours on a 2.6 Fig 3. 15,000 microscopic TRISO particles
GHz Linux PC cluster using 4 CPU’s in the randomly dispersed inside a PBMR-type fuel
MPI mode pebble (explicit particle fuel model)
(1A standard 17 x 17 PWR fuel assembly with burnable absorber pins.
56 Managed by UT-Battelle Materials divided into 65 depletion zones, a total of 42 burnup steps run
for the U.S. Department of Energy with predictor-corrector calculation, 3 million neutron histories per each
transport cycle.
DENOVO (SCALE)
Contact: Tom Evans, evanstm@ornl.gov
Availability
Denovo
• State of the Art Transport Methods
massively parallel deterministic radiation transport
code
–3-D regular grid, Discrete Ordinates (SN)
–Multigroup energy, anisotropic PN scattering
–6 spatial discretization algorithms (linear & tri-linear discontinuous FE,
Step-characteristics, theta-weighted diamond, diamond difference + fixup)
• High Performance, Modern, Innovative Solvers
–GMRES, BiCGStab. or Source Iteration options on within-group solves
–DSA-preconditioning (SuperLU/ML-preconditioned CG)
–Transport Two-Grid upscatter acceleration of Gauss-Seidel MG iteration
–Parallel first collision approximation
–Eigenvalue (keff) and fixed-source problem modes
–Krylov solvers provided by Trilinos Library
58
DENOVO APPLICATIONS
PWR Facility Modeling
Zones Angles Groups State Size Output Time

(GB) (GB) (m)
103.7M S24/P3 27 568.741 83.457 46.97
1,047.8M S24/P3 27 5,746.180 843.189 79.43
Fusion:
ITER analyses
Nuclear Energy: 285M cell, S24/P3 model of the International

Thermonuclear Experimental Reactor (ITER)
LWR analyses
59
DENOVO
• Parallel Algorithms
–Koch-Baker-Alcouffe (KBA) wavefront solve
–Domain replicated & decomposed options for
parallel first-collision source
–Multi-level decompositions in energy and angle
under development
–Parallel I/O for massive problems
• Advanced Visualization and

Run-Time Environment
–Python front-end allows high-degree of flexibility in
prescribing input/output
–Direct connection to SCALE geometry and data
–HDF5 output directly interfaced with Visit
60
Denovo Weak Scaling
• Advanced Methods Denovo is designed to run
high resolution problems
– GMRES (with DSA preconditioning) within-group scaled to thousands of cores.
solver
– Transport, Two-Grid accelerated Gauss-Seidel for
multi-group
– Koch-Baker-Alcouffe (KBA) parallel domain-
decomposition
– Trilinos parallel solver package for highly efficient
Krylov solvers and as an interface to the SuperLU
direct solver library
– Parallel first-collision source
– 5 different spatial differencing schemes Strong Scaling
– Multiple input front-ends including Python
– High-performance parallel I/O using HDF5 Denovo’s parallel algorithms
are very efficient on cluster-
level platforms as well.
KBA Parallel Sweep
1. Sweep each block starting

in corner of octant.
2. Communicate outgoing
fluxes to neighboring (x,y)
blocks. Denovo can run on PCs, workstation clusters, supercomputers
3. Continue sweep in z-
direction.
4. MPI communication
across blocks.
5. OpenMP on angles within
block.
Jaguar – 1.64 PF Cray XT: 45,376 Quad-Core Processors, 362 TB memory
Cancer Therapy Planning with Denovo
Denovo generates a model directly from CT

scans:
 576,600 voxels
 lung/chest scan from UNC medical center
Using this model, Denovo can perform fast

and accurate radiation transport calculations:
 S8 angular quadrature
 P3 scattering
 40 energy groups
 Calculation took 438 seconds on a 16

CPU AMD 64 Linux cluster
Therapy Plan
contours at 80, 70, 50, 30, and 10%
Denovo outputs data that can be read directly by VisIt

 inline, real-time visualization
 dynamic visualization for modulated therapy planning
 2D/3D contours, color plots, etc.
Denovo Capabilities for Treatment
Planning
• Coupled photon-electron transport

– Galerkin quadrature + CEPXS cross sections implemented
– in testing and verification phase
• Boltzmann-Fokker-Planck planned for this year
• Photo-neutron library scheduled for testing Fall 09
– estimate neutron full-body doses to personnel and patients
• Coupled proton-neutron-photon physics planned after
BFP implementation
– used for proton therapy planning
– occupational neutron dose calculations
PENTRAN
http://www.hswtech.com/
Developed at HSW Technologies LLC, University of Florida
Contact: Ali Haghighat, haghighat@ufl.edy

Glenn Sjoden, sjoden@ufl.edu
Availability – coming soon to university participants only

PENTRANTM (Parallel Environment Neutral-particle TRANsport)
Code System
Pre-processing
PENMSH-XP (prepares mesh/material/source distributions &
PENTRAN input file)
PENTRAN (Parallel 3-D, Sn transport code)
Post-processing
PENDATA (prepares tables of flux, source, and material distributions by
processing parallel-partitioned output files)
PENPRL (determines flux values at any arbitrary position by performing

3-D linear interpolation)
• PENTRAN code system was developed by Glenn Sjoden and
Alireza Haghighat in 1996.
• ANSI FORTRAN F77/f90 with MPI library, over 37,000 lines
• Industry standard FIDO input
• Licensed via HSW Technologies LLC
• Solves 3-D Cartesian, multigroup, anisotropic transport problems

• Forward and adjoint mode
• Fixed source, criticality eigenvalue problems
• Parallel processing algorithms

• Hybrid phase-space decomposition in angle, energy, and/or spatial
variables
• Parallel I/O
• Partitioned memory for memory intensive arrays (angular fluxes, etc)
• Builds MPI processor communicators
• Automatic scheduling using a decomposition weighting vector
 Numerical formulations
– Adaptive Differencing Strategy
DZ DTW EDI
Upgrade condition: Negative solution w ≥ .96
Diamond Zero Fixup (DZ); Directional Theta-Weighted (DTW); Exponential-Directional Iterative (EDI)
– Fully discontinuous variable meshing

between coarse meshes: Uses a novel
higher order mesh coupling scheme:
Taylor Projection Mesh Coupling (TPMC)
– Acceleration
• Coarse-mesh Rebalance (CMR) techniques; multi-grid (MG);
Combined CMR & MG; Synthetic Even Parity Simplified Sn (EP-SSn);
Preconditioned EP-SSn/Sn
 Numerical formulations (cont.)
– Iterative
• Multigroup & One-level Source Iteration (SI)
• Red-Black and Block Jacobi iteration
– Anisotropic scattering with arbitrary order,
– Angular quadrature set:
• Level symmetric (up to S20) with ordinate splitting (OS)
• Pn-Tn (arbitrary order) with OS
– Vacuum, reflective, and albedo boundaries
– Volumetric & planar angular sources
 Other versions
– Medical Application:
– PENTRAN-MP (Radiation dose – photon & electron);
– PENTRAN-CRT (Hybrid Sn & Characteristic Ray Trace) (under
testing & evaluation)
– Core physics: PENTRAN with PENBURN (3-D fuel burnup)
 Benchmarking: VENUS-3 benchmark facility, Kobayashi 3-D benchmarks,
C5G7 MOX Criticality benchmark, Ganapol TIEL benchmarks
 Applications
– BWR Core-Shroud
– Pulsed Gamma Neutron Activation
Analysis (PGNAA) device
– X-Ray room
– Time-of-Flight (TOF)
– Spent fuel storage cask
– UF Training Reactor (UFTR) - Water tank Characterization
– UFTR - Thermal column optimization
– SNM Detection optimization
– Whole body Medical Phantom dosimetry (PENTRAN-MP)
– SiC Power Monitoring Assessment
– LWR 3-D fuel burnup calculation for whole core (PENTRAN with PENBURN)
– Full-core PWR (IBM blueGene/P) (tested on 4096 cores)
– Development of Spent fuel pool monitoring tool
– Cargo Monitoring Assessments
Performance: Achieved high parallel fractions in a range of 96-99%

PARTISN
Developed at Los Alamos National Laboratory
Contact: Randy Baker, rsb@lanl.gov
Availability:
PARTISN
PARallel, TIme-Dependent SN
Evolutionary successor to DANTSYS (ONEDANT, TWODANT,
THREEDANT)
PARTISN 5.97: Time-Dependent
Parallel Neutral Particle Transport Code System
Solves the time-independent or dependent multigroup discrete ordinates

form of the Boltzmann transport equation in several different geometries
PARTISN
Uses MPI (message passing interface)
Designed for UNIX, Linux or Windows systems
solves the transport equation on orthogonal (single level or block-

structured AMR) grids in 1-D (slab, two-angle slab, cylindrical, or
spherical), 2-D (X-Y, R-Z, or R-T) and 3-D (X-Y-Z or R-Z-T) geometries
Supercomputers Today
Million-fold increase in computing and data
capabilities
Cray ―Baker‖ 2018

8-core, dual-
socket SMP
1379 TF (1.4 PF) 2015
Cray XT4 Future
Quad-core 2011 system
263 TF 1000 PF
Cray XT4 Future (1 EF)
119 TF 2009 system
Cray XT3 100–250 PF
Dual-core DARPA
54 TF 2008
HPCS
20 PF
Cray ―Baker‖
Cray X1 2007
8/12-core, dual-
3 TF
socket SMP
2006 Cray XT4 Cost as low as
1000 TF (1 PF)
Quad-core
2005 166 TF $0.13 / gigaflop
2004 for the 40nm GPU

Cray XT3 from ATI.
Single-core
74 26 TF
Managed by UT-Battelle
Slide courtesy of Jeff Nichols, Oak Ridge National Laboratory
Shielding Aspects of Accelerators and Target Irradiation
Facilities (SATIF-10)
http://indico.cern.ch/conferenceDisplay.py?confId=62629
Computational Medical Physics Working Group
http://cmpwg.ans.org
Monte Carlo 2010 and Supercomputing 2010
http://sna-mc-2010.org/
October 17-20, 2010
Tokyo, Japan

NEUDOS Kirk Oct 2009 Neutrons

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NEUDOS Kirk Oct 2009 Neutrons

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Overview of Neutron

11th NEUTRON AND ION DOSIMETRY

STOCHASTIC VERSUS DETERMINISTIC METHODS

MONTE CARLO SOFTWARE

Spallation Neutron Source First Of Its

Neutron Transport Equation

Contact: Brad Rearden, reardenb@ornl.gov

Developed at Oak Ridge National Laboratory

Contact: Douglas Peplow, peplowde@ornl.gov

Deterministic model Adjoint data

Faster Results Calculate/apply VR Parameters Biased

CASE ACHIEVE RE=1% SPEEDUP 3.1E-03

Manual VR 13.6 6500 80

CADIS VR 1.02 87000 60

Required ~3 weeks by an experienced MC practitioner using all applicable 20

Automated variance reduction: 109 hours,

Developed at Oak Ridge National Laboratory

Contact: Sedat Goluoglu, goluoglus@ornl.gov

Safety Enhancements 1.02 3.0

• ENDF/B-VI and ENDF/B-VII 0.96

libraries included. 0 50 100 150

Calculated Percent difference

CE validation results for LEU benchmarks

Dose in rem per 1019 fissions

Monte Carlo N-Particle

Developed at Los Alamos National Laboratory

Contact: Tim Goorley, jtgoorley@lanl.gov

radiation protection and dosimetry,

1940s 1977 1992 2009

• MCNP5 1.51 and MCNPX 2.6.0

Decay Chains &

• track and tally on unstructured mesh

• Current lower energy

• Long time goal of linking MCNP5

“Stochastic Geometry” for HTGRs: Fuel

• Relative Entropy Of Fission

 Developed at Commissariat à l’Énergie Atomique, Saclay

 Contact: Jean-Christophe Trama, (Jean-

A long history at CEA, representing a large Monte Carlo

The fourth generation of the code,TRIPOLI-4, is a 3D

TRIPOLI-4 represents more than one and half hundred

EDF (core physics, radioprotection)

IRSN (criticality studies through the CRISTAL package)

AREVA NC (criticality studies through the CRISTAL

Directly reads pointwise cross sections (pendf files), can

Easy-to-use automated variance reduction tools

Robust and efficient parallelism capability

Highly qualified 0-20 MeV neutrons and photons nuclear

Available on various Unix and Linux

Easy-to-understand key-word based input system,

Probability table in the URR range from CEA CALENDF

Externally coupled with depletion code, CFD code

TERA, supercomputer, © CEA

TRIPOLI-4 reads PT files from the CEA CALENDF code,

Examples of data libraries already in use are

It is possible to easily use a user-defined nuclear data set,

Variance reduction techniques are necessary to obtain acceptable

Deep penetration problems are almost impossible to calculate

Variance reduction techniques are statistical tools to help the user

The automated reduction variance built in the INIPOND TRIPOLI-

 Predefined shapes and combinatorial operators :

Lattices, Lattice of lattices :

 Combination of both descriptions is possible.