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DAMASK_EICMD
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merge development into kinematic-hardening branch

This commit is contained in:
Zhuowen Zhao 2018-04-25 14:14:17 -04:00
parent 7bc736aad7 58f9fab090
commit 65f17f4166
21 changed files with 77 additions and 22 deletions
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1
DAMASK_prerequisites.sh
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@ -68,6 +68,7 @@ echo PYTHONPATH: $PYTHONPATH
echo SHELL: $SHELL
echo PETSC_ARCH: $PETSC_ARCH
echo PETSC_DIR: $PETSC_DIR
ls $PETSC_DIR/lib
echo
echo ==============================================================================================
echo Python

2
PRIVATE

@ -1 +1 @@
Subproject commit 8546f9bda04b58c3b26979048288a8a01f607876
Subproject commit af851689285b8c1a633495219abd9dbbd5a11c69

2
VERSION
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@ -1 +1 @@
v2.0.1-1107-g2c3eae6
v2.0.1-1138-gfcac08c

18
processing/pre/geom_grainGrowth.py
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@ -109,14 +109,6 @@ for name in filenames:
for smoothIter in range(options.N):
# replace immutable microstructures with closest mutable ones
index = ndimage.morphology.distance_transform_edt(np.in1d(microstructure,options.immutable).reshape(grid),
return_distances = False,
return_indices = True)
microstructure = microstructure[index[0],
index[1],
index[2]]
interfaceEnergy = np.zeros(microstructure.shape,dtype=np.float32)
for i in (-1,0,1):
for j in (-1,0,1):
@ -182,8 +174,16 @@ for name in filenames:
grid[1]/2:-grid[1]/2,
grid[2]/2:-grid[2]/2] # extent grains into interface region
# replace immutable microstructures with closest mutable ones
index = ndimage.morphology.distance_transform_edt(np.in1d(microstructure,options.immutable).reshape(grid),
return_distances = False,
return_indices = True)
microstructure = microstructure[index[0],
index[1],
index[2]]
immutable = np.zeros(microstructure.shape, dtype=np.bool)
# find locations where immutable microstructures have been (or are now)
# find locations where immutable microstructures have been in original structure
for micro in options.immutable:
immutable += microstructure_original == micro

30
processing/pre/geom_vicinityOffset.py
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@ -10,13 +10,24 @@ import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
def taintedNeighborhood(stencil,trigger=[],size=1):
me = stencil[stencil.shape[0]//2]
if len(trigger) == 0:
return np.any(stencil != me)
if me in trigger:
trigger = set(trigger)
trigger.remove(me)
trigger = list(trigger)
return np.any(np.in1d(stencil,np.array(trigger)))
#--------------------------------------------------------------------------------------------------
# MAIN
#--------------------------------------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [file[s]]', description = """
Offset microstructure index for points which see a microstructure different from themselves within a given (cubic) vicinity,
i.e. within the region close to a grain/phase boundary.
Offset microstructure index for points which see a microstructure different from themselves
(or listed as triggers) within a given (cubic) vicinity, i.e. within the region close to a grain/phase boundary.
""", version = scriptID)
@ -29,6 +40,9 @@ parser.add_option('-m', '--microstructureoffset',
type = 'int', metavar = 'int',
help = 'offset (positive or negative) for tagged microstructure indices. '+
'"0" selects maximum microstructure index [%default]')
parser.add_option('-t', '--trigger',
action = 'extend', dest = 'trigger', metavar = '<int LIST>',
help = 'list of microstructure indices triggering a change')
parser.add_option('-n', '--nonperiodic',
dest = 'mode',
action = 'store_const', const = 'nearest',
@ -36,10 +50,13 @@ parser.add_option('-n', '--nonperiodic',
parser.set_defaults(vicinity = 1,
offset = 0,
trigger = [],
mode = 'wrap',
)
(options, filenames) = parser.parse_args()
options.trigger = np.array(options.trigger, dtype=int)
# --- loop over input files -------------------------------------------------------------------------
@ -84,9 +101,12 @@ for name in filenames:
if options.offset == 0: options.offset = microstructure.max()
microstructure = np.where(ndimage.filters.maximum_filter(microstructure,size=1+2*options.vicinity,mode=options.mode) ==
ndimage.filters.minimum_filter(microstructure,size=1+2*options.vicinity,mode=options.mode),
microstructure, microstructure + options.offset)
microstructure = np.where(ndimage.filters.generic_filter(microstructure,
taintedNeighborhood,
size=1+2*options.vicinity,mode=options.mode,
extra_arguments=(),
extra_keywords={"trigger":options.trigger,"size":1+2*options.vicinity}),
microstructure + options.offset,microstructure)
newInfo['microstructures'] = microstructure.max()

1
src/DAMASK_abaqus_exp.f
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@ -37,6 +37,7 @@ subroutine DAMASK_interface_init
dateAndTime ! type default integer
call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_abaqus_exp -+>>>'
write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018'
write(6,'(/,a)') ' Version: '//DAMASKVERSION
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',&
dateAndTime(2),'/',&

1
src/DAMASK_abaqus_std.f
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@ -37,6 +37,7 @@ subroutine DAMASK_interface_init
dateAndTime ! type default integer
call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_abaqus_std -+>>>'
write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018'
write(6,'(/,a)') ' Version: '//DAMASKVERSION
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',&
dateAndTime(2),'/',&

1
src/DAMASK_marc.f90
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@ -54,6 +54,7 @@ subroutine DAMASK_interface_init
call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_Marc -+>>>'
write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018'
write(6,'(/,a)') ' Version: '//DAMASKVERSION
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',&
dateAndTime(2),'/',&

1
src/DAMASK_spectral.f90
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@ -161,6 +161,7 @@ program DAMASK_spectral
! init DAMASK (all modules)
call CPFEM_initAll(el = 1_pInt, ip = 1_pInt)
write(6,'(/,a)') ' <<<+- DAMASK_spectral init -+>>>'
write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"

3
src/IO.f90
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@ -560,6 +560,9 @@ function IO_hybridIA(Nast,ODFfileName)
IO_hybridIA = 0.0_pReal ! initialize return value for case of error
write(6,'(/,a,/)',advance='no') ' Using linear ODF file: '//trim(ODFfileName)
write(6,'(/,a)') 'Eisenlohr et al., Computational Materials Science, 42(4):670–678, 2008'
write(6,'(/,a)') 'https://doi.org/10.1016/j.commatsci.2007.09.015'
!--------------------------------------------------------------------------------------------------
! parse header of ODF file

6
src/homogenization_RGC.f90
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@ -69,7 +69,7 @@ module homogenization_RGC
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields, reads information from material configuration file
!> @brief allocates all necessary fields, reads information from material configuration file
!--------------------------------------------------------------------------------------------------
subroutine homogenization_RGC_init(fileUnit)
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
@ -116,6 +116,10 @@ subroutine homogenization_RGC_init(fileUnit)
line = ''
write(6,'(/,a)') ' <<<+- homogenization_'//HOMOGENIZATION_RGC_label//' init -+>>>'
write(6,'(/,a)') ' Tjahjanto et al., International Journal of Material Forming, 2(1):939–942, 2009'
write(6,'(/,a)') ' https://doi.org/10.1007/s12289-009-0619-1'
write(6,'(/,a)') ' Tjahjanto et al., Modelling and Simulation in Materials Science and Engineering, 18:015006, 2010'
write(6,'(/,a)') ' https://doi.org/10.1088/0965-0393/18/1/015006'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"

2
src/plastic_disloUCLA.f90
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@ -176,6 +176,8 @@ subroutine plastic_disloUCLA_init(fileUnit)
real(pReal), dimension(:), allocatable :: tempPerSlip
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOUCLA_label//' init -+>>>'
write(6,'(/,a)') ' Cereceda et al., International Journal of Plasticity 78, 2016, 242-256'
write(6,'(/,a)') ' http://dx.doi.org/10.1016/j.ijplas.2015.09.002'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"

6
src/plastic_dislotwin.f90
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@ -265,6 +265,12 @@ subroutine plastic_dislotwin_init(fileUnit)
real(pReal), dimension(:), allocatable :: tempPerSlip, tempPerTwin, tempPerTrans
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_DISLOTWIN_label//' init -+>>>'
write(6,'(/,a)') ' A. Ma and F. Roters, Acta Materialia, 52(12):3603–3612, 2004'
write(6,'(/,a)') ' https://doi.org/10.1016/j.actamat.2004.04.012'
write(6,'(/,a)') ' F.Roters et al., Computational Materials Science, 39:91–95, 2007'
write(6,'(/,a)') ' https://doi.org/10.1016/j.commatsci.2006.04.014'
write(6,'(/,a)') ' Wong et al., Acta Materialia, 118:140–151, 2016'
write(6,'(/,a)') ' https://doi.org/10.1016/j.actamat.2016.07.032'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"

2
src/plastic_isotropic.f90
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@ -150,6 +150,8 @@ subroutine plastic_isotropic_init(fileUnit)
integer(pInt) :: NipcMyPhase
write(6,'(/,a)') ' <<<+- constitutive_'//PLASTICITY_ISOTROPIC_label//' init -+>>>'
write(6,'(/,a)') ' Ma et al., Computational Materials Science, 109:323–329, 2015'
write(6,'(/,a)') ' https://doi.org/10.1016/j.commatsci.2015.07.041'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"

2
src/spectral_damage.f90
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@ -103,6 +103,8 @@ subroutine spectral_damage_init()
SNESVISetVariableBounds
write(6,'(/,a)') ' <<<+- spectral_damage init -+>>>'
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, volume in press, '
write(6,'(/,a)') ' chapter Spectral Solvers for Crystal Plasticity and Multi-Physics Simulations. Springer, 2018 '
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"

1
src/spectral_interface.f90
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@ -115,6 +115,7 @@ subroutine DAMASK_interface_init()
call date_and_time(values = dateAndTime)
write(6,'(/,a)') ' <<<+- DAMASK_spectral -+>>>'
write(6,'(/,a)') ' Roters et al., Computational Materials Science, 2018'
write(6,'(/,a)') ' Version: '//DAMASKVERSION
write(6,'(a,2(i2.2,a),i4.4)') ' Date: ',dateAndTime(3),'/',&
dateAndTime(2),'/',&

4
src/spectral_mech_AL.f90
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@ -147,7 +147,9 @@ subroutine AL_init
SNESSetFromOptions
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverAL init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity, 66:31–45, 2015'
write(6,'(/,a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
!--------------------------------------------------------------------------------------------------

4
src/spectral_mech_Basic.f90
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@ -135,7 +135,9 @@ subroutine basicPETSc_init
SNESSetFromOptions
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverBasicPETSc init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity, 66:31–45, 2015'
write(6,'(/,a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
!--------------------------------------------------------------------------------------------------

4
src/spectral_mech_Polarisation.f90
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@ -145,7 +145,9 @@ subroutine Polarisation_init
SNESSetFromOptions
write(6,'(/,a)') ' <<<+- DAMASK_spectral_solverPolarisation init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity, 66:31–45, 2015'
write(6,'(/,a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
!--------------------------------------------------------------------------------------------------

4
src/spectral_thermal.f90
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@ -103,7 +103,9 @@ subroutine spectral_thermal_init
mainProcess: if (worldrank == 0_pInt) then
write(6,'(/,a)') ' <<<+- spectral_thermal init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, volume in press,'
write(6,'(/,a)') ' chapter Spectral Solvers for Crystal Plasticity and Multi-Physics Simulations. Springer, 2018'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
endif mainProcess

4
src/spectral_utilities.f90
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@ -215,7 +215,9 @@ subroutine utilities_init()
vecSize = 3_C_INTPTR_T, &
tensorSize = 9_C_INTPTR_T
write(6,'(/,a)') ' <<<+- spectral_utilities init -+>>>'
write(6,'(/,a)') ' <<<+- spectral_utilities init -+>>>'
write(6,'(/,a)') ' Eisenlohr et al., International Journal of Plasticity, 46:37–53, 2013'
write(6,'(/,a)') ' https://doi.org/10.1016/j.ijplas.2012.09.012'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"