MATIX_P: A MULTISCALE
SIMULATION PLATFORM
DEDICATED TO MATERIALS
UNDER IRRADIATION
DECEMBER 9, 2016
Journée des Utilisateurs Salomé | Laurent Dupuy
15 MARS 2017 | PAGE 1 Journée des Utilisateurs SALOME |
December 9, 2016
MOTIVATION
Provide physically based models and numerical tools to
understand material ageing fur nuclear energy application
Materials for GEN II/III, GEN IV and fusion applications
Main issues related to neutron irradiation:
Hardening
Embrittlement
Creep
Comparison with ion irradiation
Requires a multiscale and multiphysics approach:
Neutron cascade: ~ns and ~nm
Mechanical properties of a representative volume: ~ years and ~mm
15 MARS 2017 | PAGE 2 Journée des Utilisateurs SALOME | December 9, 2016
Épiméthée 3 MVECR source
Tandetron 2,5 MV
Yvette 2,5 MV
Single beam irradiation
Triple beam irradiation
Ion beam analysis
5m
Épiméthée 3 MVECR source
Tandetron 2,5 MV
Yvette 2,5 MV
Single beam irradiation
Triple beam irradiation
Ion beam analysis
5m
EXAMPLE: RPV STEEL HARDENING AND EMBRITTLEMENT
15 MARS 2017 | PAGE 3 Journée des Utilisateurs SALOME | December 9, 2016
A multiphysics and multiscale problem
Microstructure
Mechanical properties
E. Meslin et al.
C. Robertson et al. Hausild et al.
Hausild et al. Raoul et al.
MATIX_P
What is it?
A series of validated and physically motivated codes developed at CEA/DEN
gathering the knowledge acquired throughout the basic research program
A tool dedicated to fundamental and applied research
A unified platform favoring installation, learning and interoperability (coupling /
chaining) of the codes
What it is not?
A Black-box
Involved CEA/DEN department:
Nuclear Materials Department (DMN)
Systems and Structures Modeling Department (DM2S)
Fuel studies Department (DEC)
Physics-Chemistry Department (DPC)
15 MARS 2017 | PAGE 4 Journée des Utilisateurs SALOME | December 9, 2016
MATIX_P (BASED ON SALOME 7.8.0)
| PAGE 5 Journée des Utilisateurs SALOME | December 9, 2016
DART
EKINOX
CRESCENDO
NUMODIS
MICROGEN/COMBS
CAST3M
Atoms
Dislocations
Polycristal
Continuum mechanics
CMDC
AMITEX_FFT
15/03/2017
LAMMPS
MATIX SALOME MICROGEN
MATIX_P 2.3
MARCH 15, 2017
Prerequisites SALOME:
Python : '2.7.10'
Cython : '0.23.2'
numpy : '1.9.2'
scipy : '0.15.1'
matplotlib : '1.4.3'
cmake : '3.5.2'
cppunit : '1.12.1'
lapack : '3.5.0'
qt : '4.8.4'
PyQt : '4.9.6'
ParaView : '5.0.1p1'
hdf5 : '1.8.14'
metis : '5.1.0'
ParMetis : '3.1.1'
scotch : '5.1.12b'
med : '3.2.0'
doxygen : '1.8.3.1'
Sphinx : '1.2.3'
Homard : '11.7'
netgen : '4.9.13'
MeshGems : '2.1-11'
root : '5.34.32'
uranie : '3.6.0'
gmsh : '2.12.0'
openmpi : "1.8.5"
Prerequisites MATIX
"atlas" : "3.10.1"
"qhull" : "2010"
"crescendoCode" : "2.1"
"castem" : "V14"
"ekinoxCode" : "20120425"
"dartCode" : "20120709"
modules and prerequisites MATIX v2.3
'MICROGEN'
'CRESCENDO'
'NUMODIS'
'AMITEX'
'EKINOX'
'DART'
'PACKAGESPY'
'FFTWCODE' #fftw-3.3.4
'MFRONTCODE' #tfel-2.0.4
'AMITEXCODE' #v3.2.0 (6 mois)
'NUMODISCODE' #(6 mois)
‘TESSCODE' #tess-0.2
‘PANDASCODE' #pandas-0.17.1
'VOROPPCODE' #voro++ version novembre 2016
'LAMMPSCODE' #version novembre 2016
modules SALOME 7.8.0
'PLOT2D'
'LIBBATCH'
'KERNEL'
'GUI'
'GEOM'
'SMESH'
'NETGENPLUGIN'
'GMSHPLUGIN'
'GHS3DPLUGIN'
'BLSURFPLUGIN'
'HEXABLOCK'
'HEXABLOCKPLUGIN'
'HOMARD'
'PARAVIS'
'MEDCOUPLING'
'MED'
'YACS'
'JOBMANAGER'
'HXX2SALOME'
'YACSGEN'
'XDATA'
'DOCUMENTATION'
'COMPONENT'
'PYCALCULATOR'
'CALCULATOR'
Available for CENTOS 6.4, CENTOS 6.5 and Feroda 22
HIGHLIGHT ON MICROGEN (C. BOURCIER, C. VAN WAMBEKE)
15 MARS 2017 | PAGE 7 Journée des Utilisateurs SALOME | December 9, 2016
Toolbox to generate microstructures used by other codes
such as NUMODIS, CAST3M or AMITEX_FFTP Artificial microstructures : Voronoi, concrete…
Experimental microstructures : extracted from 2D (or 3D) images (EBSD, tomography)
Example : Voronoi generator (based on Voro++)
Non periodic conditions Periodic conditions
HIGHLIGHT on MICROGEN/Combs
15 MARS 2017
Pour insérer une image :
Menu « Insertion / Image »
ou
Cliquer sur l’icône de la zone
image
Based on Salome module
GEOM/SMESH
REV generator :
Possible objects :
- spheres
- Multilayered spheres
- polyhedron
- GEOM objects
Minimum distance criterion:
Periodic boundary conditions (or not)
Meshing
Analysis tools
HIGHLIGHT ON MICROGEN/Voxelize
15 MARS 2017
Pour insérer une image :
Menu « Insertion / Image »
ou
Cliquer sur l’icône de la zone
image
Structured grid generator:
from:
- CAO : BREP, XAO or hdf Salome study
- MED mesh (unstructured)
from:
- Voronoï
- Combs
- …
Advantages:
- Meshing and mesh-refining is trivial
- Provide inputs for FFT codes such as AMITEX_FFT
25x25x25 50x50x50 100x100x100
HIGHLIGHTS ON AMITEX_FFTP (L. GÉLÉBART)
15 MARS 2017 | PAGE 10
Compute the mechanical behavior of a representative
elementary volume using FFT methods
Original idea from Moulinec and Suquet, 1994
Benefits from High Performance Computing and improvement of FFTw libraries
Fully interfaced with mfront
Available at : http://www.maisondelasimulation.fr/projects/amitex/html/
AMITEX_FFTP
42875 grains
1024x1024x1024 voxels
Cristal plasticity law with
54 internal variables
(mfront) Total strain 1% :
100 time steps 4 hours
HIGHLIGHTS ON AMITEX_FFTP (L. GÉLÉBART)
15 MARS 2017 | PAGE 11
FFT vs Finite elements methods:
No meshing is required
Significantly faster to compute the
macroscopic behavior
FFT does not cover all the possibility of FE
Scalability:
APPLICATION TO NEUTRON IRRADIATED IRON
| PAGE 12 Journée des Utilisateurs SALOME | December 9, 2016
1: Assessing the radiation induced microstructure as a
function of time / dose using CRESCENDO
Crescendo : Chemical Rate Equations for the Simulation of Clustering and the Evolution
of the Number or the Density of Objects (CEA/EDF: PI Thomas Jourdan)
Mean field approach using reaction rate equations:
),(),(),(),(
),(
),(),(),(),,(
),(... pnpnpnpn
qm
qmpnqmpn
pnCCkGCC
dt
dC
radiation Dislocations, grain
boundaries…
Flux between different species
APPLICATION TO NEUTRON IRRADIATED IRON
| PAGE 13 Journée des Utilisateurs SALOME | December 9, 2016
2: Passing information to the upper scale NUMODIS
CRESCENDO-NUMODIS chaining
(2016)
Other applications:
RPV steel : loops and cavities
Interns: Frank loops and cavities
Zr alloys: <a> and <c> loops
APPLICATION TO NEUTRON IRRADIATED IRON
| PAGE 14
3: Plastic behavior in the presence of radiation induced loops
using NUMODIS: comparison with Molecular Dynamics
Terentyev et al. (2008)
Shi et al. (2015)
1 month
2 minutes
APPLICATION TO NEUTRON IRRADIATED IRON
4: towards the mechanical behavior at the upper scale using HCP
PhD work of Arnaud Etcheverry (Zr)
On-going work:
Parameterization of crystal plasticity laws
Implementation in mfront
REV mechanical behavior using AMITEX_FFTP
ON-GOING WORK
15 MARS 2017 | PAGE 16 Journée des Utilisateurs SALOME | December 9, 2016
Continuous improvement of existing codes: physics and HPC
DOE with NUMODIS using URANIE
Coupling between NUMODIS and AMITEX_FFTP
Coupling between NUMODIS and CAST3M to account for complex loadings conditions
and geometries
ACKNOWLEDGMENT
Christian van Wambeke, Christophe Bourcier, Francis Kloss, Benoit Bary, Laurence
Luneville, Thomas Jourdan, Jean-Paul Crocombette, Lionel Gélébart, Ludovic
Vincent…
Gilles Adjanor et Guy Bencteux (EDF)
Marc Fivel, Emilie Ferrié (Grenoble INP)
Marc Blétry (Grenoble INP et Paris Est-Créteil)
Olivier Coulaud (INRIA)
And many others…
15 MARS 2017 | PAGE 17 Journée des Utilisateurs SALOME | December 9, 2016
Direction : DEN/DANS
Département : DMN
Service : SRMA
Commissariat à l’énergie atomique et aux énergies alternatives
Centre de Saclay | 91191 Gif-sur-Yvette Cedex
Etablissement public à caractère industriel et commercial | R.C.S Paris B 775 685 019
15 MARS 2017
| PAGE 18
Journée des Utilisateurs SALOME | December
9, 2016
