Merge remote-tracking branch 'origin/development' into Marc-spelling
This commit is contained in:
Martin Diehl
commit
cd2ecef92f
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@ -46,29 +46,18 @@ variables:
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||||||
# Names of module files to load
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# Names of module files to load
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||||||
# ===============================================================================================
|
# ===============================================================================================
|
||||||
# ++++++++++++ Compiler +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
# ++++++++++++ Compiler +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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||||||
IntelCompiler19_1: "Compiler/Intel/19.1.2 Libraries/IMKL/2020"
|
IntelCompiler: "Compiler/Intel/19.1.2 Libraries/IMKL/2020"
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||||||
GNUCompiler10: "Compiler/GNU/10"
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GNUCompiler: "Compiler/GNU/10"
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||||||
# ------------ Defaults ----------------------------------------------
|
|
||||||
IntelCompiler: "$IntelCompiler19_1"
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|
||||||
GNUCompiler: "$GNUCompiler10"
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||||||
# ++++++++++++ MPI ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
# ++++++++++++ MPI ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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||||||
IMPI2020Intel19_1: "MPI/Intel/19.1.2/IntelMPI/2019"
|
MPI_Intel: "MPI/Intel/19.1.2/IntelMPI/2019"
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||||||
OMPI4_0GNU10: "MPI/GNU/10/OpenMPI/4.0.5"
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MPI_GNU: "MPI/GNU/10/OpenMPI/4.1.1"
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||||||
# ------------ Defaults ----------------------------------------------
|
|
||||||
MPI_Intel: "$IMPI2020Intel19_1"
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|
||||||
MPI_GNU: "$OMPI4_0GNU10"
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|
||||||
# ++++++++++++ PETSc ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
# ++++++++++++ PETSc ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
||||||
PETSc3_14_2IMPI2020Intel19_1: "Libraries/PETSc/3.14.2/Intel-19.1.2-IntelMPI-2019"
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PETSc_Intel: "Libraries/PETSc/3.16.1/Intel-19.1.2-IntelMPI-2019"
|
||||||
PETSc3_14_2OMPI4_0GNU10: "Libraries/PETSc/3.14.2/GNU-10-OpenMPI-4.0.5"
|
PETSc_GNU: "Libraries/PETSc/3.16.1/GNU-10-OpenMPI-4.1.1"
|
||||||
# ------------ Defaults ----------------------------------------------
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# ++++++++++++ MSC Marc +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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||||||
PETSc_Intel: "$PETSc3_14_2IMPI2020Intel19_1"
|
MSC: "FEM/MSC/2021.2"
|
||||||
PETSc_GNU: "$PETSc3_14_2OMPI4_0GNU10"
|
IntelMarc: "Compiler/Intel/19.1.2 Libraries/IMKL/2020"
|
||||||
# ++++++++++++ commercial FEM ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
|
HDF5Marc: "HDF5/1.12.1/Intel-19.1.2"
|
||||||
MSC2021: "FEM/MSC/2021.2"
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|
||||||
# ------------ Defaults ----------------------------------------------
|
|
||||||
MSC: "$MSC2021"
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|
||||||
IntelMarc: "$IntelCompiler19_1"
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|
||||||
HDF5Marc: "HDF5/1.12.0/Intel-19.1.2"
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|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
checkout:
|
checkout:
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||||||
|
|
@ -92,7 +81,7 @@ checkout:
|
||||||
- release
|
- release
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
processing:
|
pytest:
|
||||||
stage: python
|
stage: python
|
||||||
script:
|
script:
|
||||||
- cd $DAMASKROOT/python
|
- cd $DAMASKROOT/python
|
||||||
|
|
@ -102,6 +91,15 @@ processing:
|
||||||
- master
|
- master
|
||||||
- release
|
- release
|
||||||
|
|
||||||
|
mypy:
|
||||||
|
stage: python
|
||||||
|
script:
|
||||||
|
- cd $DAMASKROOT/python
|
||||||
|
- mypy -m damask
|
||||||
|
except:
|
||||||
|
- master
|
||||||
|
- release
|
||||||
|
|
||||||
|
|
||||||
###################################################################################################
|
###################################################################################################
|
||||||
compile_grid_Intel:
|
compile_grid_Intel:
|
||||||
|
|
|
||||||
2
PRIVATE
2
PRIVATE
|
|
@ -1 +1 @@
|
||||||
Subproject commit fabe69749425e8a7aceb3b7c2758b40d97d8b809
|
Subproject commit 532cfadc1fda4f0f7f6a993e2bd029f14a50668f
|
||||||
|
|
@ -24,8 +24,403 @@ phase:
|
||||||
xi_inf_sl: [63.e+6]
|
xi_inf_sl: [63.e+6]
|
||||||
|
|
||||||
material:
|
material:
|
||||||
- homogenization: SX
|
- constituents:
|
||||||
constituents:
|
- O: [0.31638628373524325, 0.4606971763404367, -0.25136671882289513, 0.7902357900300152]
|
||||||
- phase: Aluminum
|
phase: Aluminum
|
||||||
v: 1.0
|
v: 1.0
|
||||||
O: [0.9330127018922194, 0.25, 0.06698729810778066, 0.25]
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.17926942151539643, -0.8129164299504208, -0.5453207208299451, -0.09825814907531387]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.11156578191572807, -0.4904242197947781, -0.8051447086471791, 0.3142915192646224]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.050875167730042026, -0.4676541613791777, -0.3231762099798638, -0.8211385022980162]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.5736388730744205, 0.030011807121272376, 0.1793738934298104, -0.7986630961094017]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.3524596363123286, 0.8260984090345517, 0.4361208241824434, 0.05596650851705724]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.1475195192105493, -0.2681290123533707, -0.8885681859138441, -0.3417475722928759]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.3878621882257487, -0.4133490094014299, -0.5962575110690821, 0.5684914246189594]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.44765430421636465, 0.1688301032261743, 0.5590033642770855, 0.6772128608407416]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.3154783988579777, -0.893128078628195, 0.126738882437621, 0.294504449369408]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.01177697706652547, -0.8423157700616575, 0.4660610852557732, -0.2704672089677829]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.6023412506865766, 0.33897759335409144, -0.587639839755177, 0.42066450724741294]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.1457746940340264, 0.33010317541439926, 0.7204157567665017, 0.592269169857055]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.10885124011262147, 0.38223867611365064, -0.5398450127934588, -0.7420325896959369]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.3329465044039982, 0.005520408719519113, 0.4218135102429913, 0.843320527954356]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.2773927866814888, 0.282254093261412, -0.9094550709020325, -0.12758268983226237]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.22508894523834683, 0.3481870269276267, -0.6119961977184769, -0.673469683793499]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.7972172843203117, -0.42474780085647684, -0.2632560619322889, 0.3387183979420616]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.1856727896017474, 0.5407410320424911, 0.8064864929236231, 0.15067942194898976]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.35572128347826554, -0.21063165012009927, 0.7164748021511587, -0.561925737380588]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.951689791582057, -0.18424932026485139, 0.24330606914616992, 0.03377699360630425]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.7518830912041409, -0.6350086418080308, 0.03666967302842633, -0.17346808660504054]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.45893176203555247, -0.10107069709110554, -0.8532524342056044, -0.22611199770616278]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.6863555826979106, 0.7132418012703317, -0.12068837363804946, -0.07507638436064179]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.5031196491913161, 0.7534072343296819, -0.418000862383123, 0.0672565008327974]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.5354367280219723, 0.1489275079865293, -0.5066200327507001, 0.6591390218047527]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.7481103019200436, -0.6384221488364733, 0.14256832672505068, -0.11145585785834745]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.02565565294273664, 0.5032076562445432, -0.10524431346049941, -0.8573490984734187]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.09677483527453862, 0.42211465960588607, 0.39550590793620377, -0.8099561236208737]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.5682732488475628, -0.018709507415836685, 0.5596636589678777, 0.6029030252098423]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.520651625785196, 0.5331055583395244, -0.1753591314180096, 0.6434046341634921]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.7323990700263593, 0.5135195038892626, -0.28947480564659256, -0.34072519461542217]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.2379144266672964, 0.9451799147482833, -0.022386636015155, 0.2225544716870999]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.6929401940723844, 0.6921675787458842, 0.04806193711709397, 0.196030560302569]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.114679536930033, -0.02786128070118354, -0.2458076367959361, -0.9621075607955694]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.5536359330028813, 0.3398797644491804, 0.6552731815916284, -0.3854686198548249]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.9501825140749718, -0.17348508997627773, -0.023693401768133945, 0.2578657329207251]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.5269902873788485, -0.38600076480335854, 0.7335400729523406, -0.18762624537269798]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.16353281877366127, -0.8502634877258836, 0.2921682908502614, -0.4061363175656595]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.2506727462997232, 0.38078481221063915, -0.8812340677720474, -0.12487040822466101]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.53797656304294, 0.04453446570800863, -0.73466834243862, -0.41092618023082744]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.5147765687773858, -0.012009003671292302, 0.8506194553313438, -0.10633630744205957]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.45770418863630163, 0.46122438992768267, -0.5413625109006552, 0.5335780820385708]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.12028049877433303, 0.5509971760365859, 0.5424247126754088, 0.6226637493007807]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.1208751835697386, -0.11646202949704858, 0.1842663733100575, -0.9684377570859003]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.24961872240151486, 0.29610154171987574, -0.885460753706652, 0.2568533123457741]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.4494732523235404, 0.8130366919200476, -0.22342614248113637, -0.2950015116798619]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.3566054427707518, 0.6009999195769142, 0.6204413194609187, 0.35592727341468655]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.041340362458678996, -0.7766310224212297, -0.446615292586641, 0.4423460295656439]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.3143906305984617, 0.637462215667549, -0.06250872515926072, -0.7006376483369167]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.15960096982054908, 0.0154505822997579, -0.6938445646590042, 0.7020459600568152]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.10937013835716297, 0.005361991476876583, 0.07892487169799395, -0.9908482661389645]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.5566919673747123, 0.12234937037008195, 0.03295758799282205, 0.8209984667611823]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.03242357741517866, -0.1003019572329824, -0.25727891603352054, -0.9605705535604615]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.07439180141351488, 0.222039714860086, 0.9710557663706901, 0.04706297382800665]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.386406745139845, -0.3485065110202708, 0.0213726326755233, -0.8536839284298527]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.9148730990764601, 0.0859699947503276, -0.2653710064737939, 0.29188114278237975]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.05351534255347124, -0.47484306303499174, -0.4424245873225889, -0.7588943655946909]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.1850990827256794, -0.7850365894615515, 0.5790701003651098, 0.11888524569444774]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.2293488176462691, 0.8155102586104775, 0.36252844203460916, -0.3884781418063178]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.6824605981608404, -0.07237666863890763, 0.6154543161215582, 0.38758887311431783]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.7240310183899645, -0.1492281437355668, -0.5793271457602446, 0.3433512832533411]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.4130306435878869, -0.08991141120131982, -0.8934593257803132, 0.15182904455126872]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.9217038188689652, -0.2551303946186847, 0.2760910380891145, 0.09562578475994342]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.49248590418849286, 0.7555385277692129, 0.01782522408264428, -0.4316264920256593]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.288763491302084, 0.26595000602129804, -0.8721581902166229, 0.29193549223478765]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.18741690177717063, -0.959586229086916, -0.01605960190298382, -0.2093114021302156]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.6141655879532604, 0.44351951295059505, 0.35530824864623534, 0.5475829806066271]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.2814752417920179, 0.7638077896809081, -0.5255180392616715, 0.24738661865884956]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.16603578951305883, -0.6913575628365758, -0.6767106315334661, -0.1911009107226411]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.7317089905438434, -0.4610621713555634, -0.01149547471101715, -0.5018879171322728]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.12911750380868442, -0.775968622433847, -0.5524437669202766, -0.27569412688569794]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.18347252569039887, -0.3000323311682173, -0.9120086722006003, -0.21108911483411225]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.2453327661435727, -0.041601186144862225, -0.967732952958631, 0.039675016391321906]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.9885220121542625, 0.08409037295425872, -0.06115390693360882, -0.1096049284004023]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.3506668690363713, 0.8300197131399097, 0.3314704911076744, -0.2796915019878287]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.43424700094705143, -0.6863040633023977, -0.3990882505417852, -0.4256111407642043]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.09516090822469872, -0.09694359326006573, 0.7244026181255996, -0.6758603318174947]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.6299976256081414, -0.6188326478138776, 0.4105304204739873, 0.22718697056217957]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
- constituents:
|
||||||
|
- O: [0.1624065072613073, -0.6001819140771016, 0.5096769212668724, -0.5946723739521216]
|
||||||
|
phase: Aluminum
|
||||||
|
v: 1.0
|
||||||
|
homogenization: SX
|
||||||
|
|
|
||||||
|
|
@ -1,5 +1,5 @@
|
||||||
title r-value
|
title R-Wert
|
||||||
$....MARC input file produced by Marc Mentat 2019 (64bit)
|
$....MARC input file produced by Marc Mentat 2021.2 (64bit)
|
||||||
$...................................
|
$...................................
|
||||||
$....input file using extended precision
|
$....input file using extended precision
|
||||||
extended
|
extended
|
||||||
|
|
@ -7,11 +7,11 @@ $...................................
|
||||||
sizing 0 80 165 0
|
sizing 0 80 165 0
|
||||||
alloc 25
|
alloc 25
|
||||||
elements 7
|
elements 7
|
||||||
version 14 1 0 1
|
version 15 1 0 1
|
||||||
table 0 0 2 1 1 0 0 1
|
table 0 0 2 1 1 0 0 1
|
||||||
processor 1 1 1 0
|
processor 1 1 1 0
|
||||||
$no list
|
$no list
|
||||||
large stra 2 1 0 0 0 0 0
|
large stra 2 1 0 0 0 0 0 0
|
||||||
all points
|
all points
|
||||||
no echo 1 2 3 4
|
no echo 1 2 3 4
|
||||||
state vars 2
|
state vars 2
|
||||||
|
|
@ -269,8 +269,6 @@ coordinates
|
||||||
163 3.999999999999999+1 9.999999999999996+0-5.000000000000000-1
|
163 3.999999999999999+1 9.999999999999996+0-5.000000000000000-1
|
||||||
164 3.999999999999999+1 9.999999999999996+0 0.000000000000000+0
|
164 3.999999999999999+1 9.999999999999996+0 0.000000000000000+0
|
||||||
165 3.999999999999999+1 9.999999999999996+0 5.000000000000000-1
|
165 3.999999999999999+1 9.999999999999996+0 5.000000000000000-1
|
||||||
define element set DAMASK_elements
|
|
||||||
1 to 80
|
|
||||||
define node set unten_y_nodes
|
define node set unten_y_nodes
|
||||||
2 5 8 11 14
|
2 5 8 11 14
|
||||||
define node set oben_y_nodes
|
define node set oben_y_nodes
|
||||||
|
|
@ -283,6 +281,166 @@ define node set unten_z_nodes
|
||||||
7 to 9
|
7 to 9
|
||||||
define node set oben_z_nodes
|
define node set oben_z_nodes
|
||||||
157 to 159
|
157 to 159
|
||||||
|
define element set material0_elements
|
||||||
|
1
|
||||||
|
define element set material1_elements
|
||||||
|
2
|
||||||
|
define element set material2_elements
|
||||||
|
3
|
||||||
|
define element set material3_elements
|
||||||
|
4
|
||||||
|
define element set material4_elements
|
||||||
|
5
|
||||||
|
define element set material5_elements
|
||||||
|
6
|
||||||
|
define element set material6_elements
|
||||||
|
7
|
||||||
|
define element set material7_elements
|
||||||
|
8
|
||||||
|
define element set material8_elements
|
||||||
|
9
|
||||||
|
define element set material9_elements
|
||||||
|
10
|
||||||
|
define element set material10_elements
|
||||||
|
11
|
||||||
|
define element set material11_elements
|
||||||
|
12
|
||||||
|
define element set material12_elements
|
||||||
|
13
|
||||||
|
define element set material13_elements
|
||||||
|
14
|
||||||
|
define element set material14_elements
|
||||||
|
15
|
||||||
|
define element set material15_elements
|
||||||
|
16
|
||||||
|
define element set material16_elements
|
||||||
|
17
|
||||||
|
define element set material17_elements
|
||||||
|
18
|
||||||
|
define element set material18_elements
|
||||||
|
19
|
||||||
|
define element set material19_elements
|
||||||
|
20
|
||||||
|
define element set material20_elements
|
||||||
|
21
|
||||||
|
define element set material21_elements
|
||||||
|
22
|
||||||
|
define element set material22_elements
|
||||||
|
23
|
||||||
|
define element set material23_elements
|
||||||
|
24
|
||||||
|
define element set material24_elements
|
||||||
|
25
|
||||||
|
define element set material25_elements
|
||||||
|
26
|
||||||
|
define element set material26_elements
|
||||||
|
27
|
||||||
|
define element set material27_elements
|
||||||
|
28
|
||||||
|
define element set material28_elements
|
||||||
|
29
|
||||||
|
define element set material29_elements
|
||||||
|
30
|
||||||
|
define element set material30_elements
|
||||||
|
31
|
||||||
|
define element set material31_elements
|
||||||
|
32
|
||||||
|
define element set material32_elements
|
||||||
|
33
|
||||||
|
define element set material33_elements
|
||||||
|
34
|
||||||
|
define element set material34_elements
|
||||||
|
35
|
||||||
|
define element set material35_elements
|
||||||
|
36
|
||||||
|
define element set material36_elements
|
||||||
|
37
|
||||||
|
define element set material37_elements
|
||||||
|
38
|
||||||
|
define element set material38_elements
|
||||||
|
39
|
||||||
|
define element set material39_elements
|
||||||
|
40
|
||||||
|
define element set material40_elements
|
||||||
|
41
|
||||||
|
define element set material41_elements
|
||||||
|
42
|
||||||
|
define element set material42_elements
|
||||||
|
43
|
||||||
|
define element set material43_elements
|
||||||
|
44
|
||||||
|
define element set material44_elements
|
||||||
|
45
|
||||||
|
define element set material45_elements
|
||||||
|
46
|
||||||
|
define element set material46_elements
|
||||||
|
47
|
||||||
|
define element set material47_elements
|
||||||
|
48
|
||||||
|
define element set material48_elements
|
||||||
|
49
|
||||||
|
define element set material49_elements
|
||||||
|
50
|
||||||
|
define element set material50_elements
|
||||||
|
51
|
||||||
|
define element set material51_elements
|
||||||
|
52
|
||||||
|
define element set material52_elements
|
||||||
|
53
|
||||||
|
define element set material53_elements
|
||||||
|
54
|
||||||
|
define element set material54_elements
|
||||||
|
55
|
||||||
|
define element set material55_elements
|
||||||
|
56
|
||||||
|
define element set material56_elements
|
||||||
|
57
|
||||||
|
define element set material57_elements
|
||||||
|
58
|
||||||
|
define element set material58_elements
|
||||||
|
59
|
||||||
|
define element set material59_elements
|
||||||
|
60
|
||||||
|
define element set material60_elements
|
||||||
|
61
|
||||||
|
define element set material61_elements
|
||||||
|
62
|
||||||
|
define element set material62_elements
|
||||||
|
63
|
||||||
|
define element set material63_elements
|
||||||
|
64
|
||||||
|
define element set material64_elements
|
||||||
|
65
|
||||||
|
define element set material65_elements
|
||||||
|
66
|
||||||
|
define element set material66_elements
|
||||||
|
67
|
||||||
|
define element set material67_elements
|
||||||
|
68
|
||||||
|
define element set material68_elements
|
||||||
|
69
|
||||||
|
define element set material69_elements
|
||||||
|
70
|
||||||
|
define element set material70_elements
|
||||||
|
71
|
||||||
|
define element set material71_elements
|
||||||
|
72
|
||||||
|
define element set material72_elements
|
||||||
|
73
|
||||||
|
define element set material73_elements
|
||||||
|
74
|
||||||
|
define element set material74_elements
|
||||||
|
75
|
||||||
|
define element set material75_elements
|
||||||
|
76
|
||||||
|
define element set material76_elements
|
||||||
|
77
|
||||||
|
define element set material77_elements
|
||||||
|
78
|
||||||
|
define element set material78_elements
|
||||||
|
79
|
||||||
|
define element set material79_elements
|
||||||
|
80
|
||||||
hypoelastic
|
hypoelastic
|
||||||
|
|
||||||
1 0 1 0 1TKS 0
|
1 0 1 0 1TKS 0
|
||||||
|
|
@ -294,13 +452,13 @@ mat color
|
||||||
1 1 230 0 0
|
1 1 230 0 0
|
||||||
table weg_x
|
table weg_x
|
||||||
1 1 0 0 2
|
1 1 0 0 2
|
||||||
1 2 2 0 0 2 0 0 2 0 0 2
|
1 2 2 0 0 2 0 0 2 0 0 2 0 0 0 0
|
||||||
0.000000000000000+0 0.000000000000000+0
|
0.000000000000000+0 0.000000000000000+0
|
||||||
2.000000000000000+2 1.600000000000000+1
|
2.000000000000000+2 1.600000000000000+1
|
||||||
geometry
|
geometry
|
||||||
0 0 2
|
0 0 2
|
||||||
1 9 1 230 0 0
|
1 9 1 230 0 0
|
||||||
r-value-sample
|
r-wert-probe
|
||||||
0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0
|
0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0 0.000000000000000+0
|
||||||
|
|
||||||
usdata 1
|
usdata 1
|
||||||
|
|
@ -344,20 +502,655 @@ unten_fest_nodes
|
||||||
oben_ziehen_nodes
|
oben_ziehen_nodes
|
||||||
initial state
|
initial state
|
||||||
|
|
||||||
2 6 1 0 0 0DAMASK
|
2 6 1 0 0 0material0
|
||||||
0.000000000000000+0
|
0.000000000000000+0
|
||||||
0
|
0
|
||||||
1
|
1
|
||||||
DAMASK_elements
|
material0_elements
|
||||||
loadcase r-value
|
initial state
|
||||||
5
|
|
||||||
DAMASK
|
2 6 1 0 0 0material1
|
||||||
|
1.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material1_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material2
|
||||||
|
2.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material2_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material3
|
||||||
|
3.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material3_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material4
|
||||||
|
4.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material4_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material5
|
||||||
|
5.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material5_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material6
|
||||||
|
6.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material6_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material7
|
||||||
|
7.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material7_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material8
|
||||||
|
8.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material8_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material9
|
||||||
|
9.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material9_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material10
|
||||||
|
10.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material10_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material11
|
||||||
|
11.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material11_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material12
|
||||||
|
12.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material12_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material13
|
||||||
|
13.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material13_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material14
|
||||||
|
14.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material14_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material15
|
||||||
|
15.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material15_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material16
|
||||||
|
16.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material16_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material17
|
||||||
|
17.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material17_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material18
|
||||||
|
18.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material18_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material19
|
||||||
|
19.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material19_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material20
|
||||||
|
20.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material20_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material21
|
||||||
|
21.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material21_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material22
|
||||||
|
22.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material22_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material23
|
||||||
|
23.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material23_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material24
|
||||||
|
24.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material24_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material25
|
||||||
|
25.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material25_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material26
|
||||||
|
26.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material26_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material27
|
||||||
|
27.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material27_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material28
|
||||||
|
28.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material28_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material29
|
||||||
|
29.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material29_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material30
|
||||||
|
30.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material30_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material31
|
||||||
|
31.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material31_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material32
|
||||||
|
32.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material32_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material33
|
||||||
|
33.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material33_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material34
|
||||||
|
34.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material34_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material35
|
||||||
|
35.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material35_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material36
|
||||||
|
36.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material36_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material37
|
||||||
|
37.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material37_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material38
|
||||||
|
38.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material38_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material39
|
||||||
|
39.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material39_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material40
|
||||||
|
40.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material40_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material41
|
||||||
|
41.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material41_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material42
|
||||||
|
42.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material42_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material43
|
||||||
|
43.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material43_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material44
|
||||||
|
44.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material44_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material45
|
||||||
|
45.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material45_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material46
|
||||||
|
46.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material46_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material47
|
||||||
|
47.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material47_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material48
|
||||||
|
48.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material48_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material49
|
||||||
|
49.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material49_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material50
|
||||||
|
50.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material50_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material51
|
||||||
|
51.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material51_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material52
|
||||||
|
52.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material52_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material53
|
||||||
|
53.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material53_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material54
|
||||||
|
54.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material54_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material55
|
||||||
|
55.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material55_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material56
|
||||||
|
56.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material56_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material57
|
||||||
|
57.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material57_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material58
|
||||||
|
58.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material58_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material59
|
||||||
|
59.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material59_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material60
|
||||||
|
60.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material60_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material61
|
||||||
|
61.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material61_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material62
|
||||||
|
62.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material62_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material63
|
||||||
|
63.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material63_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material64
|
||||||
|
64.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material64_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material65
|
||||||
|
65.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material65_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material66
|
||||||
|
66.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material66_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material67
|
||||||
|
67.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material67_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material68
|
||||||
|
68.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material68_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material69
|
||||||
|
69.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material69_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material70
|
||||||
|
70.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material70_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material71
|
||||||
|
71.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material71_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material72
|
||||||
|
72.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material72_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material73
|
||||||
|
73.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material73_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material74
|
||||||
|
74.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material74_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material75
|
||||||
|
75.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material75_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material76
|
||||||
|
76.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material76_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material77
|
||||||
|
77.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material77_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material78
|
||||||
|
78.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material78_elements
|
||||||
|
initial state
|
||||||
|
|
||||||
|
2 6 1 0 0 0material79
|
||||||
|
79.000000000000000+0
|
||||||
|
0
|
||||||
|
1
|
||||||
|
material79_elements
|
||||||
|
loadcase R-Wert
|
||||||
|
83
|
||||||
|
material0
|
||||||
|
material1
|
||||||
|
material2
|
||||||
|
material3
|
||||||
|
material4
|
||||||
|
material5
|
||||||
|
material6
|
||||||
|
material7
|
||||||
|
material8
|
||||||
|
material9
|
||||||
|
material10
|
||||||
|
material11
|
||||||
|
material12
|
||||||
|
material13
|
||||||
|
material14
|
||||||
|
material15
|
||||||
|
material16
|
||||||
|
material17
|
||||||
|
material18
|
||||||
|
material19
|
||||||
|
material20
|
||||||
|
material21
|
||||||
|
material22
|
||||||
|
material23
|
||||||
|
material24
|
||||||
|
material25
|
||||||
|
material26
|
||||||
|
material27
|
||||||
|
material28
|
||||||
|
material29
|
||||||
|
material30
|
||||||
|
material31
|
||||||
|
material32
|
||||||
|
material33
|
||||||
|
material34
|
||||||
|
material35
|
||||||
|
material36
|
||||||
|
material37
|
||||||
|
material38
|
||||||
|
material39
|
||||||
|
material40
|
||||||
|
material41
|
||||||
|
material42
|
||||||
|
material43
|
||||||
|
material44
|
||||||
|
material45
|
||||||
|
material46
|
||||||
|
material47
|
||||||
|
material48
|
||||||
|
material49
|
||||||
|
material50
|
||||||
|
material51
|
||||||
|
material52
|
||||||
|
material53
|
||||||
|
material54
|
||||||
|
material55
|
||||||
|
material56
|
||||||
|
material57
|
||||||
|
material58
|
||||||
|
material59
|
||||||
|
material60
|
||||||
|
material61
|
||||||
|
material62
|
||||||
|
material63
|
||||||
|
material64
|
||||||
|
material65
|
||||||
|
material66
|
||||||
|
material67
|
||||||
|
material68
|
||||||
|
material69
|
||||||
|
material70
|
||||||
|
material71
|
||||||
|
material72
|
||||||
|
material73
|
||||||
|
material74
|
||||||
|
material75
|
||||||
|
material76
|
||||||
|
material77
|
||||||
|
material78
|
||||||
|
material79
|
||||||
unten_z
|
unten_z
|
||||||
unten_y
|
unten_y
|
||||||
unten_fest
|
unten_fest
|
||||||
no print
|
no print
|
||||||
post
|
post
|
||||||
6 16 17 0 0 19 20 0 1 0 0 0 0 0 0 0
|
3 16 17 0 0 19 20 0 1 0 0 0 0 0 0 0
|
||||||
|
17 0
|
||||||
|
301 0
|
||||||
|
311 0
|
||||||
parameters
|
parameters
|
||||||
1.000000000000000+0 1.000000000000000+9 1.000000000000000+2 1.000000000000000+6 2.500000000000000-1 5.000000000000000-1 1.500000000000000+0-5.000000000000000-1
|
1.000000000000000+0 1.000000000000000+9 1.000000000000000+2 1.000000000000000+6 2.500000000000000-1 5.000000000000000-1 1.500000000000000+0-5.000000000000000-1
|
||||||
8.625000000000000+0 2.000000000000000+1 1.000000000000000-4 1.000000000000000-6 1.000000000000000+0 1.000000000000000-4
|
8.625000000000000+0 2.000000000000000+1 1.000000000000000-4 1.000000000000000-6 1.000000000000000+0 1.000000000000000-4
|
||||||
|
|
@ -367,9 +1160,9 @@ parameters
|
||||||
3.000000000000000+0 4.000000000000000-1
|
3.000000000000000+0 4.000000000000000-1
|
||||||
end option
|
end option
|
||||||
$...................
|
$...................
|
||||||
$....start of loadcase Tensile
|
$....start of loadcase Ziehen
|
||||||
title Tensile
|
title Ziehen
|
||||||
loadcase Tensile
|
loadcase Ziehen
|
||||||
6
|
6
|
||||||
unten_z
|
unten_z
|
||||||
unten_y
|
unten_y
|
||||||
|
|
@ -392,5 +1185,5 @@ auto load
|
||||||
time step
|
time step
|
||||||
2.000000000000000+0
|
2.000000000000000+0
|
||||||
continue
|
continue
|
||||||
$....end of loadcase Tensile
|
$....end of loadcase Ziehen
|
||||||
$...................
|
$...................
|
||||||
|
|
@ -1,26 +0,0 @@
|
||||||
type: dislotungsten
|
|
||||||
|
|
||||||
N_sl: [12]
|
|
||||||
|
|
||||||
rho_mob_0: [1.0e+9]
|
|
||||||
rho_dip_0: [1.0]
|
|
||||||
|
|
||||||
nu_a: [9.1e+11]
|
|
||||||
b_sl: [2.72e-10]
|
|
||||||
Delta_H_kp,0: [2.61154e-19] # 1.63 eV, Delta_H0
|
|
||||||
|
|
||||||
tau_Peierls: [2.03e+9]
|
|
||||||
p_sl: [0.86]
|
|
||||||
q_sl: [1.69]
|
|
||||||
h: [2.566e-10]
|
|
||||||
w: [2.992e-09]
|
|
||||||
B: [8.3e-5]
|
|
||||||
D_a: 1.0 # d_edge
|
|
||||||
|
|
||||||
# climb (disabled)
|
|
||||||
D_0: 0.0
|
|
||||||
Q_cl: 0.0
|
|
||||||
V_cl: [0.0]
|
|
||||||
|
|
||||||
h_sl-sl: [0.009, 0.72, 0.009, 0.05, 0.05, 0.06, 0.09]
|
|
||||||
a_nonSchmid: [0.938, 0.71, 4.43]
|
|
||||||
|
|
@ -1,4 +1,4 @@
|
||||||
references:
|
references:
|
||||||
- https://en.wikipedia.org/wiki/Tungsten
|
- https://en.wikipedia.org/wiki/Tungsten
|
||||||
lattice: cF
|
lattice: cI
|
||||||
rho: 19300.0
|
rho: 19300.0
|
||||||
|
|
|
||||||
|
|
@ -0,0 +1,35 @@
|
||||||
|
type: dislotungsten
|
||||||
|
references:
|
||||||
|
- D. Cereceda et al.,
|
||||||
|
International Journal of Plasticity 78:242-265, 2016,
|
||||||
|
http://dx.doi.org/10.1016/j.ijplas.2015.09.002
|
||||||
|
- R. Gröger et al.,
|
||||||
|
Acta Materialia 56(19):5412-5425, 2008,
|
||||||
|
https://doi.org/10.1016/j.actamat.2008.07.037
|
||||||
|
output: [Lambda_sl]
|
||||||
|
N_sl: [12]
|
||||||
|
b_sl: [2.72e-10]
|
||||||
|
rho_mob_0: [1.0e+9] # estimated from section 3.2
|
||||||
|
rho_dip_0: [1.0] # not given
|
||||||
|
Q_s: [2.61154e-19] # 1.63 eV, Delta_H0
|
||||||
|
B: [8.3e-5]
|
||||||
|
omega: [9.1e+11] # nu_0
|
||||||
|
p_sl: [0.86]
|
||||||
|
q_sl: [1.69]
|
||||||
|
tau_Peierls: [2.03e+9]
|
||||||
|
h: [2.566e-10]
|
||||||
|
h_sl-sl: [0.009, 0.72, 0.009, 0.05, 0.05, 0.06, 0.09]
|
||||||
|
w: [2.992e-09] # 11b
|
||||||
|
|
||||||
|
# values in Cereceda et al. are high, using parameters from Gröger et al.
|
||||||
|
a_nonSchmid: [0.0, 0.56, 0.75] # Table 2
|
||||||
|
|
||||||
|
# (almost) no annhilation, adjustment needed for simulations beyond the yield point
|
||||||
|
i_sl: [1] # c, eq. (25)
|
||||||
|
D: 1.0e+20 # d_g, eq. (25)
|
||||||
|
D_a: 1.0 # d_edge = D_a*b
|
||||||
|
|
||||||
|
# disable climb (not discussed in Cereceda et al.)
|
||||||
|
D_0: 0.0
|
||||||
|
f_at: 1
|
||||||
|
Q_cl: 1.0
|
||||||
|
|
@ -1 +1 @@
|
||||||
v3.0.0-alpha5-7-gee537ff5e
|
v3.0.0-alpha5-72-g8138d3a18
|
||||||
|
|
|
||||||
|
|
@ -9,27 +9,6 @@ from . import util
|
||||||
from . import tensor
|
from . import tensor
|
||||||
|
|
||||||
|
|
||||||
lattice_symmetries = {
|
|
||||||
'aP': 'triclinic',
|
|
||||||
|
|
||||||
'mP': 'monoclinic',
|
|
||||||
'mS': 'monoclinic',
|
|
||||||
|
|
||||||
'oP': 'orthorhombic',
|
|
||||||
'oS': 'orthorhombic',
|
|
||||||
'oI': 'orthorhombic',
|
|
||||||
'oF': 'orthorhombic',
|
|
||||||
|
|
||||||
'tP': 'tetragonal',
|
|
||||||
'tI': 'tetragonal',
|
|
||||||
|
|
||||||
'hP': 'hexagonal',
|
|
||||||
|
|
||||||
'cP': 'cubic',
|
|
||||||
'cI': 'cubic',
|
|
||||||
'cF': 'cubic',
|
|
||||||
}
|
|
||||||
|
|
||||||
_parameter_doc = \
|
_parameter_doc = \
|
||||||
"""
|
"""
|
||||||
family : {'triclinic', 'monoclinic', 'orthorhombic', 'tetragonal', 'hexagonal', 'cubic'}, optional.
|
family : {'triclinic', 'monoclinic', 'orthorhombic', 'tetragonal', 'hexagonal', 'cubic'}, optional.
|
||||||
|
|
@ -146,7 +125,7 @@ class Orientation(Rotation,Crystal):
|
||||||
"""Create deep copy."""
|
"""Create deep copy."""
|
||||||
dup = copy.deepcopy(self)
|
dup = copy.deepcopy(self)
|
||||||
if rotation is not None:
|
if rotation is not None:
|
||||||
dup.quaternion = Orientation(rotation,family='cubic').quaternion
|
dup.quaternion = Rotation(rotation).quaternion
|
||||||
return dup
|
return dup
|
||||||
|
|
||||||
copy = __copy__
|
copy = __copy__
|
||||||
|
|
|
||||||
|
|
@ -1,3 +1,5 @@
|
||||||
|
import copy
|
||||||
|
|
||||||
import numpy as np
|
import numpy as np
|
||||||
|
|
||||||
from . import tensor
|
from . import tensor
|
||||||
|
|
@ -85,9 +87,12 @@ class Rotation:
|
||||||
+ str(self.quaternion)
|
+ str(self.quaternion)
|
||||||
|
|
||||||
|
|
||||||
def __copy__(self,**kwargs):
|
def __copy__(self,rotation=None):
|
||||||
"""Create deep copy."""
|
"""Create deep copy."""
|
||||||
return self.__class__(rotation=kwargs['rotation'] if 'rotation' in kwargs else self.quaternion)
|
dup = copy.deepcopy(self)
|
||||||
|
if rotation is not None:
|
||||||
|
dup.quaternion = Rotation(rotation).quaternion
|
||||||
|
return dup
|
||||||
|
|
||||||
copy = __copy__
|
copy = __copy__
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -11,10 +11,14 @@ the following operations are required for tensorial data:
|
||||||
- D1 = D3.reshape(cells+(-1,)).reshape(-1,9,order='F')
|
- D1 = D3.reshape(cells+(-1,)).reshape(-1,9,order='F')
|
||||||
|
|
||||||
"""
|
"""
|
||||||
|
|
||||||
|
from typing import Sequence, Tuple, Union
|
||||||
|
|
||||||
from scipy import spatial as _spatial
|
from scipy import spatial as _spatial
|
||||||
import numpy as _np
|
import numpy as _np
|
||||||
|
|
||||||
def _ks(size,cells,first_order=False):
|
|
||||||
|
def _ks(size: _np.ndarray, cells: Union[_np.ndarray,Sequence[int]], first_order: bool = False) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Get wave numbers operator.
|
Get wave numbers operator.
|
||||||
|
|
||||||
|
|
@ -41,7 +45,7 @@ def _ks(size,cells,first_order=False):
|
||||||
return _np.stack(_np.meshgrid(k_sk,k_sj,k_si,indexing = 'ij'), axis=-1)
|
return _np.stack(_np.meshgrid(k_sk,k_sj,k_si,indexing = 'ij'), axis=-1)
|
||||||
|
|
||||||
|
|
||||||
def curl(size,f):
|
def curl(size: _np.ndarray, f: _np.ndarray) -> _np.ndarray:
|
||||||
u"""
|
u"""
|
||||||
Calculate curl of a vector or tensor field in Fourier space.
|
Calculate curl of a vector or tensor field in Fourier space.
|
||||||
|
|
||||||
|
|
@ -72,7 +76,7 @@ def curl(size,f):
|
||||||
return _np.fft.irfftn(curl_,axes=(0,1,2),s=f.shape[:3])
|
return _np.fft.irfftn(curl_,axes=(0,1,2),s=f.shape[:3])
|
||||||
|
|
||||||
|
|
||||||
def divergence(size,f):
|
def divergence(size: _np.ndarray, f: _np.ndarray) -> _np.ndarray:
|
||||||
u"""
|
u"""
|
||||||
Calculate divergence of a vector or tensor field in Fourier space.
|
Calculate divergence of a vector or tensor field in Fourier space.
|
||||||
|
|
||||||
|
|
@ -99,7 +103,7 @@ def divergence(size,f):
|
||||||
return _np.fft.irfftn(div_,axes=(0,1,2),s=f.shape[:3])
|
return _np.fft.irfftn(div_,axes=(0,1,2),s=f.shape[:3])
|
||||||
|
|
||||||
|
|
||||||
def gradient(size,f):
|
def gradient(size: _np.ndarray, f: _np.ndarray) -> _np.ndarray:
|
||||||
u"""
|
u"""
|
||||||
Calculate gradient of a scalar or vector fieldin Fourier space.
|
Calculate gradient of a scalar or vector fieldin Fourier space.
|
||||||
|
|
||||||
|
|
@ -126,7 +130,9 @@ def gradient(size,f):
|
||||||
return _np.fft.irfftn(grad_,axes=(0,1,2),s=f.shape[:3])
|
return _np.fft.irfftn(grad_,axes=(0,1,2),s=f.shape[:3])
|
||||||
|
|
||||||
|
|
||||||
def coordinates0_point(cells,size,origin=_np.zeros(3)):
|
def coordinates0_point(cells: Union[ _np.ndarray,Sequence[int]],
|
||||||
|
size: _np.ndarray,
|
||||||
|
origin: _np.ndarray = _np.zeros(3)) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Cell center positions (undeformed).
|
Cell center positions (undeformed).
|
||||||
|
|
||||||
|
|
@ -145,8 +151,8 @@ def coordinates0_point(cells,size,origin=_np.zeros(3)):
|
||||||
Undeformed cell center coordinates.
|
Undeformed cell center coordinates.
|
||||||
|
|
||||||
"""
|
"""
|
||||||
start = origin + size/cells*.5
|
start = origin + size/_np.array(cells)*.5
|
||||||
end = origin + size - size/cells*.5
|
end = origin + size - size/_np.array(cells)*.5
|
||||||
|
|
||||||
return _np.stack(_np.meshgrid(_np.linspace(start[0],end[0],cells[0]),
|
return _np.stack(_np.meshgrid(_np.linspace(start[0],end[0],cells[0]),
|
||||||
_np.linspace(start[1],end[1],cells[1]),
|
_np.linspace(start[1],end[1],cells[1]),
|
||||||
|
|
@ -154,7 +160,7 @@ def coordinates0_point(cells,size,origin=_np.zeros(3)):
|
||||||
axis = -1)
|
axis = -1)
|
||||||
|
|
||||||
|
|
||||||
def displacement_fluct_point(size,F):
|
def displacement_fluct_point(size: _np.ndarray, F: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Cell center displacement field from fluctuation part of the deformation gradient field.
|
Cell center displacement field from fluctuation part of the deformation gradient field.
|
||||||
|
|
||||||
|
|
@ -186,7 +192,7 @@ def displacement_fluct_point(size,F):
|
||||||
return _np.fft.irfftn(displacement,axes=(0,1,2),s=F.shape[:3])
|
return _np.fft.irfftn(displacement,axes=(0,1,2),s=F.shape[:3])
|
||||||
|
|
||||||
|
|
||||||
def displacement_avg_point(size,F):
|
def displacement_avg_point(size: _np.ndarray, F: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Cell center displacement field from average part of the deformation gradient field.
|
Cell center displacement field from average part of the deformation gradient field.
|
||||||
|
|
||||||
|
|
@ -207,7 +213,7 @@ def displacement_avg_point(size,F):
|
||||||
return _np.einsum('ml,ijkl->ijkm',F_avg - _np.eye(3),coordinates0_point(F.shape[:3],size))
|
return _np.einsum('ml,ijkl->ijkm',F_avg - _np.eye(3),coordinates0_point(F.shape[:3],size))
|
||||||
|
|
||||||
|
|
||||||
def displacement_point(size,F):
|
def displacement_point(size: _np.ndarray, F: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Cell center displacement field from deformation gradient field.
|
Cell center displacement field from deformation gradient field.
|
||||||
|
|
||||||
|
|
@ -227,7 +233,7 @@ def displacement_point(size,F):
|
||||||
return displacement_avg_point(size,F) + displacement_fluct_point(size,F)
|
return displacement_avg_point(size,F) + displacement_fluct_point(size,F)
|
||||||
|
|
||||||
|
|
||||||
def coordinates_point(size,F,origin=_np.zeros(3)):
|
def coordinates_point(size: _np.ndarray, F: _np.ndarray, origin: _np.ndarray = _np.zeros(3)) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Cell center positions.
|
Cell center positions.
|
||||||
|
|
||||||
|
|
@ -249,7 +255,8 @@ def coordinates_point(size,F,origin=_np.zeros(3)):
|
||||||
return coordinates0_point(F.shape[:3],size,origin) + displacement_point(size,F)
|
return coordinates0_point(F.shape[:3],size,origin) + displacement_point(size,F)
|
||||||
|
|
||||||
|
|
||||||
def cellsSizeOrigin_coordinates0_point(coordinates0,ordered=True):
|
def cellsSizeOrigin_coordinates0_point(coordinates0: _np.ndarray,
|
||||||
|
ordered: bool = True) -> Tuple[_np.ndarray,_np.ndarray,_np.ndarray]:
|
||||||
"""
|
"""
|
||||||
Return grid 'DNA', i.e. cells, size, and origin from 1D array of point positions.
|
Return grid 'DNA', i.e. cells, size, and origin from 1D array of point positions.
|
||||||
|
|
||||||
|
|
@ -292,13 +299,15 @@ def cellsSizeOrigin_coordinates0_point(coordinates0,ordered=True):
|
||||||
raise ValueError('Regular cell spacing violated.')
|
raise ValueError('Regular cell spacing violated.')
|
||||||
|
|
||||||
if ordered and not _np.allclose(coordinates0.reshape(tuple(cells)+(3,),order='F'),
|
if ordered and not _np.allclose(coordinates0.reshape(tuple(cells)+(3,),order='F'),
|
||||||
coordinates0_point(cells,size,origin),atol=atol):
|
coordinates0_point(list(cells),size,origin),atol=atol):
|
||||||
raise ValueError('Input data is not ordered (x fast, z slow).')
|
raise ValueError('Input data is not ordered (x fast, z slow).')
|
||||||
|
|
||||||
return (cells,size,origin)
|
return (cells,size,origin)
|
||||||
|
|
||||||
|
|
||||||
def coordinates0_node(cells,size,origin=_np.zeros(3)):
|
def coordinates0_node(cells: Union[_np.ndarray,Sequence[int]],
|
||||||
|
size: _np.ndarray,
|
||||||
|
origin: _np.ndarray = _np.zeros(3)) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Nodal positions (undeformed).
|
Nodal positions (undeformed).
|
||||||
|
|
||||||
|
|
@ -323,7 +332,7 @@ def coordinates0_node(cells,size,origin=_np.zeros(3)):
|
||||||
axis = -1)
|
axis = -1)
|
||||||
|
|
||||||
|
|
||||||
def displacement_fluct_node(size,F):
|
def displacement_fluct_node(size: _np.ndarray, F: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Nodal displacement field from fluctuation part of the deformation gradient field.
|
Nodal displacement field from fluctuation part of the deformation gradient field.
|
||||||
|
|
||||||
|
|
@ -343,7 +352,7 @@ def displacement_fluct_node(size,F):
|
||||||
return point_to_node(displacement_fluct_point(size,F))
|
return point_to_node(displacement_fluct_point(size,F))
|
||||||
|
|
||||||
|
|
||||||
def displacement_avg_node(size,F):
|
def displacement_avg_node(size: _np.ndarray, F: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Nodal displacement field from average part of the deformation gradient field.
|
Nodal displacement field from average part of the deformation gradient field.
|
||||||
|
|
||||||
|
|
@ -364,7 +373,7 @@ def displacement_avg_node(size,F):
|
||||||
return _np.einsum('ml,ijkl->ijkm',F_avg - _np.eye(3),coordinates0_node(F.shape[:3],size))
|
return _np.einsum('ml,ijkl->ijkm',F_avg - _np.eye(3),coordinates0_node(F.shape[:3],size))
|
||||||
|
|
||||||
|
|
||||||
def displacement_node(size,F):
|
def displacement_node(size: _np.ndarray, F: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Nodal displacement field from deformation gradient field.
|
Nodal displacement field from deformation gradient field.
|
||||||
|
|
||||||
|
|
@ -384,7 +393,7 @@ def displacement_node(size,F):
|
||||||
return displacement_avg_node(size,F) + displacement_fluct_node(size,F)
|
return displacement_avg_node(size,F) + displacement_fluct_node(size,F)
|
||||||
|
|
||||||
|
|
||||||
def coordinates_node(size,F,origin=_np.zeros(3)):
|
def coordinates_node(size: _np.ndarray, F: _np.ndarray, origin: _np.ndarray = _np.zeros(3)) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Nodal positions.
|
Nodal positions.
|
||||||
|
|
||||||
|
|
@ -406,7 +415,8 @@ def coordinates_node(size,F,origin=_np.zeros(3)):
|
||||||
return coordinates0_node(F.shape[:3],size,origin) + displacement_node(size,F)
|
return coordinates0_node(F.shape[:3],size,origin) + displacement_node(size,F)
|
||||||
|
|
||||||
|
|
||||||
def cellsSizeOrigin_coordinates0_node(coordinates0,ordered=True):
|
def cellsSizeOrigin_coordinates0_node(coordinates0: _np.ndarray,
|
||||||
|
ordered: bool = True) -> Tuple[_np.ndarray,_np.ndarray,_np.ndarray]:
|
||||||
"""
|
"""
|
||||||
Return grid 'DNA', i.e. cells, size, and origin from 1D array of nodal positions.
|
Return grid 'DNA', i.e. cells, size, and origin from 1D array of nodal positions.
|
||||||
|
|
||||||
|
|
@ -441,13 +451,13 @@ def cellsSizeOrigin_coordinates0_node(coordinates0,ordered=True):
|
||||||
raise ValueError('Regular cell spacing violated.')
|
raise ValueError('Regular cell spacing violated.')
|
||||||
|
|
||||||
if ordered and not _np.allclose(coordinates0.reshape(tuple(cells+1)+(3,),order='F'),
|
if ordered and not _np.allclose(coordinates0.reshape(tuple(cells+1)+(3,),order='F'),
|
||||||
coordinates0_node(cells,size,origin),atol=atol):
|
coordinates0_node(list(cells),size,origin),atol=atol):
|
||||||
raise ValueError('Input data is not ordered (x fast, z slow).')
|
raise ValueError('Input data is not ordered (x fast, z slow).')
|
||||||
|
|
||||||
return (cells,size,origin)
|
return (cells,size,origin)
|
||||||
|
|
||||||
|
|
||||||
def point_to_node(cell_data):
|
def point_to_node(cell_data: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Interpolate periodic point data to nodal data.
|
Interpolate periodic point data to nodal data.
|
||||||
|
|
||||||
|
|
@ -469,7 +479,7 @@ def point_to_node(cell_data):
|
||||||
return _np.pad(n,((0,1),(0,1),(0,1))+((0,0),)*len(cell_data.shape[3:]),mode='wrap')
|
return _np.pad(n,((0,1),(0,1),(0,1))+((0,0),)*len(cell_data.shape[3:]),mode='wrap')
|
||||||
|
|
||||||
|
|
||||||
def node_to_point(node_data):
|
def node_to_point(node_data: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Interpolate periodic nodal data to point data.
|
Interpolate periodic nodal data to point data.
|
||||||
|
|
||||||
|
|
@ -491,7 +501,7 @@ def node_to_point(node_data):
|
||||||
return c[1:,1:,1:]
|
return c[1:,1:,1:]
|
||||||
|
|
||||||
|
|
||||||
def coordinates0_valid(coordinates0):
|
def coordinates0_valid(coordinates0: _np.ndarray) -> bool:
|
||||||
"""
|
"""
|
||||||
Check whether coordinates form a regular grid.
|
Check whether coordinates form a regular grid.
|
||||||
|
|
||||||
|
|
@ -513,7 +523,7 @@ def coordinates0_valid(coordinates0):
|
||||||
return False
|
return False
|
||||||
|
|
||||||
|
|
||||||
def regrid(size,F,cells):
|
def regrid(size: _np.ndarray, F: _np.ndarray, cells: Union[_np.ndarray,Sequence[int]]) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Return mapping from coordinates in deformed configuration to a regular grid.
|
Return mapping from coordinates in deformed configuration to a regular grid.
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -5,13 +5,15 @@ All routines operate on numpy.ndarrays of shape (...,3,3).
|
||||||
|
|
||||||
"""
|
"""
|
||||||
|
|
||||||
from . import tensor as _tensor
|
from typing import Sequence
|
||||||
from . import _rotation
|
|
||||||
|
|
||||||
import numpy as _np
|
import numpy as _np
|
||||||
|
|
||||||
|
from . import tensor as _tensor
|
||||||
|
from . import _rotation
|
||||||
|
|
||||||
def deformation_Cauchy_Green_left(F):
|
|
||||||
|
def deformation_Cauchy_Green_left(F: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Calculate left Cauchy-Green deformation tensor (Finger deformation tensor).
|
Calculate left Cauchy-Green deformation tensor (Finger deformation tensor).
|
||||||
|
|
||||||
|
|
@ -29,7 +31,7 @@ def deformation_Cauchy_Green_left(F):
|
||||||
return _np.matmul(F,_tensor.transpose(F))
|
return _np.matmul(F,_tensor.transpose(F))
|
||||||
|
|
||||||
|
|
||||||
def deformation_Cauchy_Green_right(F):
|
def deformation_Cauchy_Green_right(F: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Calculate right Cauchy-Green deformation tensor.
|
Calculate right Cauchy-Green deformation tensor.
|
||||||
|
|
||||||
|
|
@ -47,7 +49,7 @@ def deformation_Cauchy_Green_right(F):
|
||||||
return _np.matmul(_tensor.transpose(F),F)
|
return _np.matmul(_tensor.transpose(F),F)
|
||||||
|
|
||||||
|
|
||||||
def equivalent_strain_Mises(epsilon):
|
def equivalent_strain_Mises(epsilon: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Calculate the Mises equivalent of a strain tensor.
|
Calculate the Mises equivalent of a strain tensor.
|
||||||
|
|
||||||
|
|
@ -65,7 +67,7 @@ def equivalent_strain_Mises(epsilon):
|
||||||
return _equivalent_Mises(epsilon,2.0/3.0)
|
return _equivalent_Mises(epsilon,2.0/3.0)
|
||||||
|
|
||||||
|
|
||||||
def equivalent_stress_Mises(sigma):
|
def equivalent_stress_Mises(sigma: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Calculate the Mises equivalent of a stress tensor.
|
Calculate the Mises equivalent of a stress tensor.
|
||||||
|
|
||||||
|
|
@ -83,7 +85,7 @@ def equivalent_stress_Mises(sigma):
|
||||||
return _equivalent_Mises(sigma,3.0/2.0)
|
return _equivalent_Mises(sigma,3.0/2.0)
|
||||||
|
|
||||||
|
|
||||||
def maximum_shear(T_sym):
|
def maximum_shear(T_sym: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Calculate the maximum shear component of a symmetric tensor.
|
Calculate the maximum shear component of a symmetric tensor.
|
||||||
|
|
||||||
|
|
@ -102,7 +104,7 @@ def maximum_shear(T_sym):
|
||||||
return (w[...,0] - w[...,2])*0.5
|
return (w[...,0] - w[...,2])*0.5
|
||||||
|
|
||||||
|
|
||||||
def rotation(T):
|
def rotation(T: _np.ndarray) -> _rotation.Rotation:
|
||||||
"""
|
"""
|
||||||
Calculate the rotational part of a tensor.
|
Calculate the rotational part of a tensor.
|
||||||
|
|
||||||
|
|
@ -120,7 +122,7 @@ def rotation(T):
|
||||||
return _rotation.Rotation.from_matrix(_polar_decomposition(T,'R')[0])
|
return _rotation.Rotation.from_matrix(_polar_decomposition(T,'R')[0])
|
||||||
|
|
||||||
|
|
||||||
def strain(F,t,m):
|
def strain(F: _np.ndarray, t: str, m: float) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Calculate strain tensor (Seth–Hill family).
|
Calculate strain tensor (Seth–Hill family).
|
||||||
|
|
||||||
|
|
@ -160,7 +162,7 @@ def strain(F,t,m):
|
||||||
return eps
|
return eps
|
||||||
|
|
||||||
|
|
||||||
def stress_Cauchy(P,F):
|
def stress_Cauchy(P: _np.ndarray, F: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Calculate the Cauchy stress (true stress).
|
Calculate the Cauchy stress (true stress).
|
||||||
|
|
||||||
|
|
@ -182,7 +184,7 @@ def stress_Cauchy(P,F):
|
||||||
return _tensor.symmetric(_np.einsum('...,...ij,...kj',1.0/_np.linalg.det(F),P,F))
|
return _tensor.symmetric(_np.einsum('...,...ij,...kj',1.0/_np.linalg.det(F),P,F))
|
||||||
|
|
||||||
|
|
||||||
def stress_second_Piola_Kirchhoff(P,F):
|
def stress_second_Piola_Kirchhoff(P: _np.ndarray, F: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Calculate the second Piola-Kirchhoff stress.
|
Calculate the second Piola-Kirchhoff stress.
|
||||||
|
|
||||||
|
|
@ -205,7 +207,7 @@ def stress_second_Piola_Kirchhoff(P,F):
|
||||||
return _tensor.symmetric(_np.einsum('...ij,...jk',_np.linalg.inv(F),P))
|
return _tensor.symmetric(_np.einsum('...ij,...jk',_np.linalg.inv(F),P))
|
||||||
|
|
||||||
|
|
||||||
def stretch_left(T):
|
def stretch_left(T: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Calculate left stretch of a tensor.
|
Calculate left stretch of a tensor.
|
||||||
|
|
||||||
|
|
@ -223,7 +225,7 @@ def stretch_left(T):
|
||||||
return _polar_decomposition(T,'V')[0]
|
return _polar_decomposition(T,'V')[0]
|
||||||
|
|
||||||
|
|
||||||
def stretch_right(T):
|
def stretch_right(T: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Calculate right stretch of a tensor.
|
Calculate right stretch of a tensor.
|
||||||
|
|
||||||
|
|
@ -241,7 +243,7 @@ def stretch_right(T):
|
||||||
return _polar_decomposition(T,'U')[0]
|
return _polar_decomposition(T,'U')[0]
|
||||||
|
|
||||||
|
|
||||||
def _polar_decomposition(T,requested):
|
def _polar_decomposition(T: _np.ndarray, requested: Sequence[str]) -> tuple:
|
||||||
"""
|
"""
|
||||||
Perform singular value decomposition.
|
Perform singular value decomposition.
|
||||||
|
|
||||||
|
|
@ -257,21 +259,21 @@ def _polar_decomposition(T,requested):
|
||||||
u, _, vh = _np.linalg.svd(T)
|
u, _, vh = _np.linalg.svd(T)
|
||||||
R = _np.einsum('...ij,...jk',u,vh)
|
R = _np.einsum('...ij,...jk',u,vh)
|
||||||
|
|
||||||
output = ()
|
output = []
|
||||||
if 'R' in requested:
|
if 'R' in requested:
|
||||||
output+=(R,)
|
output+=[R]
|
||||||
if 'V' in requested:
|
if 'V' in requested:
|
||||||
output+=(_np.einsum('...ij,...kj',T,R),)
|
output+=[_np.einsum('...ij,...kj',T,R)]
|
||||||
if 'U' in requested:
|
if 'U' in requested:
|
||||||
output+=(_np.einsum('...ji,...jk',R,T),)
|
output+=[_np.einsum('...ji,...jk',R,T)]
|
||||||
|
|
||||||
if len(output) == 0:
|
if len(output) == 0:
|
||||||
raise ValueError('output needs to be out of V, R, U')
|
raise ValueError('output needs to be out of V, R, U')
|
||||||
|
|
||||||
return output
|
return tuple(output)
|
||||||
|
|
||||||
|
|
||||||
def _equivalent_Mises(T_sym,s):
|
def _equivalent_Mises(T_sym: _np.ndarray, s: float) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Base equation for Mises equivalent of a stress or strain tensor.
|
Base equation for Mises equivalent of a stress or strain tensor.
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -1,5 +1,7 @@
|
||||||
"""Functionality for generation of seed points for Voronoi or Laguerre tessellation."""
|
"""Functionality for generation of seed points for Voronoi or Laguerre tessellation."""
|
||||||
|
|
||||||
|
from typing import Sequence,Tuple
|
||||||
|
|
||||||
from scipy import spatial as _spatial
|
from scipy import spatial as _spatial
|
||||||
import numpy as _np
|
import numpy as _np
|
||||||
|
|
||||||
|
|
@ -7,7 +9,7 @@ from . import util as _util
|
||||||
from . import grid_filters as _grid_filters
|
from . import grid_filters as _grid_filters
|
||||||
|
|
||||||
|
|
||||||
def from_random(size,N_seeds,cells=None,rng_seed=None):
|
def from_random(size: _np.ndarray, N_seeds: int, cells: _np.ndarray = None, rng_seed=None) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Place seeds randomly in space.
|
Place seeds randomly in space.
|
||||||
|
|
||||||
|
|
@ -41,7 +43,8 @@ def from_random(size,N_seeds,cells=None,rng_seed=None):
|
||||||
return coords
|
return coords
|
||||||
|
|
||||||
|
|
||||||
def from_Poisson_disc(size,N_seeds,N_candidates,distance,periodic=True,rng_seed=None):
|
def from_Poisson_disc(size: _np.ndarray, N_seeds: int, N_candidates: int, distance: float,
|
||||||
|
periodic: bool = True, rng_seed=None) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Place seeds according to a Poisson disc distribution.
|
Place seeds according to a Poisson disc distribution.
|
||||||
|
|
||||||
|
|
@ -75,18 +78,17 @@ def from_Poisson_disc(size,N_seeds,N_candidates,distance,periodic=True,rng_seed=
|
||||||
i = 0
|
i = 0
|
||||||
progress = _util._ProgressBar(N_seeds+1,'',50)
|
progress = _util._ProgressBar(N_seeds+1,'',50)
|
||||||
while s < N_seeds:
|
while s < N_seeds:
|
||||||
|
i += 1
|
||||||
candidates = rng.random((N_candidates,3))*_np.broadcast_to(size,(N_candidates,3))
|
candidates = rng.random((N_candidates,3))*_np.broadcast_to(size,(N_candidates,3))
|
||||||
tree = _spatial.cKDTree(coords[:s],boxsize=size) if periodic else \
|
tree = _spatial.cKDTree(coords[:s],boxsize=size) if periodic else \
|
||||||
_spatial.cKDTree(coords[:s])
|
_spatial.cKDTree(coords[:s])
|
||||||
distances = tree.query(candidates)[0]
|
distances = tree.query(candidates)[0]
|
||||||
best = distances.argmax()
|
best = distances.argmax()
|
||||||
if distances[best] > distance: # require minimum separation
|
if distances[best] > distance: # require minimum separation
|
||||||
|
i = 0
|
||||||
coords[s] = candidates[best] # maximum separation to existing point cloud
|
coords[s] = candidates[best] # maximum separation to existing point cloud
|
||||||
s += 1
|
s += 1
|
||||||
progress.update(s)
|
progress.update(s)
|
||||||
i = 0
|
|
||||||
else:
|
|
||||||
i += 1
|
|
||||||
|
|
||||||
if i == 100:
|
if i == 100:
|
||||||
raise ValueError('Seeding not possible')
|
raise ValueError('Seeding not possible')
|
||||||
|
|
@ -94,22 +96,23 @@ def from_Poisson_disc(size,N_seeds,N_candidates,distance,periodic=True,rng_seed=
|
||||||
return coords
|
return coords
|
||||||
|
|
||||||
|
|
||||||
def from_grid(grid,selection=None,invert=False,average=False,periodic=True):
|
def from_grid(grid, selection: Sequence[int] = None,
|
||||||
|
invert: bool = False, average: bool = False, periodic: bool = True) -> Tuple[_np.ndarray, _np.ndarray]:
|
||||||
"""
|
"""
|
||||||
Create seeds from grid description.
|
Create seeds from grid description.
|
||||||
|
|
||||||
Parameters
|
Parameters
|
||||||
----------
|
----------
|
||||||
grid : damask.Grid
|
grid : damask.Grid
|
||||||
Grid, from which the material IDs are used as seeds.
|
Grid from which the material IDs are used as seeds.
|
||||||
selection : iterable of integers, optional
|
selection : iterable of integers, optional
|
||||||
Material IDs to consider.
|
Material IDs to consider.
|
||||||
invert : boolean, false
|
invert : boolean, false
|
||||||
Do not consider the material IDs given in selection. Defaults to False.
|
Consider all material IDs except those in selection. Defaults to False.
|
||||||
average : boolean, optional
|
average : boolean, optional
|
||||||
Seed corresponds to center of gravity of material ID cloud.
|
Seed corresponds to center of gravity of material ID cloud.
|
||||||
periodic : boolean, optional
|
periodic : boolean, optional
|
||||||
Center of gravity with periodic boundaries.
|
Center of gravity accounts for periodic boundaries.
|
||||||
|
|
||||||
Returns
|
Returns
|
||||||
-------
|
-------
|
||||||
|
|
|
||||||
|
|
@ -8,7 +8,7 @@ All routines operate on numpy.ndarrays of shape (...,3,3).
|
||||||
import numpy as _np
|
import numpy as _np
|
||||||
|
|
||||||
|
|
||||||
def deviatoric(T):
|
def deviatoric(T: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Calculate deviatoric part of a tensor.
|
Calculate deviatoric part of a tensor.
|
||||||
|
|
||||||
|
|
@ -26,7 +26,7 @@ def deviatoric(T):
|
||||||
return T - spherical(T,tensor=True)
|
return T - spherical(T,tensor=True)
|
||||||
|
|
||||||
|
|
||||||
def eigenvalues(T_sym):
|
def eigenvalues(T_sym: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Eigenvalues, i.e. principal components, of a symmetric tensor.
|
Eigenvalues, i.e. principal components, of a symmetric tensor.
|
||||||
|
|
||||||
|
|
@ -45,7 +45,7 @@ def eigenvalues(T_sym):
|
||||||
return _np.linalg.eigvalsh(symmetric(T_sym))
|
return _np.linalg.eigvalsh(symmetric(T_sym))
|
||||||
|
|
||||||
|
|
||||||
def eigenvectors(T_sym,RHS=False):
|
def eigenvectors(T_sym: _np.ndarray, RHS: bool = False) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Eigenvectors of a symmetric tensor.
|
Eigenvectors of a symmetric tensor.
|
||||||
|
|
||||||
|
|
@ -70,7 +70,7 @@ def eigenvectors(T_sym,RHS=False):
|
||||||
return v
|
return v
|
||||||
|
|
||||||
|
|
||||||
def spherical(T,tensor=True):
|
def spherical(T: _np.ndarray, tensor: bool = True) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Calculate spherical part of a tensor.
|
Calculate spherical part of a tensor.
|
||||||
|
|
||||||
|
|
@ -92,7 +92,7 @@ def spherical(T,tensor=True):
|
||||||
return _np.einsum('...jk,...',_np.eye(3),sph) if tensor else sph
|
return _np.einsum('...jk,...',_np.eye(3),sph) if tensor else sph
|
||||||
|
|
||||||
|
|
||||||
def symmetric(T):
|
def symmetric(T: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Symmetrize tensor.
|
Symmetrize tensor.
|
||||||
|
|
||||||
|
|
@ -110,7 +110,7 @@ def symmetric(T):
|
||||||
return (T+transpose(T))*0.5
|
return (T+transpose(T))*0.5
|
||||||
|
|
||||||
|
|
||||||
def transpose(T):
|
def transpose(T: _np.ndarray) -> _np.ndarray:
|
||||||
"""
|
"""
|
||||||
Transpose tensor.
|
Transpose tensor.
|
||||||
|
|
||||||
|
|
|
||||||
|
|
@ -0,0 +1,14 @@
|
||||||
|
[mypy-scipy.*]
|
||||||
|
ignore_missing_imports = True
|
||||||
|
[mypy-h5py.*]
|
||||||
|
ignore_missing_imports = True
|
||||||
|
[mypy-vtk.*]
|
||||||
|
ignore_missing_imports = True
|
||||||
|
[mypy-PIL.*]
|
||||||
|
ignore_missing_imports = True
|
||||||
|
[mypy-matplotlib.*]
|
||||||
|
ignore_missing_imports = True
|
||||||
|
[mypy-pandas.*]
|
||||||
|
ignore_missing_imports = True
|
||||||
|
[mypy-wx.*]
|
||||||
|
ignore_missing_imports = True
|
||||||
|
|
@ -7,9 +7,9 @@ from damask import Orientation
|
||||||
from damask import Table
|
from damask import Table
|
||||||
from damask import util
|
from damask import util
|
||||||
from damask import grid_filters
|
from damask import grid_filters
|
||||||
from damask import _orientation
|
from damask import _crystal
|
||||||
|
|
||||||
crystal_families = set(_orientation.lattice_symmetries.values())
|
crystal_families = set(_crystal.lattice_symmetries.values())
|
||||||
|
|
||||||
|
|
||||||
@pytest.fixture
|
@pytest.fixture
|
||||||
|
|
|
||||||
|
|
@ -13,24 +13,23 @@ list(FILTER damask-sources EXCLUDE REGEX ".*commercialFEM_fileList.*.f90")
|
||||||
|
|
||||||
|
|
||||||
if(PROJECT_NAME STREQUAL "damask-grid")
|
if(PROJECT_NAME STREQUAL "damask-grid")
|
||||||
|
set(executable-name "DAMASK_grid")
|
||||||
file(GLOB grid-sources CONFIGURE_DEPENDS grid/*.f90)
|
file(GLOB solver-sources CONFIGURE_DEPENDS grid/*.f90)
|
||||||
|
elseif(PROJECT_NAME STREQUAL "damask-mesh")
|
||||||
|
set(executable-name "DAMASK_mesh")
|
||||||
|
file(GLOB solver-sources CONFIGURE_DEPENDS mesh/*.f90)
|
||||||
|
endif()
|
||||||
|
|
||||||
if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
|
if(NOT CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
|
||||||
add_executable(DAMASK_grid ${damask-sources} ${grid-sources})
|
add_executable(${executable-name} ${damask-sources} ${solver-sources})
|
||||||
install (TARGETS DAMASK_grid RUNTIME DESTINATION bin)
|
install(TARGETS ${executable-name} RUNTIME DESTINATION bin)
|
||||||
else()
|
else()
|
||||||
add_library(DAMASK_grid OBJECT ${damask-sources} ${grid-sources})
|
add_library(${executable-name} OBJECT ${damask-sources} ${solver-sources})
|
||||||
exec_program(mktemp OUTPUT_VARIABLE nothing)
|
exec_program(mktemp OUTPUT_VARIABLE nothing)
|
||||||
exec_program(mktemp ARGS -d OUTPUT_VARIABLE black_hole)
|
exec_program(mktemp ARGS -d OUTPUT_VARIABLE black_hole)
|
||||||
install(PROGRAMS ${nothing} DESTINATION ${black_hole})
|
install(PROGRAMS ${nothing} DESTINATION ${black_hole})
|
||||||
endif()
|
endif()
|
||||||
|
|
||||||
elseif (PROJECT_NAME STREQUAL "damask-mesh")
|
string(REPLACE ";" "\n" sources "${damask-sources};${solver-sources}")
|
||||||
|
message(${CMAKE_BINARY_DIR})
|
||||||
file(GLOB mesh-sources CONFIGURE_DEPENDS mesh/*.f90)
|
file(WRITE ${CMAKE_BINARY_DIR}/sources.txt ${sources})
|
||||||
|
|
||||||
add_executable(DAMASK_mesh ${damask-sources} ${mesh-sources})
|
|
||||||
install (TARGETS DAMASK_mesh RUNTIME DESTINATION bin)
|
|
||||||
|
|
||||||
endif ()
|
|
||||||
|
|
|
||||||
|
|
@ -432,7 +432,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
|
||||||
msg = 'Nconstituents mismatch between homogenization and material'
|
msg = 'Nconstituents mismatch between homogenization and material'
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! material error messages and related messages in mesh
|
! material error messages and related messages in geometry
|
||||||
case (150)
|
case (150)
|
||||||
msg = 'index out of bounds'
|
msg = 'index out of bounds'
|
||||||
case (153)
|
case (153)
|
||||||
|
|
@ -499,6 +499,11 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
|
||||||
case (710)
|
case (710)
|
||||||
msg = 'Closing quotation mark missing in string'
|
msg = 'Closing quotation mark missing in string'
|
||||||
|
|
||||||
|
!-------------------------------------------------------------------------------------------------
|
||||||
|
! errors related to the mesh solver
|
||||||
|
case (821)
|
||||||
|
msg = 'order not supported'
|
||||||
|
|
||||||
!-------------------------------------------------------------------------------------------------
|
!-------------------------------------------------------------------------------------------------
|
||||||
! errors related to the grid solver
|
! errors related to the grid solver
|
||||||
case (831)
|
case (831)
|
||||||
|
|
|
||||||
|
|
@ -215,7 +215,7 @@ subroutine readVTI(grid,geomSize,origin,material, &
|
||||||
call cellsSizeOrigin(grid,geomSize,origin,fileContent(startPos:endPos))
|
call cellsSizeOrigin(grid,geomSize,origin,fileContent(startPos:endPos))
|
||||||
end if
|
end if
|
||||||
else
|
else
|
||||||
if (index(fileContent(startPos:endPos),'<CellData>',kind=pI64) /= 0_pI64) then
|
if (index(fileContent(startPos:endPos),'<CellData',kind=pI64) /= 0_pI64) then
|
||||||
gotCellData = .true.
|
gotCellData = .true.
|
||||||
do while (index(fileContent(startPos:endPos),'</CellData>',kind=pI64) == 0_pI64)
|
do while (index(fileContent(startPos:endPos),'</CellData>',kind=pI64) == 0_pI64)
|
||||||
if (index(fileContent(startPos:endPos),'<DataArray',kind=pI64) /= 0_pI64 .and. &
|
if (index(fileContent(startPos:endPos),'<DataArray',kind=pI64) /= 0_pI64 .and. &
|
||||||
|
|
@ -379,6 +379,7 @@ subroutine readVTI(grid,geomSize,origin,material, &
|
||||||
integer(pI64), dimension(:), allocatable :: temp, size_inflated, size_deflated
|
integer(pI64), dimension(:), allocatable :: temp, size_inflated, size_deflated
|
||||||
integer(pI64) :: headerLen, nBlock, b,s,e
|
integer(pI64) :: headerLen, nBlock, b,s,e
|
||||||
|
|
||||||
|
|
||||||
if (headerType == 'UInt32') then
|
if (headerType == 'UInt32') then
|
||||||
temp = int(prec_bytesToC_INT32_T(base64_to_bytes(base64_str(:base64_nChar(4_pI64)))),pI64)
|
temp = int(prec_bytesToC_INT32_T(base64_to_bytes(base64_str(:base64_nChar(4_pI64)))),pI64)
|
||||||
nBlock = int(temp(1),pI64)
|
nBlock = int(temp(1),pI64)
|
||||||
|
|
@ -510,6 +511,7 @@ function IPcoordinates0(grid,geomSize,grid3Offset)
|
||||||
a,b,c, &
|
a,b,c, &
|
||||||
i
|
i
|
||||||
|
|
||||||
|
|
||||||
i = 0
|
i = 0
|
||||||
do c = 1, grid(3); do b = 1, grid(2); do a = 1, grid(1)
|
do c = 1, grid(3); do b = 1, grid(2); do a = 1, grid(1)
|
||||||
i = i + 1
|
i = i + 1
|
||||||
|
|
@ -553,6 +555,7 @@ pure function cellSurfaceArea(geomSize,grid)
|
||||||
|
|
||||||
real(pReal), dimension(6,1,product(grid)) :: cellSurfaceArea
|
real(pReal), dimension(6,1,product(grid)) :: cellSurfaceArea
|
||||||
|
|
||||||
|
|
||||||
cellSurfaceArea(1:2,1,:) = geomSize(2)/real(grid(2)) * geomSize(3)/real(grid(3))
|
cellSurfaceArea(1:2,1,:) = geomSize(2)/real(grid(2)) * geomSize(3)/real(grid(3))
|
||||||
cellSurfaceArea(3:4,1,:) = geomSize(3)/real(grid(3)) * geomSize(1)/real(grid(1))
|
cellSurfaceArea(3:4,1,:) = geomSize(3)/real(grid(3)) * geomSize(1)/real(grid(1))
|
||||||
cellSurfaceArea(5:6,1,:) = geomSize(1)/real(grid(1)) * geomSize(2)/real(grid(2))
|
cellSurfaceArea(5:6,1,:) = geomSize(1)/real(grid(1)) * geomSize(2)/real(grid(2))
|
||||||
|
|
|
||||||
|
|
@ -392,8 +392,8 @@ subroutine utilities_updateGamma(C)
|
||||||
xiDyad_cmplx(l,m) = conjg(-xi1st(l,i,j,k-grid3Offset))*xi1st(m,i,j,k-grid3Offset)
|
xiDyad_cmplx(l,m) = conjg(-xi1st(l,i,j,k-grid3Offset))*xi1st(m,i,j,k-grid3Offset)
|
||||||
forall(l = 1:3, m = 1:3) &
|
forall(l = 1:3, m = 1:3) &
|
||||||
temp33_complex(l,m) = sum(cmplx(C_ref(l,1:3,m,1:3),0.0_pReal)*xiDyad_cmplx)
|
temp33_complex(l,m) = sum(cmplx(C_ref(l,1:3,m,1:3),0.0_pReal)*xiDyad_cmplx)
|
||||||
A(1:3,1:3) = real(temp33_complex); A(4:6,4:6) = real(temp33_complex)
|
A(1:3,1:3) = temp33_complex%re; A(4:6,4:6) = temp33_complex%re
|
||||||
A(1:3,4:6) = aimag(temp33_complex); A(4:6,1:3) = -aimag(temp33_complex)
|
A(1:3,4:6) = temp33_complex%im; A(4:6,1:3) = -temp33_complex%im
|
||||||
if (abs(math_det33(A(1:3,1:3))) > 1e-16) then
|
if (abs(math_det33(A(1:3,1:3))) > 1e-16) then
|
||||||
call math_invert(A_inv, err, A)
|
call math_invert(A_inv, err, A)
|
||||||
temp33_complex = cmplx(A_inv(1:3,1:3),A_inv(1:3,4:6),pReal)
|
temp33_complex = cmplx(A_inv(1:3,1:3),A_inv(1:3,4:6),pReal)
|
||||||
|
|
@ -509,8 +509,8 @@ subroutine utilities_fourierGammaConvolution(fieldAim)
|
||||||
xiDyad_cmplx(l,m) = conjg(-xi1st(l,i,j,k))*xi1st(m,i,j,k)
|
xiDyad_cmplx(l,m) = conjg(-xi1st(l,i,j,k))*xi1st(m,i,j,k)
|
||||||
forall(l = 1:3, m = 1:3) &
|
forall(l = 1:3, m = 1:3) &
|
||||||
temp33_complex(l,m) = sum(cmplx(C_ref(l,1:3,m,1:3),0.0_pReal)*xiDyad_cmplx)
|
temp33_complex(l,m) = sum(cmplx(C_ref(l,1:3,m,1:3),0.0_pReal)*xiDyad_cmplx)
|
||||||
A(1:3,1:3) = real(temp33_complex); A(4:6,4:6) = real(temp33_complex)
|
A(1:3,1:3) = temp33_complex%re; A(4:6,4:6) = temp33_complex%re
|
||||||
A(1:3,4:6) = aimag(temp33_complex); A(4:6,1:3) = -aimag(temp33_complex)
|
A(1:3,4:6) = temp33_complex%im; A(4:6,1:3) = -temp33_complex%im
|
||||||
if (abs(math_det33(A(1:3,1:3))) > 1e-16) then
|
if (abs(math_det33(A(1:3,1:3))) > 1e-16) then
|
||||||
call math_invert(A_inv, err, A)
|
call math_invert(A_inv, err, A)
|
||||||
temp33_complex = cmplx(A_inv(1:3,1:3),A_inv(1:3,4:6),pReal)
|
temp33_complex = cmplx(A_inv(1:3,1:3),A_inv(1:3,4:6),pReal)
|
||||||
|
|
@ -630,7 +630,7 @@ real(pReal) function utilities_curlRMS()
|
||||||
-tensorField_fourier(l,1,i,j,k)*xi1st(2,i,j,k)*rescaledGeom(2))
|
-tensorField_fourier(l,1,i,j,k)*xi1st(2,i,j,k)*rescaledGeom(2))
|
||||||
enddo
|
enddo
|
||||||
utilities_curlRMS = utilities_curlRMS &
|
utilities_curlRMS = utilities_curlRMS &
|
||||||
+2.0_pReal*sum(real(curl_fourier)**2.0_pReal+aimag(curl_fourier)**2.0_pReal)! Has somewhere a conj. complex counterpart. Therefore count it twice.
|
+2.0_pReal*sum(curl_fourier%re**2.0_pReal+curl_fourier%im**2.0_pReal) ! Has somewhere a conj. complex counterpart. Therefore count it twice.
|
||||||
enddo
|
enddo
|
||||||
do l = 1, 3
|
do l = 1, 3
|
||||||
curl_fourier = (+tensorField_fourier(l,3,1,j,k)*xi1st(2,1,j,k)*rescaledGeom(2) &
|
curl_fourier = (+tensorField_fourier(l,3,1,j,k)*xi1st(2,1,j,k)*rescaledGeom(2) &
|
||||||
|
|
@ -641,7 +641,7 @@ real(pReal) function utilities_curlRMS()
|
||||||
-tensorField_fourier(l,1,1,j,k)*xi1st(2,1,j,k)*rescaledGeom(2))
|
-tensorField_fourier(l,1,1,j,k)*xi1st(2,1,j,k)*rescaledGeom(2))
|
||||||
enddo
|
enddo
|
||||||
utilities_curlRMS = utilities_curlRMS &
|
utilities_curlRMS = utilities_curlRMS &
|
||||||
+ sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal) ! this layer (DC) does not have a conjugate complex counterpart (if grid(1) /= 1)
|
+ sum(curl_fourier%re**2.0_pReal + curl_fourier%im**2.0_pReal) ! this layer (DC) does not have a conjugate complex counterpart (if grid(1) /= 1)
|
||||||
do l = 1, 3
|
do l = 1, 3
|
||||||
curl_fourier = (+tensorField_fourier(l,3,grid1Red,j,k)*xi1st(2,grid1Red,j,k)*rescaledGeom(2) &
|
curl_fourier = (+tensorField_fourier(l,3,grid1Red,j,k)*xi1st(2,grid1Red,j,k)*rescaledGeom(2) &
|
||||||
-tensorField_fourier(l,2,grid1Red,j,k)*xi1st(3,grid1Red,j,k)*rescaledGeom(3))
|
-tensorField_fourier(l,2,grid1Red,j,k)*xi1st(3,grid1Red,j,k)*rescaledGeom(3))
|
||||||
|
|
@ -651,7 +651,7 @@ real(pReal) function utilities_curlRMS()
|
||||||
-tensorField_fourier(l,1,grid1Red,j,k)*xi1st(2,grid1Red,j,k)*rescaledGeom(2))
|
-tensorField_fourier(l,1,grid1Red,j,k)*xi1st(2,grid1Red,j,k)*rescaledGeom(2))
|
||||||
enddo
|
enddo
|
||||||
utilities_curlRMS = utilities_curlRMS &
|
utilities_curlRMS = utilities_curlRMS &
|
||||||
+ sum(real(curl_fourier)**2.0_pReal + aimag(curl_fourier)**2.0_pReal) ! this layer (Nyquist) does not have a conjugate complex counterpart (if grid(1) /= 1)
|
+ sum(curl_fourier%re**2.0_pReal + curl_fourier%im**2.0_pReal) ! this layer (Nyquist) does not have a conjugate complex counterpart (if grid(1) /= 1)
|
||||||
enddo; enddo
|
enddo; enddo
|
||||||
|
|
||||||
call MPI_Allreduce(MPI_IN_PLACE,utilities_curlRMS,1,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,ierr)
|
call MPI_Allreduce(MPI_IN_PLACE,utilities_curlRMS,1,MPI_DOUBLE,MPI_SUM,MPI_COMM_WORLD,ierr)
|
||||||
|
|
|
||||||
|
|
@ -19,6 +19,7 @@ module FEM_utilities
|
||||||
use IO
|
use IO
|
||||||
use discretization_mesh
|
use discretization_mesh
|
||||||
use homogenization
|
use homogenization
|
||||||
|
use FEM_quadrature
|
||||||
|
|
||||||
implicit none
|
implicit none
|
||||||
private
|
private
|
||||||
|
|
@ -86,7 +87,9 @@ subroutine FEM_utilities_init
|
||||||
class(tNode), pointer :: &
|
class(tNode), pointer :: &
|
||||||
num_mesh, &
|
num_mesh, &
|
||||||
debug_mesh ! pointer to mesh debug options
|
debug_mesh ! pointer to mesh debug options
|
||||||
integer :: structOrder !< order of displacement shape functions
|
integer :: &
|
||||||
|
p_s, & !< order of shape functions
|
||||||
|
p_i !< integration order (quadrature rule)
|
||||||
character(len=*), parameter :: &
|
character(len=*), parameter :: &
|
||||||
PETSCDEBUG = ' -snes_view -snes_monitor '
|
PETSCDEBUG = ' -snes_view -snes_monitor '
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
|
|
@ -96,7 +99,14 @@ subroutine FEM_utilities_init
|
||||||
print'(/,a)', ' <<<+- FEM_utilities init -+>>>'
|
print'(/,a)', ' <<<+- FEM_utilities init -+>>>'
|
||||||
|
|
||||||
num_mesh => config_numerics%get('mesh',defaultVal=emptyDict)
|
num_mesh => config_numerics%get('mesh',defaultVal=emptyDict)
|
||||||
structOrder = num_mesh%get_asInt('structOrder', defaultVal = 2)
|
|
||||||
|
p_s = num_mesh%get_asInt('p_s',defaultVal = 2)
|
||||||
|
p_i = num_mesh%get_asInt('p_i',defaultVal = p_s)
|
||||||
|
|
||||||
|
if (p_s < 1_pInt .or. p_s > size(FEM_nQuadrature,2)) &
|
||||||
|
call IO_error(821,ext_msg='shape function order (p_s) out of bounds')
|
||||||
|
if (p_i < max(1_pInt,p_s-1_pInt) .or. p_i > p_s) &
|
||||||
|
call IO_error(821,ext_msg='integration order (p_i) out of bounds')
|
||||||
|
|
||||||
debug_mesh => config_debug%get('mesh',defaultVal=emptyList)
|
debug_mesh => config_debug%get('mesh',defaultVal=emptyList)
|
||||||
debugPETSc = debug_mesh%contains('PETSc')
|
debugPETSc = debug_mesh%contains('PETSc')
|
||||||
|
|
@ -113,13 +123,11 @@ subroutine FEM_utilities_init
|
||||||
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mechanical_snes_type newtonls &
|
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mechanical_snes_type newtonls &
|
||||||
&-mechanical_snes_linesearch_type cp -mechanical_snes_ksp_ew &
|
&-mechanical_snes_linesearch_type cp -mechanical_snes_ksp_ew &
|
||||||
&-mechanical_snes_ksp_ew_rtol0 0.01 -mechanical_snes_ksp_ew_rtolmax 0.01 &
|
&-mechanical_snes_ksp_ew_rtol0 0.01 -mechanical_snes_ksp_ew_rtolmax 0.01 &
|
||||||
&-mechanical_ksp_type fgmres -mechanical_ksp_max_it 25 &
|
&-mechanical_ksp_type fgmres -mechanical_ksp_max_it 25', ierr)
|
||||||
&-mechanical_pc_type ml -mechanical_mg_levels_ksp_type chebyshev &
|
|
||||||
&-mechanical_mg_levels_pc_type sor -mechanical_pc_ml_nullspace user',ierr)
|
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_mesh%get_asString('PETSc_options',defaultVal=''),ierr)
|
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_mesh%get_asString('PETSc_options',defaultVal=''),ierr)
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
write(petsc_optionsOrder,'(a,i0)') '-mechFE_petscspace_degree ', structOrder
|
write(petsc_optionsOrder,'(a,i0)') '-mechFE_petscspace_degree ', p_s
|
||||||
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_optionsOrder),ierr)
|
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(petsc_optionsOrder),ierr)
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
|
|
||||||
|
|
@ -141,6 +149,7 @@ subroutine utilities_constitutiveResponse(timeinc,P_av,forwardData)
|
||||||
|
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
|
|
||||||
|
|
||||||
print'(/,a)', ' ... evaluating constitutive response ......................................'
|
print'(/,a)', ' ... evaluating constitutive response ......................................'
|
||||||
|
|
||||||
call homogenization_mechanical_response(timeinc,[1,mesh_maxNips],[1,mesh_NcpElems]) ! calculate P field
|
call homogenization_mechanical_response(timeinc,[1,mesh_maxNips],[1,mesh_NcpElems]) ! calculate P field
|
||||||
|
|
@ -168,6 +177,7 @@ subroutine utilities_projectBCValues(localVec,section,field,comp,bcPointsIS,BCVa
|
||||||
PetscScalar :: BCValue,BCDotValue,timeinc
|
PetscScalar :: BCValue,BCDotValue,timeinc
|
||||||
PetscErrorCode :: ierr
|
PetscErrorCode :: ierr
|
||||||
|
|
||||||
|
|
||||||
call PetscSectionGetFieldComponents(section,field,numComp,ierr); CHKERRQ(ierr)
|
call PetscSectionGetFieldComponents(section,field,numComp,ierr); CHKERRQ(ierr)
|
||||||
call ISGetSize(bcPointsIS,nBcPoints,ierr); CHKERRQ(ierr)
|
call ISGetSize(bcPointsIS,nBcPoints,ierr); CHKERRQ(ierr)
|
||||||
if (nBcPoints > 0) call ISGetIndicesF90(bcPointsIS,bcPoints,ierr)
|
if (nBcPoints > 0) call ISGetIndicesF90(bcPointsIS,bcPoints,ierr)
|
||||||
|
|
|
||||||
|
|
@ -85,7 +85,7 @@ subroutine discretization_mesh_init(restart)
|
||||||
materialAt
|
materialAt
|
||||||
class(tNode), pointer :: &
|
class(tNode), pointer :: &
|
||||||
num_mesh
|
num_mesh
|
||||||
integer :: integrationOrder !< order of quadrature rule required
|
integer :: p_i !< integration order (quadrature rule)
|
||||||
type(tvec) :: coords_node0
|
type(tvec) :: coords_node0
|
||||||
|
|
||||||
print'(/,a)', ' <<<+- discretization_mesh init -+>>>'
|
print'(/,a)', ' <<<+- discretization_mesh init -+>>>'
|
||||||
|
|
@ -93,7 +93,7 @@ subroutine discretization_mesh_init(restart)
|
||||||
!--------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------
|
||||||
! read numerics parameter
|
! read numerics parameter
|
||||||
num_mesh => config_numerics%get('mesh',defaultVal=emptyDict)
|
num_mesh => config_numerics%get('mesh',defaultVal=emptyDict)
|
||||||
integrationOrder = num_mesh%get_asInt('integrationorder',defaultVal = 2)
|
p_i = num_mesh%get_asInt('p_i',defaultVal = 2)
|
||||||
|
|
||||||
!---------------------------------------------------------------------------------
|
!---------------------------------------------------------------------------------
|
||||||
! read debug parameters
|
! read debug parameters
|
||||||
|
|
@ -150,9 +150,9 @@ subroutine discretization_mesh_init(restart)
|
||||||
call VecGetArrayF90(coords_node0, mesh_node0_temp,ierr)
|
call VecGetArrayF90(coords_node0, mesh_node0_temp,ierr)
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
|
|
||||||
mesh_maxNips = FEM_nQuadrature(dimPlex,integrationOrder)
|
mesh_maxNips = FEM_nQuadrature(dimPlex,p_i)
|
||||||
|
|
||||||
call mesh_FEM_build_ipCoordinates(dimPlex,FEM_quadrature_points(dimPlex,integrationOrder)%p)
|
call mesh_FEM_build_ipCoordinates(dimPlex,FEM_quadrature_points(dimPlex,p_i)%p)
|
||||||
call mesh_FEM_build_ipVolumes(dimPlex)
|
call mesh_FEM_build_ipVolumes(dimPlex)
|
||||||
|
|
||||||
allocate(materialAt(mesh_NcpElems))
|
allocate(materialAt(mesh_NcpElems))
|
||||||
|
|
|
||||||
|
|
@ -41,7 +41,7 @@ module mesh_mechanical_FEM
|
||||||
|
|
||||||
type, private :: tNumerics
|
type, private :: tNumerics
|
||||||
integer :: &
|
integer :: &
|
||||||
integrationOrder, & !< order of quadrature rule required
|
p_i, & !< integration order (quadrature rule)
|
||||||
itmax
|
itmax
|
||||||
logical :: &
|
logical :: &
|
||||||
BBarStabilisation
|
BBarStabilisation
|
||||||
|
|
@ -118,7 +118,7 @@ subroutine FEM_mechanical_init(fieldBC)
|
||||||
!-----------------------------------------------------------------------------
|
!-----------------------------------------------------------------------------
|
||||||
! read numerical parametes and do sanity checks
|
! read numerical parametes and do sanity checks
|
||||||
num_mesh => config_numerics%get('mesh',defaultVal=emptyDict)
|
num_mesh => config_numerics%get('mesh',defaultVal=emptyDict)
|
||||||
num%integrationOrder = num_mesh%get_asInt('integrationorder',defaultVal = 2)
|
num%p_i = num_mesh%get_asInt('p_i',defaultVal = 2)
|
||||||
num%itmax = num_mesh%get_asInt('itmax',defaultVal=250)
|
num%itmax = num_mesh%get_asInt('itmax',defaultVal=250)
|
||||||
num%BBarStabilisation = num_mesh%get_asBool('bbarstabilisation',defaultVal = .false.)
|
num%BBarStabilisation = num_mesh%get_asBool('bbarstabilisation',defaultVal = .false.)
|
||||||
num%eps_struct_atol = num_mesh%get_asFloat('eps_struct_atol', defaultVal = 1.0e-10_pReal)
|
num%eps_struct_atol = num_mesh%get_asFloat('eps_struct_atol', defaultVal = 1.0e-10_pReal)
|
||||||
|
|
@ -135,9 +135,9 @@ subroutine FEM_mechanical_init(fieldBC)
|
||||||
|
|
||||||
!--------------------------------------------------------------------------------------------------
|
!--------------------------------------------------------------------------------------------------
|
||||||
! Setup FEM mech discretization
|
! Setup FEM mech discretization
|
||||||
qPoints = FEM_quadrature_points( dimPlex,num%integrationOrder)%p
|
qPoints = FEM_quadrature_points( dimPlex,num%p_i)%p
|
||||||
qWeights = FEM_quadrature_weights(dimPlex,num%integrationOrder)%p
|
qWeights = FEM_quadrature_weights(dimPlex,num%p_i)%p
|
||||||
nQuadrature = FEM_nQuadrature( dimPlex,num%integrationOrder)
|
nQuadrature = FEM_nQuadrature( dimPlex,num%p_i)
|
||||||
qPointsP => qPoints
|
qPointsP => qPoints
|
||||||
qWeightsP => qWeights
|
qWeightsP => qWeights
|
||||||
call PetscQuadratureCreate(PETSC_COMM_SELF,mechQuad,ierr); CHKERRQ(ierr)
|
call PetscQuadratureCreate(PETSC_COMM_SELF,mechQuad,ierr); CHKERRQ(ierr)
|
||||||
|
|
@ -146,7 +146,7 @@ subroutine FEM_mechanical_init(fieldBC)
|
||||||
call PetscQuadratureSetData(mechQuad,dimPlex,nc,nQuadrature,qPointsP,qWeightsP,ierr)
|
call PetscQuadratureSetData(mechQuad,dimPlex,nc,nQuadrature,qPointsP,qWeightsP,ierr)
|
||||||
CHKERRQ(ierr)
|
CHKERRQ(ierr)
|
||||||
call PetscFECreateDefault(PETSC_COMM_SELF,dimPlex,nc,PETSC_TRUE,prefix, &
|
call PetscFECreateDefault(PETSC_COMM_SELF,dimPlex,nc,PETSC_TRUE,prefix, &
|
||||||
num%integrationOrder,mechFE,ierr); CHKERRQ(ierr)
|
num%p_i,mechFE,ierr); CHKERRQ(ierr)
|
||||||
call PetscFESetQuadrature(mechFE,mechQuad,ierr); CHKERRQ(ierr)
|
call PetscFESetQuadrature(mechFE,mechQuad,ierr); CHKERRQ(ierr)
|
||||||
call PetscFEGetDimension(mechFE,nBasis,ierr); CHKERRQ(ierr)
|
call PetscFEGetDimension(mechFE,nBasis,ierr); CHKERRQ(ierr)
|
||||||
nBasis = nBasis/nc
|
nBasis = nBasis/nc
|
||||||
|
|
|
||||||
|
|
@ -24,7 +24,6 @@ submodule(phase:plastic) dislotungsten
|
||||||
tau_Peierls, & !< Peierls stress
|
tau_Peierls, & !< Peierls stress
|
||||||
!* mobility law parameters
|
!* mobility law parameters
|
||||||
Q_s, & !< activation energy for glide [J]
|
Q_s, & !< activation energy for glide [J]
|
||||||
v_0, & !< dislocation velocity prefactor [m/s]
|
|
||||||
p, & !< p-exponent in glide velocity
|
p, & !< p-exponent in glide velocity
|
||||||
q, & !< q-exponent in glide velocity
|
q, & !< q-exponent in glide velocity
|
||||||
B, & !< friction coefficient
|
B, & !< friction coefficient
|
||||||
|
|
@ -158,7 +157,6 @@ module function plastic_dislotungsten_init() result(myPlasticity)
|
||||||
|
|
||||||
rho_mob_0 = pl%get_as1dFloat('rho_mob_0', requiredSize=size(N_sl))
|
rho_mob_0 = pl%get_as1dFloat('rho_mob_0', requiredSize=size(N_sl))
|
||||||
rho_dip_0 = pl%get_as1dFloat('rho_dip_0', requiredSize=size(N_sl))
|
rho_dip_0 = pl%get_as1dFloat('rho_dip_0', requiredSize=size(N_sl))
|
||||||
prm%v_0 = pl%get_as1dFloat('v_0', requiredSize=size(N_sl))
|
|
||||||
prm%b_sl = pl%get_as1dFloat('b_sl', requiredSize=size(N_sl))
|
prm%b_sl = pl%get_as1dFloat('b_sl', requiredSize=size(N_sl))
|
||||||
prm%Q_s = pl%get_as1dFloat('Q_s', requiredSize=size(N_sl))
|
prm%Q_s = pl%get_as1dFloat('Q_s', requiredSize=size(N_sl))
|
||||||
|
|
||||||
|
|
@ -189,18 +187,16 @@ module function plastic_dislotungsten_init() result(myPlasticity)
|
||||||
prm%w = math_expand(prm%w, N_sl)
|
prm%w = math_expand(prm%w, N_sl)
|
||||||
prm%omega = math_expand(prm%omega, N_sl)
|
prm%omega = math_expand(prm%omega, N_sl)
|
||||||
prm%tau_Peierls = math_expand(prm%tau_Peierls, N_sl)
|
prm%tau_Peierls = math_expand(prm%tau_Peierls, N_sl)
|
||||||
prm%v_0 = math_expand(prm%v_0, N_sl)
|
|
||||||
prm%B = math_expand(prm%B, N_sl)
|
prm%B = math_expand(prm%B, N_sl)
|
||||||
prm%i_sl = math_expand(prm%i_sl, N_sl)
|
prm%i_sl = math_expand(prm%i_sl, N_sl)
|
||||||
prm%f_at = math_expand(prm%f_at, N_sl)
|
prm%f_at = math_expand(prm%f_at, N_sl)
|
||||||
prm%d_caron = pl%get_asFloat('D_a') * prm%b_sl
|
prm%d_caron = pl%get_asFloat('D_a') * prm%b_sl
|
||||||
|
|
||||||
! sanity checks
|
! sanity checks
|
||||||
if ( prm%D_0 <= 0.0_pReal) extmsg = trim(extmsg)//' D_0'
|
if ( prm%D_0 < 0.0_pReal) extmsg = trim(extmsg)//' D_0'
|
||||||
if ( prm%Q_cl <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl'
|
if ( prm%Q_cl <= 0.0_pReal) extmsg = trim(extmsg)//' Q_cl'
|
||||||
if (any(rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_mob_0'
|
if (any(rho_mob_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_mob_0'
|
||||||
if (any(rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0'
|
if (any(rho_dip_0 < 0.0_pReal)) extmsg = trim(extmsg)//' rho_dip_0'
|
||||||
if (any(prm%v_0 < 0.0_pReal)) extmsg = trim(extmsg)//' v_0'
|
|
||||||
if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl'
|
if (any(prm%b_sl <= 0.0_pReal)) extmsg = trim(extmsg)//' b_sl'
|
||||||
if (any(prm%Q_s <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_s'
|
if (any(prm%Q_s <= 0.0_pReal)) extmsg = trim(extmsg)//' Q_s'
|
||||||
if (any(prm%tau_Peierls < 0.0_pReal)) extmsg = trim(extmsg)//' tau_Peierls'
|
if (any(prm%tau_Peierls < 0.0_pReal)) extmsg = trim(extmsg)//' tau_Peierls'
|
||||||
|
|
@ -211,7 +207,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
|
||||||
else slipActive
|
else slipActive
|
||||||
rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray
|
rho_mob_0 = emptyRealArray; rho_dip_0 = emptyRealArray
|
||||||
allocate(prm%b_sl,prm%d_caron,prm%i_sl,prm%f_at,prm%tau_Peierls, &
|
allocate(prm%b_sl,prm%d_caron,prm%i_sl,prm%f_at,prm%tau_Peierls, &
|
||||||
prm%Q_s,prm%v_0,prm%p,prm%q,prm%B,prm%h,prm%w,prm%omega, &
|
prm%Q_s,prm%p,prm%q,prm%B,prm%h,prm%w,prm%omega, &
|
||||||
source = emptyRealArray)
|
source = emptyRealArray)
|
||||||
allocate(prm%forestProjection(0,0))
|
allocate(prm%forestProjection(0,0))
|
||||||
allocate(prm%h_sl_sl (0,0))
|
allocate(prm%h_sl_sl (0,0))
|
||||||
|
|
@ -287,6 +283,7 @@ pure module subroutine dislotungsten_LpAndItsTangent(Lp,dLp_dMp, &
|
||||||
dot_gamma_pos,dot_gamma_neg, &
|
dot_gamma_pos,dot_gamma_neg, &
|
||||||
ddot_gamma_dtau_pos,ddot_gamma_dtau_neg
|
ddot_gamma_dtau_pos,ddot_gamma_dtau_neg
|
||||||
|
|
||||||
|
|
||||||
Lp = 0.0_pReal
|
Lp = 0.0_pReal
|
||||||
dLp_dMp = 0.0_pReal
|
dLp_dMp = 0.0_pReal
|
||||||
|
|
||||||
|
|
@ -328,6 +325,7 @@ module subroutine dislotungsten_dotState(Mp,T,ph,en)
|
||||||
dot_rho_dip_climb, &
|
dot_rho_dip_climb, &
|
||||||
d_hat
|
d_hat
|
||||||
|
|
||||||
|
|
||||||
associate(prm => param(ph), stt => state(ph), dot => dotState(ph), dst => dependentState(ph))
|
associate(prm => param(ph), stt => state(ph), dot => dotState(ph), dst => dependentState(ph))
|
||||||
|
|
||||||
call kinetics(Mp,T,ph,en,&
|
call kinetics(Mp,T,ph,en,&
|
||||||
|
|
@ -336,11 +334,11 @@ module subroutine dislotungsten_dotState(Mp,T,ph,en)
|
||||||
|
|
||||||
dot%gamma_sl(:,en) = abs(dot_gamma_pos+dot_gamma_neg)
|
dot%gamma_sl(:,en) = abs(dot_gamma_pos+dot_gamma_neg)
|
||||||
|
|
||||||
where(dEq0(tau_pos)) ! ToDo: use avg of +/-
|
where(dEq0((tau_pos+tau_neg)*0.5_pReal))
|
||||||
dot_rho_dip_formation = 0.0_pReal
|
dot_rho_dip_formation = 0.0_pReal
|
||||||
dot_rho_dip_climb = 0.0_pReal
|
dot_rho_dip_climb = 0.0_pReal
|
||||||
else where
|
else where
|
||||||
d_hat = math_clip(3.0_pReal*prm%mu*prm%b_sl/(16.0_pReal*PI*abs(tau_pos)), & ! ToDo: use avg of +/-
|
d_hat = math_clip(3.0_pReal*prm%mu*prm%b_sl/(16.0_pReal*PI*abs(tau_pos+tau_neg)*0.5_pReal), &
|
||||||
prm%d_caron, & ! lower limit
|
prm%d_caron, & ! lower limit
|
||||||
dst%Lambda_sl(:,en)) ! upper limit
|
dst%Lambda_sl(:,en)) ! upper limit
|
||||||
dot_rho_dip_formation = merge(2.0_pReal*(d_hat-prm%d_caron)*stt%rho_mob(:,en)*dot%gamma_sl(:,en)/prm%b_sl, &
|
dot_rho_dip_formation = merge(2.0_pReal*(d_hat-prm%d_caron)*stt%rho_mob(:,en)*dot%gamma_sl(:,en)/prm%b_sl, &
|
||||||
|
|
@ -373,16 +371,17 @@ module subroutine dislotungsten_dependentState(ph,en)
|
||||||
en
|
en
|
||||||
|
|
||||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||||
dislocationSpacing
|
Lambda_sl_inv
|
||||||
|
|
||||||
|
|
||||||
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
|
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
|
||||||
|
|
||||||
dislocationSpacing = sqrt(matmul(prm%forestProjection,stt%rho_mob(:,en)+stt%rho_dip(:,en)))
|
|
||||||
dst%tau_pass(:,en) = prm%mu*prm%b_sl &
|
dst%tau_pass(:,en) = prm%mu*prm%b_sl &
|
||||||
* sqrt(matmul(prm%h_sl_sl,stt%rho_mob(:,en)+stt%rho_dip(:,en)))
|
* sqrt(matmul(prm%h_sl_sl,stt%rho_mob(:,en)+stt%rho_dip(:,en)))
|
||||||
|
|
||||||
dst%Lambda_sl(:,en) = prm%D/(1.0_pReal+prm%D*dislocationSpacing/prm%i_sl)
|
Lambda_sl_inv = 1.0_pReal/prm%D &
|
||||||
|
+ sqrt(matmul(prm%forestProjection,stt%rho_mob(:,en)+stt%rho_dip(:,en)))/prm%i_sl
|
||||||
|
dst%Lambda_sl(:,en) = Lambda_sl_inv**(-1.0_pReal)
|
||||||
|
|
||||||
end associate
|
end associate
|
||||||
|
|
||||||
|
|
@ -456,14 +455,16 @@ pure subroutine kinetics(Mp,T,ph,en, &
|
||||||
ddot_gamma_dtau_neg, &
|
ddot_gamma_dtau_neg, &
|
||||||
tau_pos_out, &
|
tau_pos_out, &
|
||||||
tau_neg_out
|
tau_neg_out
|
||||||
|
|
||||||
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
real(pReal), dimension(param(ph)%sum_N_sl) :: &
|
||||||
StressRatio, &
|
StressRatio, &
|
||||||
StressRatio_p,StressRatio_pminus1, &
|
StressRatio_p,StressRatio_pminus1, &
|
||||||
dvel, vel, &
|
dvel, &
|
||||||
tau_pos,tau_neg, &
|
tau_pos, tau_neg, tau_eff, &
|
||||||
t_n, t_k, dtk,dtn
|
t_n, t_k, dtk,dtn
|
||||||
integer :: j
|
integer :: j
|
||||||
|
|
||||||
|
|
||||||
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
|
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
|
||||||
|
|
||||||
do j = 1, prm%sum_N_sl
|
do j = 1, prm%sum_N_sl
|
||||||
|
|
@ -471,25 +472,25 @@ pure subroutine kinetics(Mp,T,ph,en, &
|
||||||
tau_neg(j) = math_tensordot(Mp,prm%P_nS_neg(1:3,1:3,j))
|
tau_neg(j) = math_tensordot(Mp,prm%P_nS_neg(1:3,1:3,j))
|
||||||
end do
|
end do
|
||||||
|
|
||||||
|
|
||||||
if (present(tau_pos_out)) tau_pos_out = tau_pos
|
if (present(tau_pos_out)) tau_pos_out = tau_pos
|
||||||
if (present(tau_neg_out)) tau_neg_out = tau_neg
|
if (present(tau_neg_out)) tau_neg_out = tau_neg
|
||||||
|
|
||||||
associate(BoltzmannRatio => prm%Q_s/(kB*T), &
|
associate(BoltzmannRatio => prm%Q_s/(kB*T), &
|
||||||
dot_gamma_0 => stt%rho_mob(:,en)*prm%b_sl*prm%v_0, &
|
b_rho_half => stt%rho_mob(:,en) * prm%b_sl * 0.5_pReal, &
|
||||||
effectiveLength => dst%Lambda_sl(:,en) - prm%w)
|
effectiveLength => dst%Lambda_sl(:,en) - prm%w)
|
||||||
|
|
||||||
significantPositiveTau: where(abs(tau_pos)-dst%tau_pass(:,en) > tol_math_check)
|
tau_eff = abs(tau_pos)-dst%tau_pass(:,en)
|
||||||
StressRatio = (abs(tau_pos)-dst%tau_pass(:,en))/prm%tau_Peierls
|
|
||||||
|
significantPositiveTau: where(tau_eff > tol_math_check)
|
||||||
|
StressRatio = tau_eff/prm%tau_Peierls
|
||||||
StressRatio_p = StressRatio** prm%p
|
StressRatio_p = StressRatio** prm%p
|
||||||
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
|
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
|
||||||
|
|
||||||
t_n = prm%b_sl/(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)*prm%omega*effectiveLength)
|
t_n = prm%b_sl*exp(BoltzmannRatio*(1.0_pReal-StressRatio_p) ** prm%q) &
|
||||||
t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_pos)
|
/ (prm%omega*effectiveLength)
|
||||||
|
t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_eff) ! corrected eq. (14)
|
||||||
|
|
||||||
vel = prm%h/(t_n + t_k)
|
dot_gamma_pos = b_rho_half * sign(prm%h/(t_n + t_k),tau_pos)
|
||||||
|
|
||||||
dot_gamma_pos = dot_gamma_0 * sign(vel,tau_pos) * 0.5_pReal
|
|
||||||
else where significantPositiveTau
|
else where significantPositiveTau
|
||||||
dot_gamma_pos = 0.0_pReal
|
dot_gamma_pos = 0.0_pReal
|
||||||
end where significantPositiveTau
|
end where significantPositiveTau
|
||||||
|
|
@ -497,28 +498,29 @@ pure subroutine kinetics(Mp,T,ph,en, &
|
||||||
if (present(ddot_gamma_dtau_pos)) then
|
if (present(ddot_gamma_dtau_pos)) then
|
||||||
significantPositiveTau2: where(abs(tau_pos)-dst%tau_pass(:,en) > tol_math_check)
|
significantPositiveTau2: where(abs(tau_pos)-dst%tau_pass(:,en) > tol_math_check)
|
||||||
dtn = -1.0_pReal * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) &
|
dtn = -1.0_pReal * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) &
|
||||||
* (StressRatio)**(prm%p - 1.0_pReal) / prm%tau_Peierls
|
* StressRatio_pminus1 / prm%tau_Peierls
|
||||||
dtk = -1.0_pReal * t_k / tau_pos
|
dtk = -1.0_pReal * t_k / tau_pos
|
||||||
|
|
||||||
dvel = -1.0_pReal * prm%h * (dtk + dtn) / (t_n + t_k)**2.0_pReal
|
dvel = -1.0_pReal * prm%h * (dtk + dtn) / (t_n + t_k)**2.0_pReal
|
||||||
|
|
||||||
ddot_gamma_dtau_pos = dot_gamma_0 * dvel* 0.5_pReal
|
ddot_gamma_dtau_pos = b_rho_half * dvel
|
||||||
else where significantPositiveTau2
|
else where significantPositiveTau2
|
||||||
ddot_gamma_dtau_pos = 0.0_pReal
|
ddot_gamma_dtau_pos = 0.0_pReal
|
||||||
end where significantPositiveTau2
|
end where significantPositiveTau2
|
||||||
end if
|
end if
|
||||||
|
|
||||||
significantNegativeTau: where(abs(tau_neg)-dst%tau_pass(:,en) > tol_math_check)
|
tau_eff = abs(tau_neg)-dst%tau_pass(:,en)
|
||||||
StressRatio = (abs(tau_neg)-dst%tau_pass(:,en))/prm%tau_Peierls
|
|
||||||
|
significantNegativeTau: where(tau_eff > tol_math_check)
|
||||||
|
StressRatio = tau_eff/prm%tau_Peierls
|
||||||
StressRatio_p = StressRatio** prm%p
|
StressRatio_p = StressRatio** prm%p
|
||||||
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
|
StressRatio_pminus1 = StressRatio**(prm%p-1.0_pReal)
|
||||||
|
|
||||||
t_n = prm%b_sl/(exp(-BoltzmannRatio*(1-StressRatio_p) ** prm%q)*prm%omega*effectiveLength)
|
t_n = prm%b_sl*exp(BoltzmannRatio*(1.0_pReal-StressRatio_p) ** prm%q) &
|
||||||
t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_pos)
|
/ (prm%omega*effectiveLength)
|
||||||
|
t_k = effectiveLength * prm%B /(2.0_pReal*prm%b_sl*tau_eff) ! corrected eq. (14)
|
||||||
|
|
||||||
vel = prm%h/(t_n + t_k)
|
dot_gamma_neg = b_rho_half * sign(prm%h/(t_n + t_k),tau_neg)
|
||||||
|
|
||||||
dot_gamma_neg = dot_gamma_0 * sign(vel,tau_neg) * 0.5_pReal
|
|
||||||
else where significantNegativeTau
|
else where significantNegativeTau
|
||||||
dot_gamma_neg = 0.0_pReal
|
dot_gamma_neg = 0.0_pReal
|
||||||
end where significantNegativeTau
|
end where significantNegativeTau
|
||||||
|
|
@ -526,12 +528,12 @@ pure subroutine kinetics(Mp,T,ph,en, &
|
||||||
if (present(ddot_gamma_dtau_neg)) then
|
if (present(ddot_gamma_dtau_neg)) then
|
||||||
significantNegativeTau2: where(abs(tau_neg)-dst%tau_pass(:,en) > tol_math_check)
|
significantNegativeTau2: where(abs(tau_neg)-dst%tau_pass(:,en) > tol_math_check)
|
||||||
dtn = -1.0_pReal * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) &
|
dtn = -1.0_pReal * t_n * BoltzmannRatio * prm%p * prm%q * (1.0_pReal-StressRatio_p)**(prm%q - 1.0_pReal) &
|
||||||
* (StressRatio)**(prm%p - 1.0_pReal) / prm%tau_Peierls
|
* StressRatio_pminus1 / prm%tau_Peierls
|
||||||
dtk = -1.0_pReal * t_k / tau_neg
|
dtk = -1.0_pReal * t_k / tau_neg
|
||||||
|
|
||||||
dvel = -1.0_pReal * prm%h * (dtk + dtn) / (t_n + t_k)**2.0_pReal
|
dvel = -1.0_pReal * prm%h * (dtk + dtn) / (t_n + t_k)**2.0_pReal
|
||||||
|
|
||||||
ddot_gamma_dtau_neg = dot_gamma_0 * dvel * 0.5_pReal
|
ddot_gamma_dtau_neg = b_rho_half * dvel
|
||||||
else where significantNegativeTau2
|
else where significantNegativeTau2
|
||||||
ddot_gamma_dtau_neg = 0.0_pReal
|
ddot_gamma_dtau_neg = 0.0_pReal
|
||||||
end where significantNegativeTau2
|
end where significantNegativeTau2
|
||||||
|
|
|
||||||
|
|
@ -890,7 +890,8 @@ pure subroutine kinetics_sl(Mp,T,ph,en, &
|
||||||
stressRatio = tau_eff/prm%tau_0
|
stressRatio = tau_eff/prm%tau_0
|
||||||
StressRatio_p = stressRatio** prm%p
|
StressRatio_p = stressRatio** prm%p
|
||||||
Q_kB_T = prm%Q_sl/(kB*T)
|
Q_kB_T = prm%Q_sl/(kB*T)
|
||||||
v_wait_inverse = prm%v_0**(-1.0_pReal) * exp(Q_kB_T*(1.0_pReal-StressRatio_p)** prm%q)
|
v_wait_inverse = exp(Q_kB_T*(1.0_pReal-StressRatio_p)** prm%q) &
|
||||||
|
/ prm%v_0
|
||||||
v_run_inverse = prm%B/(tau_eff*prm%b_sl)
|
v_run_inverse = prm%B/(tau_eff*prm%b_sl)
|
||||||
|
|
||||||
dot_gamma_sl = sign(stt%rho_mob(:,en)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau)
|
dot_gamma_sl = sign(stt%rho_mob(:,en)*prm%b_sl/(v_wait_inverse+v_run_inverse),tau)
|
||||||
|
|
|
||||||
Loading…
Reference in New Issue