On the usage of HDF5 in the DAMASK crystal plasticity toolkit

Transcription

1 On the usage of HDF5 in the DAMASK crystal plasticity toolkit F. Roters, C. Zhang, P. Eisenlohr, P. Shanthraj, M. Diehl Department Microstructure Physics and Alloy Design ICME 2016 Barcelona, Spain

2 Outline Structure of DAMASK Material Point Model Simulation Configuration + Output Visualization Workflow Current Implementation Implementation Using HDF5 Example Using Current Status of HDF5 Implementation Summary and Outlook

3 Crystal Plasticity Crystal Plasticity is a multi-scale problem!

4 Material Point Model solver for equilibrium compatibility F P material point model deformation partitioning & homogenization F P crystallite M elasto-plasticity F e S L p constitutive law elasticity plasticity

5 Configuration of a Simulation constitution lattice type elasticity parameter output homogenization microstructure phase + texture phase + texture phase + texture <homogenization> <microstructure> <phase> <crystallite > [SX] [Aluminum_j2] [Aluminum_J2isotropic] [all] (output) elasticity phase hooke (output) type crystallite plasticity texture none 1 j2 (output) (constituent) volume phase 1 texture flowstress 1 fraction 1.0 [PolyX] (output) eulerangles # orientation strainrate as Bunge triple in degree [DP_Steel] (output) type c11 grainrotation isostrain # deviation 110.9e9 from initial orientation as axis (output) Ngrains c12 f 4 # deformation 58.34e9 gradient tensor; synonyms (output) crystallite taylorfactor fe 1 # elastic 3 deformation gradient tensor [GrainCluster] (output) (constituent) tau0 fp phase # 2 plastic texture 31e6 deformation 1 fraction gradient 0.82 tensor (constituent) phase 3 texture 1 fraction 0.18 type RGC [none] Ngrains 8 clustersize 2 2 2

6 Output Handling Material Point output array can be different for every element (integration point) memory is allocated according to the largest array 1 HomogenizationCount 22 1_1_p 2 GrainCount 3 1_CrystalliteCount 30 1_9_p 4 1_texture 31 1_ConstitutiveCount 5 1_1_orientation 32 1_1_resistance_slip 6 1_2_orientation 33 1_2_resistance_slip 7 1_3_orientation 8 1_4_orientation 43 1_12_resistance_slip 9 1_1_grainrotation 44 1_1_shearrate_slip 10 1_2_grainrotation 11 1_3_grainrotation 55 1_12_shearrate_slip 12 1_4_grainrotation 13 1_1_f 14 1_2_f 21 1_9_f

7 Visualization Workflow (old) use FEM post processing software MSC: Mentat ABQ: Abaqus CAE Spectral: none write Material Point array to binary file Marc: *.t16 ABQ: *.odb Spectral: *.spectralout excessive data copying extract data of interest into ASCII file Marc & Spectral: postresults.py ABQ: none slow data access due to simple ascii file format post process data collection of python scripts, e.g. addmises.py excessive visualize data simple copyingdata your favorite software, e.g. Origin, MatLab, Excel convert space resolved data 3Dvisualize.py => *.vtk visualize data ParaView

8 Visualization Workflow (new) write Material Point array + geometry information + etc. to HDF5 file post process data generate XDMF file for data of interest visualize data Benefits: no excessive data copying faster data access common workflow for all solvers

9 Material Configuration File 2 homogenizations 1 with output, 1 without 3 sets of output 1 empty, 2 with different sizes 3 phases each with different outputs combinations of phases and textures orientation information

10 Structure of HDF5 File thanks to Gerd Heber, member of the HDF5 Group currently everything is stored as scalar values vectors and tensors possible in HDF5 issues with visualization

11 Structure of XDMF File

12 Visualization Example

13 Some Points of Importance Keep original data Only add data during post processing Store history Store data at nodes and/or IPs Geometry: which information to store? Initial positions + displacements vs. current positions Connectivity Minimize data conversion/transformation

14 Summary and Outlook What do we have: Working scheme for DAMASK HDF5 xdmf ParaView What do we want: general and self explanatory file format HDF5 or something else? if HDF5 someone needs to take care of xdmf or alternative tool multi-physics capability HDF5 can do it

15 DAMASK Düsseldorf Advanced MAterial Simulation Kit, DAMASK Available as freeware according to GPL 3 Integrates into MSC.Marc and Abaqus (std. and expl.) Standalone spectral solver Web: DAMASK@mpie.de