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DAMASK_EICMD
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Merge branch 'development' into even-more-HDF5-postprocessing

This commit is contained in:
Martin Diehl 2019-07-06 20:35:09 -07:00
parent b6830b3ac1 4340c558d7
commit 18f00cb8df
104 changed files with 4221 additions and 4186 deletions
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2
DAMASK_prerequisites.sh
View File

@ -110,7 +110,7 @@ for executable in icc icpc ifort ;do
done
firstLevel "MPI Wrappers"
for executable in mpicc mpiCC mpic++ mpicpc mpicxx mpifort mpif90 mpif77; do
for executable in mpicc mpiCC mpiicc mpic++ mpicpc mpicxx mpifort mpif90 mpif77; do
getDetails $executable '-show'
done

2
PRIVATE

@ -1 +1 @@
Subproject commit 1d3cf8180a20bcba6958ce82eb97befec077d7d2
Subproject commit 18a976753be06aca6e15f580998e713daa08bb41

2
VERSION
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@ -1 +1 @@
v2.0.3-559-g589f5343
v2.0.3-614-g4d6a047b

9
processing/post/addAPS34IDEstrainCoords.py
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@ -1,11 +1,14 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])

15
processing/post/addCalculation.py
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@ -1,12 +1,19 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,re,sys,collections
import math,scipy,scipy.linalg # noqa
import numpy as np
import os
import sys
from optparse import OptionParser
import re
import collections
import math # noqa
import scipy # noqa
import scipy.linalg # noqa
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])

10
processing/post/addCauchy.py
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@ -1,14 +1,18 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

6
processing/post/addCompatibilityMismatch.py
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@ -1,13 +1,15 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os
import math
from optparse import OptionParser
import numpy as np
import scipy.ndimage
from optparse import OptionParser
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])

10
processing/post/addCumulative.py
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@ -1,14 +1,18 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

11
processing/post/addCurl.py
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@ -1,11 +1,14 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys,math
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
@ -27,7 +30,7 @@ def curlFFT(geomdim,field):
curl_fourier = np.empty(field_fourier.shape,'c16')
# differentiation in Fourier space
TWOPIIMG = 2.0j*math.pi
TWOPIIMG = 2.0j*np.pi
einsums = {
3:'slm,ijkl,ijkm->ijks', # vector, 3 -> 3
9:'slm,ijkl,ijknm->ijksn', # tensor, 3x3 -> 3x3

10
processing/post/addDerivative.py
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@ -1,11 +1,14 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
@ -30,6 +33,7 @@ def derivative(coordinates,what):
return result
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

7
processing/post/addDeterminant.py
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@ -1,10 +1,12 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import os
import sys
from optparse import OptionParser
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
@ -16,6 +18,7 @@ def determinant(m):
-m[1]*m[3]*m[8] \
-m[0]*m[5]*m[7]
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

6
processing/post/addDeviator.py
View File

@ -1,8 +1,9 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import os
import sys
from optparse import OptionParser
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
@ -19,6 +20,7 @@ def deviator(m,spherical = False):
]
return dev,sph if spherical else dev
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

11
processing/post/addDisplacement.py
View File

@ -1,12 +1,15 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys,math
import os
import sys
from optparse import OptionParser
import numpy as np
import scipy.ndimage
from optparse import OptionParser
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
@ -57,7 +60,7 @@ def displacementAvgFFT(F,grid,size,nodal=False,transformed=False):
#--------------------------------------------------------------------------------------------------
def displacementFluctFFT(F,grid,size,nodal=False,transformed=False):
"""Calculate cell center (or nodal) displacement for deformation gradient field specified in each grid cell"""
integrator = 0.5j * size / math.pi
integrator = 0.5j * size / np.pi
kk, kj, ki = np.meshgrid(np.where(np.arange(grid[2])>grid[2]//2,np.arange(grid[2])-grid[2],np.arange(grid[2])),
np.where(np.arange(grid[1])>grid[1]//2,np.arange(grid[1])-grid[1],np.arange(grid[1])),

11
processing/post/addDivergence.py
View File

@ -1,11 +1,14 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys,math
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
@ -27,7 +30,7 @@ def divFFT(geomdim,field):
div_fourier = np.empty(field_fourier.shape[0:len(np.shape(field))-1],'c16')
# differentiation in Fourier space
TWOPIIMG = 2.0j*math.pi
TWOPIIMG = 2.0j*np.pi
einsums = {
3:'ijkl,ijkl->ijk', # vector, 3 -> 1
9:'ijkm,ijklm->ijkl', # tensor, 3x3 -> 3

10
processing/post/addEhkl.py
View File

@ -1,11 +1,14 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
@ -26,6 +29,7 @@ def E_hkl(stiffness,vec): # stiffness = (c11,c12,c44)
return 1.0/invE
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

11
processing/post/addEuclideanDistance.py
View File

@ -1,12 +1,16 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys,itertools
import os
import sys
from optparse import OptionParser
import itertools
import numpy as np
from scipy import ndimage
from optparse import OptionParser
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
@ -31,6 +35,7 @@ def periodic_3Dpad(array, rimdim=(1,1,1)):
padded[p[0],p[1],p[2]] = array[spot[0],spot[1],spot[2]]
return padded
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

9
processing/post/addGaussian.py
View File

@ -1,12 +1,15 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
from scipy import ndimage
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])

11
processing/post/addGradient.py
View File

@ -1,11 +1,14 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys,math
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
@ -27,7 +30,7 @@ def gradFFT(geomdim,field):
grad_fourier = np.empty(field_fourier.shape+(3,),'c16')
# differentiation in Fourier space
TWOPIIMG = 2.0j*math.pi
TWOPIIMG = 2.0j*np.pi
einsums = {
1:'ijkl,ijkm->ijkm', # scalar, 1 -> 3
3:'ijkl,ijkm->ijklm', # vector, 3 -> 3x3

9
processing/post/addIPFcolor.py
View File

@ -1,11 +1,14 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])

9
processing/post/addIndexed.py
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@ -1,11 +1,14 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])

3
processing/post/addInfo.py
View File

@ -1,10 +1,11 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os
from optparse import OptionParser
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])

9
processing/post/addLinked.py
View File

@ -1,11 +1,14 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])

11
processing/post/addMises.py
View File

@ -1,12 +1,15 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys,math
import numpy as np
import os
import sys
from optparse import OptionParser
from collections import OrderedDict
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
@ -14,7 +17,7 @@ def Mises(what,tensor):
dev = tensor - np.trace(tensor)/3.0*np.eye(3)
symdev = 0.5*(dev+dev.T)
return math.sqrt(np.sum(symdev*symdev.T)*
return np.sqrt(np.sum(symdev*symdev.T)*
{
'stress': 3.0/2.0,
'strain': 2.0/3.0,

11
processing/post/addNorm.py
View File

@ -1,10 +1,14 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys,math
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
@ -16,12 +20,13 @@ def norm(which,object):
if which == 'Abs': # p = 1
return sum(map(abs, object))
elif which == 'Frobenius': # p = 2
return math.sqrt(sum([x*x for x in object]))
return np.sqrt(sum([x*x for x in object]))
elif which == 'Max': # p = inf
return max(map(abs, object))
else:
return -1
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

9
processing/post/addOrientations.py
View File

@ -1,11 +1,14 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])

9
processing/post/addPK2.py
View File

@ -1,11 +1,14 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])

10
processing/post/addPole.py
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@ -1,14 +1,18 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

11
processing/post/addSchmidfactors.py
View File

@ -1,11 +1,14 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys,math
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
@ -136,7 +139,7 @@ parser.set_defaults(force = (0.0,0.0,1.0),
quaternion='orientation',
normal = None,
lattice = latticeChoices[0],
CoverA = math.sqrt(8./3.),
CoverA = np.sqrt(8./3.),
)
(options, filenames) = parser.parse_args()

10
processing/post/addSpectralDecomposition.py
View File

@ -1,14 +1,18 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

9
processing/post/addStrainTensors.py
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@ -1,11 +1,14 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])

8
processing/post/addTable.py
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@ -1,19 +1,21 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import os
import sys
from optparse import OptionParser
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """
Append data of ASCIItable(s).
Append data of ASCIItable(s) column-wise.
""", version = scriptID)

10
processing/post/averageDown.py
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@ -1,15 +1,19 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import os
import sys
from optparse import OptionParser
import numpy as np
import scipy.ndimage
from optparse import OptionParser
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

10
processing/post/binXY.py
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@ -1,14 +1,18 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

10
processing/post/blowUp.py
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@ -1,14 +1,18 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

13
processing/post/filterTable.py
View File

@ -1,12 +1,17 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,re,sys,fnmatch
import math # noqa
import numpy as np
import os
import sys
from optparse import OptionParser
import re
import fnmatch
import math # noqa
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])

11
processing/post/groupTable.py
View File

@ -1,12 +1,15 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import math # noqa
import numpy as np
import os
import sys
from optparse import OptionParser, OptionGroup
import math # noqa
import numpy as np
import damask
def periodicAverage(coords, limits):
"""Centroid in periodic domain, see https://en.wikipedia.org/wiki/Center_of_mass#Systems_with_periodic_boundary_conditions"""
theta = 2.0*np.pi * (coords - limits[0])/(limits[1] - limits[0])

79
processing/post/growTable.py Executable file
View File

@ -0,0 +1,79 @@
#!/usr/bin/env python3
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------
parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [ASCIItable(s)]', description = """
Append data of ASCIItable(s) row-wise.
""", version = scriptID)
parser.add_option('-a', '--add','--table',
dest = 'table',
action = 'extend', metavar = '<string LIST>',
help = 'tables to add')
(options,filenames) = parser.parse_args()
if options.table is None:
parser.error('no table specified.')
# --- loop over input files -------------------------------------------------------------------------
if filenames == []: filenames = [None]
for name in filenames:
try: table = damask.ASCIItable(name = name,
buffered = False)
except: continue
damask.util.report(scriptName,name)
tables = []
for addTable in options.table:
try: tables.append(damask.ASCIItable(name = addTable,
buffered = False,
readonly = True)
)
except: continue
# ------------------------------------------ read headers ------------------------------------------
table.head_read()
for addTable in tables: addTable.head_read()
# ------------------------------------------ assemble header --------------------------------------
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
table.head_write()
# ------------------------------------------ process data ------------------------------------------
table.data_readArray()
data = table.data
for addTable in tables:
addTable.data_readArray(table.labels(raw = True))
data = np.vstack((data,addTable.data))
table.data = data
table.data_writeArray()
# ------------------------------------------ output finalization -----------------------------------
table.close() # close ASCII tables
for addTable in tables:
addTable.close()

10
processing/post/histogram.py
View File

@ -1,14 +1,18 @@
#!/usr/bin/env python2.7
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

10
processing/post/imageData.py
View File

@ -1,15 +1,19 @@
#!/usr/bin/env python2.7
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
from PIL import Image
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

10
processing/post/imageDataDeformed.py
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@ -1,15 +1,19 @@
#!/usr/bin/env python2.7
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
from PIL import Image, ImageDraw
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

10
processing/post/imageDataRGB.py
View File

@ -1,15 +1,19 @@
#!/usr/bin/env python2.7
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
from PIL import Image
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

7
processing/post/mentat_colorMap.py
View File

@ -1,10 +1,13 @@
#!/usr/bin/env python2.7
# -*- coding: UTF-8 no BOM -*-
import os,sys
import damask
import os
import sys
from optparse import OptionParser
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])

9
processing/post/perceptualUniformColorMap.py
View File

@ -1,13 +1,16 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import sys,os
import damask
import os
import sys
from optparse import OptionParser
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

10
processing/post/permuteData.py
View File

@ -1,14 +1,18 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

12
processing/post/postResults.py
View File

@ -1,9 +1,15 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys,math,re,time,struct
import damask
import os
import sys
from optparse import OptionParser, OptionGroup
import math
import re
import time
import struct
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])

10
processing/post/reLabel.py
View File

@ -1,13 +1,17 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys,re
import damask
import os
import sys
from optparse import OptionParser
import re
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

10
processing/post/rotateData.py
View File

@ -1,14 +1,18 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

10
processing/post/scaleData.py
View File

@ -1,14 +1,18 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

10
processing/post/shiftData.py
View File

@ -1,14 +1,18 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

10
processing/post/sortTable.py
View File

@ -1,14 +1,18 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

4
processing/post/viewTable.py
View File

@ -1,13 +1,15 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os
from optparse import OptionParser
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

11
processing/post/vtk2ang.py
View File

@ -1,12 +1,17 @@
#!/usr/bin/env python2.7
# -*- coding: UTF-8 no BOM -*-
import os,string,math,sys
import numpy as np
import os
import sys
from optparse import OptionParser
import string
import math
import numpy as np
import vtk
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])

14
processing/post/vtk_addGridData.py
View File

@ -1,15 +1,19 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,vtk
import damask
from vtk.util import numpy_support
from collections import defaultdict
import os
from optparse import OptionParser
from collections import defaultdict
import vtk
from vtk.util import numpy_support
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

12
processing/post/vtk_addPointCloudData.py
View File

@ -1,15 +1,19 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,vtk
import damask
from collections import defaultdict
import os
from optparse import OptionParser
from collections import defaultdict
import vtk
from vtk.util import numpy_support
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

15
processing/post/vtk_addRectilinearGridData.py
View File

@ -1,15 +1,20 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,vtk
import damask
from vtk.util import numpy_support
from collections import defaultdict
import os
from optparse import OptionParser
from collections import defaultdict
import vtk
from vtk.util import numpy_support
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

13
processing/post/vtk_pointCloud.py
View File

@ -1,14 +1,19 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys,vtk
import numpy as np
import damask
import os
import sys
from optparse import OptionParser
import vtk
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

13
processing/post/vtk_rectilinearGrid.py
View File

@ -1,14 +1,19 @@
#!/usr/bin/env python3
# -*- coding: UTF-8 no BOM -*-
import os,sys,vtk
import numpy as np
import damask
import os
import sys
from optparse import OptionParser
import vtk
import numpy as np
import damask
scriptName = os.path.splitext(os.path.basename(__file__))[0]
scriptID = ' '.join([scriptName,damask.version])
# --------------------------------------------------------------------
# MAIN
# --------------------------------------------------------------------

11
src/CPFEM.f90
View File

@ -125,11 +125,6 @@ subroutine CPFEM_init
! flush(6)
! endif
! call IO_read_intFile(777,'recordedPhase'//trim(rankStr),modelName,size(material_phase))
! read (777,rec=1) material_phase
! close (777)
! call IO_read_realFile(777,'convergedF'//trim(rankStr),modelName,size(crystallite_F0))
! read (777,rec=1) crystallite_F0
! close (777)
@ -262,7 +257,7 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
if (debug_e <= discretization_nElem .and. debug_i <=discretization_nIP) then
write(6,'(a,1x,i8,1x,i2,1x,i4,/,(12x,6(e20.8,1x)),/)') &
'<< CPFEM >> aged state of elFE ip grain',debug_e, debug_i, 1, &
plasticState(phaseAt(1,debug_i,debug_e))%state(:,phasememberAt(1,debug_i,debug_e))
plasticState(material_phaseAt(1,debug_e))%state(:,material_phasememberAt(1,debug_i,debug_e))
endif
endif
@ -280,10 +275,6 @@ subroutine CPFEM_general(mode, parallelExecution, ffn, ffn1, temperature_inp, dt
! write(6,'(a)') '<< CPFEM >> writing state variables of last converged step to binary files'
!
! call IO_write_jobRealFile(777,'recordedPhase'//trim(rankStr),size(material_phase))
! write (777,rec=1) material_phase
! close (777)
! call IO_write_jobRealFile(777,'convergedF'//trim(rankStr),size(crystallite_F0))
! write (777,rec=1) crystallite_F0
! close (777)

9
src/CPFEM2.f90
View File

@ -52,7 +52,6 @@ subroutine CPFEM_initAll
call debug_init
call config_init
call math_init
call FE_init
call mesh_init
call lattice_init
call HDF5_utilities_init
@ -78,8 +77,8 @@ subroutine CPFEM_init
write(6,'(/,a)') ' <<<+- CPFEM init -+>>>'
flush(6)
! *** restore the last converged values of each essential variable from the binary file
if (restartRead) then
! *** restore the last converged values of each essential variable
if (interface_restartInc > 0) then
if (iand(debug_level(debug_CPFEM), debug_levelExtensive) /= 0) then
write(6,'(a)') '<< CPFEM >> restored state variables of last converged step from hdf5 file'
flush(6)
@ -89,7 +88,6 @@ subroutine CPFEM_init
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5')
call HDF5_read(fileHandle,material_phase, 'recordedPhase')
call HDF5_read(fileHandle,crystallite_F0, 'convergedF')
call HDF5_read(fileHandle,crystallite_Fp0,'convergedFp')
call HDF5_read(fileHandle,crystallite_Fi0,'convergedFi')
@ -112,8 +110,6 @@ subroutine CPFEM_init
call HDF5_closeGroup(groupHomogID)
call HDF5_closeFile(fileHandle)
restartRead = .false.
endif
end subroutine CPFEM_init
@ -158,7 +154,6 @@ subroutine CPFEM_age
write(rankStr,'(a1,i0)')'_',worldrank
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5','a')
call HDF5_write(fileHandle,material_phase, 'recordedPhase')
call HDF5_write(fileHandle,crystallite_F0, 'convergedF')
call HDF5_write(fileHandle,crystallite_Fp0, 'convergedFp')
call HDF5_write(fileHandle,crystallite_Fi0, 'convergedFi')

3
src/DAMASK_marc.f90
View File

@ -353,8 +353,7 @@ subroutine flux(f,ts,n,time)
!--------------------------------------------------------------------------------------------------
!> @brief sets user defined output variables for Marc
!> @details select a variable contour plotting (user subroutine).
!> @brief trigger writing of results
!--------------------------------------------------------------------------------------------------
subroutine uedinc(inc,incsub)
use prec

31
src/FEsolving.f90
View File

@ -1,8 +1,7 @@
!--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief triggering reading in of restart information when doing a restart
!> @todo Descriptions for public variables needed
!> @brief holds some global variables and gets extra information for commercial FEM
!--------------------------------------------------------------------------------------------------
module FEsolving
use prec
@ -12,32 +11,34 @@ module FEsolving
implicit none
private
integer, public :: &
restartInc = 1 !< needs description
logical, public :: &
symmetricSolver = .false., & !< use a symmetric FEM solver
restartWrite = .false., & !< write current state to enable restart
#if defined(Marc4DAMASK) || defined(Abaqus)
restartRead = .false., & !< restart information to continue calculation from saved state
#endif
restartWrite = .false., & !< write current state to enable restart
terminallyIll = .false. !< at least one material point is terminally ill
integer, dimension(:,:), allocatable, public :: &
FEsolving_execIP !< for ping-pong scheme always range to max IP, otherwise one specific IP
integer, dimension(2), public :: &
FEsolving_execElem !< for ping-pong scheme always whole range, otherwise one specific element
#if defined(Marc4DAMASK) || defined(Abaqus)
logical, public, protected :: &
symmetricSolver = .false. !< use a symmetric FEM solver (only Abaqus)
character(len=1024), public :: &
modelName !< needs description
logical, dimension(:,:), allocatable, public :: &
calcMode !< do calculation or simply collect when using ping pong scheme
public :: FE_init
#endif
contains
#if defined(Marc4DAMASK) || defined(Abaqus)
!--------------------------------------------------------------------------------------------------
!> @brief determine whether a symmetric solver is used and whether restart is requested
!> @details restart information is found in input file in case of FEM solvers, in case of spectal
@ -45,27 +46,15 @@ contains
!--------------------------------------------------------------------------------------------------
subroutine FE_init
#if defined(Marc4DAMASK) || defined(Abaqus)
integer, parameter :: &
FILEUNIT = 222
integer :: j
character(len=65536) :: tag, line
integer, allocatable, dimension(:) :: chunkPos
#endif
write(6,'(/,a)') ' <<<+- FEsolving init -+>>>'
modelName = getSolverJobName()
#if defined(Grid) || defined(FEM)
restartInc = interface_RestartInc
if(restartInc < 0) then
call IO_warning(warning_ID=34)
restartInc = 0
endif
restartRead = restartInc > 0 ! only read in if "true" restart requested
#else
call IO_open_inputFile(FILEUNIT,modelName)
rewind(FILEUNIT)
do
@ -125,7 +114,6 @@ subroutine FE_init
200 close(FILEUNIT)
endif
#endif
if (iand(debug_level(debug_FEsolving),debug_levelBasic) /= 0) then
write(6,'(a21,l1)') ' restart writing: ', restartWrite
write(6,'(a21,l1)') ' restart reading: ', restartRead
@ -133,5 +121,6 @@ subroutine FE_init
endif
end subroutine FE_init
#endif
end module FEsolving

2
src/HDF5_utilities.f90
View File

@ -1928,6 +1928,6 @@ subroutine finalize_write(plist_id, dset_id, filespace_id, memspace_id)
if (hdferr < 0) call IO_error(1,ext_msg='finalize_write: h5sclose_f/memspace_id')
end subroutine finalize_write
#endif
end module HDF5_Utilities

17
src/IO.f90
View File

@ -50,6 +50,7 @@ module IO
IO_countNumericalDataLines
#endif
#endif
private :: &
IO_verifyFloatValue, &
IO_verifyIntValue
@ -769,23 +770,25 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
case (810)
msg = 'FFTW plan creation'
case (831)
msg = 'mask consistency violated in spectral loadcase'
msg = 'mask consistency violated in grid load case'
case (832)
msg = 'ill-defined L (line partly defined) in spectral loadcase'
msg = 'ill-defined L (line partly defined) in grid load case'
case (834)
msg = 'negative time increment in spectral loadcase'
msg = 'negative time increment in grid load case'
case (835)
msg = 'non-positive increments in spectral loadcase'
msg = 'non-positive increments in grid load case'
case (836)
msg = 'non-positive result frequency in spectral loadcase'
msg = 'non-positive result frequency in grid load case'
case (837)
msg = 'incomplete loadcase'
case (838)
msg = 'mixed boundary conditions allow rotation'
case (839)
msg = 'non-positive restart frequency in grid load case'
case (841)
msg = 'missing header length info in spectral mesh'
msg = 'missing header length info in grid mesh'
case (842)
msg = 'incomplete information in spectral mesh header'
msg = 'incomplete information in grid mesh header'
case (843)
msg = 'microstructure count mismatch'
case (846)

34
src/config.f90
View File

@ -26,19 +26,12 @@ module config
config_numerics, &
config_debug
!ToDo: bad names (how should one know that those variables are defined in config?)
character(len=64), dimension(:), allocatable, public, protected :: &
phase_name, & !< name of each phase
homogenization_name, & !< name of each homogenization
crystallite_name, & !< name of each crystallite setting
microstructure_name, & !< name of each microstructure
texture_name !< name of each texture
! ToDo: Remove, use size(config_phase) etc
integer, public, protected :: &
material_Nphase, & !< number of phases
material_Nhomogenization !< number of homogenizations
config_name_phase, & !< name of each phase
config_name_homogenization, & !< name of each homogenization
config_name_crystallite, & !< name of each crystallite setting
config_name_microstructure, & !< name of each microstructure
config_name_texture !< name of each texture
public :: &
config_init, &
@ -81,36 +74,33 @@ subroutine config_init
select case (trim(part))
case (trim('phase'))
call parse_materialConfig(phase_name,config_phase,line,fileContent(i+1:))
call parse_materialConfig(config_name_phase,config_phase,line,fileContent(i+1:))
if (verbose) write(6,'(a)') ' Phase parsed'; flush(6)
case (trim('microstructure'))
call parse_materialConfig(microstructure_name,config_microstructure,line,fileContent(i+1:))
call parse_materialConfig(config_name_microstructure,config_microstructure,line,fileContent(i+1:))
if (verbose) write(6,'(a)') ' Microstructure parsed'; flush(6)
case (trim('crystallite'))
call parse_materialConfig(crystallite_name,config_crystallite,line,fileContent(i+1:))
call parse_materialConfig(config_name_crystallite,config_crystallite,line,fileContent(i+1:))
if (verbose) write(6,'(a)') ' Crystallite parsed'; flush(6)
case (trim('homogenization'))
call parse_materialConfig(homogenization_name,config_homogenization,line,fileContent(i+1:))
call parse_materialConfig(config_name_homogenization,config_homogenization,line,fileContent(i+1:))
if (verbose) write(6,'(a)') ' Homogenization parsed'; flush(6)
case (trim('texture'))
call parse_materialConfig(texture_name,config_texture,line,fileContent(i+1:))
call parse_materialConfig(config_name_texture,config_texture,line,fileContent(i+1:))
if (verbose) write(6,'(a)') ' Texture parsed'; flush(6)
end select
enddo
material_Nhomogenization = size(config_homogenization)
material_Nphase = size(config_phase)
if (material_Nhomogenization < 1) call IO_error(160,ext_msg='<homogenization>')
if (size(config_homogenization) < 1) call IO_error(160,ext_msg='<homogenization>')
if (size(config_microstructure) < 1) call IO_error(160,ext_msg='<microstructure>')
if (size(config_crystallite) < 1) call IO_error(160,ext_msg='<crystallite>')
if (material_Nphase < 1) call IO_error(160,ext_msg='<phase>')
if (size(config_phase) < 1) call IO_error(160,ext_msg='<phase>')
if (size(config_texture) < 1) call IO_error(160,ext_msg='<texture>')

145
src/constitutive.f90
View File

@ -55,9 +55,6 @@ module constitutive
constitutive_postResults, &
constitutive_results
private :: &
constitutive_hooke_SandItsTangents
contains
@ -114,7 +111,7 @@ subroutine constitutive_init
! write description file for constitutive output
call IO_write_jobFile(FILEUNIT,'outputConstitutive')
PhaseLoop: do ph = 1,material_Nphase
activePhase: if (any(material_phase == ph)) then
activePhase: if (any(material_phaseAt == ph)) then
ins = phase_plasticityInstance(ph)
knownPlasticity = .true. ! assume valid
plasticityType: select case(phase_plasticity(ph))
@ -149,7 +146,7 @@ subroutine constitutive_init
case default plasticityType
knownPlasticity = .false.
end select plasticityType
write(FILEUNIT,'(/,a,/)') '['//trim(phase_name(ph))//']'
write(FILEUNIT,'(/,a,/)') '['//trim(config_name_phase(ph))//']'
if (knownPlasticity) then
write(FILEUNIT,'(a)') '(plasticity)'//char(9)//trim(outputName)
if (phase_plasticity(ph) /= PLASTICITY_NONE_ID) then
@ -251,15 +248,16 @@ function constitutive_homogenizedC(ipc,ip,el)
ip, & !< integration point
el !< element
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_DISLOTWIN_ID) plasticityType
constitutive_homogenizedC = plastic_dislotwin_homogenizedC(ipc,ip,el)
case default plasticityType
constitutive_homogenizedC = lattice_C66(1:6,1:6,material_phase (ipc,ip,el))
constitutive_homogenizedC = lattice_C66(1:6,1:6,material_phaseAt(ipc,el))
end select plasticityType
end function constitutive_homogenizedC
!--------------------------------------------------------------------------------------------------
!> @brief calls microstructure function of the different constitutive models
!--------------------------------------------------------------------------------------------------
@ -280,14 +278,14 @@ subroutine constitutive_microstructure(Fe, Fp, ipc, ip, el)
ho = material_homogenizationAt(el)
tme = thermalMapping(ho)%p(ip,el)
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_DISLOTWIN_ID) plasticityType
of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_dislotwin_dependentState(temperature(ho)%p(tme),instance,of)
case (PLASTICITY_DISLOUCLA_ID) plasticityType
of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_disloUCLA_dependentState(instance,of)
case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_dependentState (Fe,Fp,ip,el)
@ -331,25 +329,25 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
Mp = matmul(matmul(transpose(Fi),Fi),S)
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_NONE_ID) plasticityType
Lp = 0.0_pReal
dLp_dMp = 0.0_pReal
case (PLASTICITY_ISOTROPIC_ID) plasticityType
of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_isotropic_LpAndItsTangent (Lp,dLp_dMp,Mp,instance,of)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_phenopowerlaw_LpAndItsTangent (Lp,dLp_dMp,Mp,instance,of)
case (PLASTICITY_KINEHARDENING_ID) plasticityType
of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_kinehardening_LpAndItsTangent (Lp,dLp_dMp, Mp,instance,of)
case (PLASTICITY_NONLOCAL_ID) plasticityType
@ -357,13 +355,13 @@ subroutine constitutive_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
temperature(ho)%p(tme),geometry_plastic_nonlocal_IPvolume0(ip,el),ip,el)
case (PLASTICITY_DISLOTWIN_ID) plasticityType
of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_dislotwin_LpAndItsTangent (Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of)
case (PLASTICITY_DISLOUCLA_ID) plasticityType
of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_disloucla_LpAndItsTangent (Lp,dLp_dMp,Mp,temperature(ho)%p(tme),instance,of)
end select plasticityType
@ -414,10 +412,10 @@ subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
dLi_dS = 0.0_pReal
dLi_dFi = 0.0_pReal
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_isotropic_ID) plasticityType
of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_isotropic_LiAndItsTangent(my_Li, my_dLi_dS, S ,instance,of)
case default plasticityType
my_Li = 0.0_pReal
@ -427,8 +425,8 @@ subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
KinematicsLoop: do k = 1, phase_Nkinematics(material_phase(ipc,ip,el))
kinematicsType: select case (phase_kinematics(k,material_phase(ipc,ip,el)))
KinematicsLoop: do k = 1, phase_Nkinematics(material_phaseAt(ipc,el))
kinematicsType: select case (phase_kinematics(k,material_phaseAt(ipc,el)))
case (KINEMATICS_cleavage_opening_ID) kinematicsType
call kinematics_cleavage_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, ipc, ip, el)
case (KINEMATICS_slipplane_opening_ID) kinematicsType
@ -475,7 +473,7 @@ pure function constitutive_initialFi(ipc, ip, el)
homog, offset
constitutive_initialFi = math_I3
phase = material_phase(ipc,ip,el)
phase = material_phaseAt(ipc,el)
KinematicsLoop: do k = 1, phase_Nkinematics(phase) !< Warning: small initial strain assumption
kinematicsType: select case (phase_kinematics(k,phase))
@ -546,8 +544,8 @@ subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
ho = material_homogenizationAt(el)
C = math_66toSym3333(constitutive_homogenizedC(ipc,ip,el))
DegradationLoop: do d = 1, phase_NstiffnessDegradations(material_phase(ipc,ip,el))
degradationType: select case(phase_stiffnessDegradation(d,material_phase(ipc,ip,el)))
DegradationLoop: do d = 1, phase_NstiffnessDegradations(material_phaseAt(ipc,el))
degradationType: select case(phase_stiffnessDegradation(d,material_phaseAt(ipc,el)))
case (STIFFNESS_DEGRADATION_damage_ID) degradationType
C = C * damage(ho)%p(damageMapping(ho)%p(ip,el))**2
end select degradationType
@ -556,10 +554,8 @@ subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
E = 0.5_pReal*(matmul(transpose(Fe),Fe)-math_I3) !< Green-Lagrange strain in unloaded configuration
S = math_mul3333xx33(C,matmul(matmul(transpose(Fi),E),Fi)) !< 2PK stress in lattice configuration in work conjugate with GL strain pulled back to lattice configuration
dS_dFe = 0.0_pReal
forall (i=1:3, j=1:3)
dS_dFe(i,j,1:3,1:3) = &
matmul(Fe,matmul(matmul(Fi,C(i,j,1:3,1:3)),transpose(Fi))) !< dS_ij/dFe_kl = C_ijmn * Fi_lm * Fi_on * Fe_ko
dS_dFe(i,j,1:3,1:3) = matmul(Fe,matmul(matmul(Fi,C(i,j,1:3,1:3)),transpose(Fi))) !< dS_ij/dFe_kl = C_ijmn * Fi_lm * Fi_on * Fe_ko
dS_dFi(i,j,1:3,1:3) = 2.0_pReal*matmul(matmul(E,Fi),C(i,j,1:3,1:3)) !< dS_ij/dFi_kl = C_ijln * E_km * Fe_mn
end forall
@ -597,31 +593,31 @@ subroutine constitutive_collectDotState(S, FeArray, Fi, FpArray, subdt, ipc, ip,
Mp = matmul(matmul(transpose(Fi),Fi),S)
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_ISOTROPIC_ID) plasticityType
of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_isotropic_dotState (Mp,instance,of)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_phenopowerlaw_dotState(Mp,instance,of)
case (PLASTICITY_KINEHARDENING_ID) plasticityType
of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_kinehardening_dotState(Mp,instance,of)
case (PLASTICITY_DISLOTWIN_ID) plasticityType
of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_dislotwin_dotState (Mp,temperature(ho)%p(tme),instance,of)
case (PLASTICITY_DISLOUCLA_ID) plasticityType
of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_disloucla_dotState (Mp,temperature(ho)%p(tme),instance,of)
case (PLASTICITY_NONLOCAL_ID) plasticityType
@ -629,9 +625,9 @@ subroutine constitutive_collectDotState(S, FeArray, Fi, FpArray, subdt, ipc, ip,
subdt,ip,el)
end select plasticityType
SourceLoop: do i = 1, phase_Nsources(material_phase(ipc,ip,el))
SourceLoop: do i = 1, phase_Nsources(material_phaseAt(ipc,el))
sourceType: select case (phase_source(i,material_phase(ipc,ip,el)))
sourceType: select case (phase_source(i,material_phaseAt(ipc,el)))
case (SOURCE_damage_anisoBrittle_ID) sourceType
call source_damage_anisoBrittle_dotState (S, ipc, ip, el) !< correct stress?
@ -643,8 +639,8 @@ subroutine constitutive_collectDotState(S, FeArray, Fi, FpArray, subdt, ipc, ip,
call source_damage_anisoDuctile_dotState ( ipc, ip, el)
case (SOURCE_thermal_externalheat_ID) sourceType
of = phasememberAt(ipc,ip,el)
call source_thermal_externalheat_dotState(material_phase(ipc,ip,el),of)
of = material_phasememberAt(ipc,ip,el)
call source_thermal_externalheat_dotState(material_phaseAt(ipc,el),of)
end select sourceType
@ -652,6 +648,7 @@ subroutine constitutive_collectDotState(S, FeArray, Fi, FpArray, subdt, ipc, ip,
end subroutine constitutive_collectDotState
!--------------------------------------------------------------------------------------------------
!> @brief for constitutive models having an instantaneous change of state
!> will return false if delta state is not needed/supported by the constitutive model
@ -674,11 +671,11 @@ subroutine constitutive_collectDeltaState(S, Fe, Fi, ipc, ip, el)
Mp = matmul(matmul(transpose(Fi),Fi),S)
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_KINEHARDENING_ID) plasticityType
of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
call plastic_kinehardening_deltaState(Mp,instance,of)
case (PLASTICITY_NONLOCAL_ID) plasticityType
@ -686,9 +683,9 @@ subroutine constitutive_collectDeltaState(S, Fe, Fi, ipc, ip, el)
end select plasticityType
sourceLoop: do i = 1, phase_Nsources(material_phase(ipc,ip,el))
sourceLoop: do i = 1, phase_Nsources(material_phaseAt(ipc,el))
sourceType: select case (phase_source(i,material_phase(ipc,ip,el)))
sourceType: select case (phase_source(i,material_phaseAt(ipc,el)))
case (SOURCE_damage_isoBrittle_ID) sourceType
call source_damage_isoBrittle_deltaState (constitutive_homogenizedC(ipc,ip,el), Fe, &
@ -710,8 +707,8 @@ function constitutive_postResults(S, Fi, ipc, ip, el)
ipc, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), dimension(plasticState(material_phase(ipc,ip,el))%sizePostResults + &
sum(sourceState(material_phase(ipc,ip,el))%p(:)%sizePostResults)) :: &
real(pReal), dimension(plasticState(material_phaseAt(ipc,el))%sizePostResults + &
sum(sourceState(material_phaseAt(ipc,el))%p(:)%sizePostResults)) :: &
constitutive_postResults
real(pReal), intent(in), dimension(3,3) :: &
Fi !< intermediate deformation gradient
@ -734,12 +731,12 @@ function constitutive_postResults(S, Fi, ipc, ip, el)
tme = thermalMapping(ho)%p(ip,el)
startPos = 1
endPos = plasticState(material_phase(ipc,ip,el))%sizePostResults
endPos = plasticState(material_phaseAt(ipc,el))%sizePostResults
of = phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phase(ipc,ip,el))
of = material_phasememberAt(ipc,ip,el)
instance = phase_plasticityInstance(material_phaseAt(ipc,el))
plasticityType: select case (phase_plasticity(material_phase(ipc,ip,el)))
plasticityType: select case (phase_plasticity(material_phaseAt(ipc,el)))
case (PLASTICITY_ISOTROPIC_ID) plasticityType
constitutive_postResults(startPos:endPos) = &
plastic_isotropic_postResults(Mp,instance,of)
@ -762,23 +759,23 @@ function constitutive_postResults(S, Fi, ipc, ip, el)
case (PLASTICITY_NONLOCAL_ID) plasticityType
constitutive_postResults(startPos:endPos) = &
plastic_nonlocal_postResults (material_phase(ipc,ip,el),instance,of)
plastic_nonlocal_postResults (material_phaseAt(ipc,el),instance,of)
end select plasticityType
SourceLoop: do i = 1, phase_Nsources(material_phase(ipc,ip,el))
SourceLoop: do i = 1, phase_Nsources(material_phaseAt(ipc,el))
startPos = endPos + 1
endPos = endPos + sourceState(material_phase(ipc,ip,el))%p(i)%sizePostResults
of = phasememberAt(ipc,ip,el)
sourceType: select case (phase_source(i,material_phase(ipc,ip,el)))
endPos = endPos + sourceState(material_phaseAt(ipc,el))%p(i)%sizePostResults
of = material_phasememberAt(ipc,ip,el)
sourceType: select case (phase_source(i,material_phaseAt(ipc,el)))
case (SOURCE_damage_isoBrittle_ID) sourceType
constitutive_postResults(startPos:endPos) = source_damage_isoBrittle_postResults(material_phase(ipc,ip,el),of)
constitutive_postResults(startPos:endPos) = source_damage_isoBrittle_postResults(material_phaseAt(ipc,el),of)
case (SOURCE_damage_isoDuctile_ID) sourceType
constitutive_postResults(startPos:endPos) = source_damage_isoDuctile_postResults(material_phase(ipc,ip,el),of)
constitutive_postResults(startPos:endPos) = source_damage_isoDuctile_postResults(material_phaseAt(ipc,el),of)
case (SOURCE_damage_anisoBrittle_ID) sourceType
constitutive_postResults(startPos:endPos) = source_damage_anisoBrittle_postResults(material_phase(ipc,ip,el),of)
constitutive_postResults(startPos:endPos) = source_damage_anisoBrittle_postResults(material_phaseAt(ipc,el),of)
case (SOURCE_damage_anisoDuctile_ID) sourceType
constitutive_postResults(startPos:endPos) = source_damage_anisoDuctile_postResults(material_phase(ipc,ip,el),of)
constitutive_postResults(startPos:endPos) = source_damage_anisoDuctile_postResults(material_phaseAt(ipc,el),of)
end select sourceType
enddo SourceLoop
@ -790,12 +787,11 @@ end function constitutive_postResults
!> @brief writes constitutive results to HDF5 output file
!--------------------------------------------------------------------------------------------------
subroutine constitutive_results
#if defined(PETSc) || defined(DAMASK_HDF5)
integer :: p
character(len=256) :: group
#if defined(PETSc) || defined(DAMASK_HDF5)
do p=1,size(phase_name)
group = trim('current/constituent')//'/'//trim(phase_name(p))
do p=1,size(config_name_phase)
group = trim('current/constituent')//'/'//trim(config_name_phase(p))
call HDF5_closeGroup(results_addGroup(group))
group = trim(group)//'/plastic'
@ -824,9 +820,6 @@ subroutine constitutive_results
enddo
#endif
end subroutine constitutive_results
end module constitutive

85
src/crystallite.f90
View File

@ -364,7 +364,7 @@ subroutine crystallite_init
do r = 1,size(config_crystallite)
if (any(microstructure_crystallite(discretization_microstructureAt) == r)) then
write(FILEUNIT,'(/,a,/)') '['//trim(crystallite_name(r))//']'
write(FILEUNIT,'(/,a,/)') '['//trim(config_name_crystallite(r))//']'
do o = 1,crystallite_Noutput(r)
write(FILEUNIT,'(a,i4)') trim(crystallite_output(o,r))//char(9),crystallite_sizePostResult(o,r)
enddo
@ -386,7 +386,7 @@ subroutine crystallite_init
crystallite_Fp0(1:3,1:3,c,i,e) = math_EulerToR(material_EulerAngles(1:3,c,i,e)) ! plastic def gradient reflects init orientation
crystallite_Fi0(1:3,1:3,c,i,e) = constitutive_initialFi(c,i,e)
crystallite_F0(1:3,1:3,c,i,e) = math_I3
crystallite_localPlasticity(c,i,e) = phase_localPlasticity(material_phase(c,i,e))
crystallite_localPlasticity(c,i,e) = phase_localPlasticity(material_phaseAt(c,e))
crystallite_Fe(1:3,1:3,c,i,e) = math_inv33(matmul(crystallite_Fi0(1:3,1:3,c,i,e), &
crystallite_Fp0(1:3,1:3,c,i,e))) ! assuming that euler angles are given in internal strain free configuration
crystallite_Fp(1:3,1:3,c,i,e) = crystallite_Fp0(1:3,1:3,c,i,e)
@ -483,12 +483,12 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
elementLooping1: do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e); do c = 1,homogenization_Ngrains(material_homogenizationAt(e))
homogenizationRequestsCalculation: if (crystallite_requested(c,i,e)) then
plasticState (phaseAt(c,i,e))%subState0( :,phasememberAt(c,i,e)) = &
plasticState (phaseAt(c,i,e))%partionedState0(:,phasememberAt(c,i,e))
plasticState (material_phaseAt(c,e))%subState0( :,material_phaseMemberAt(c,i,e)) = &
plasticState (material_phaseAt(c,e))%partionedState0(:,material_phaseMemberAt(c,i,e))
do s = 1, phase_Nsources(phaseAt(c,i,e))
sourceState(phaseAt(c,i,e))%p(s)%subState0( :,phasememberAt(c,i,e)) = &
sourceState(phaseAt(c,i,e))%p(s)%partionedState0(:,phasememberAt(c,i,e))
do s = 1, phase_Nsources(material_phaseAt(c,e))
sourceState(material_phaseAt(c,e))%p(s)%subState0( :,material_phaseMemberAt(c,i,e)) = &
sourceState(material_phaseAt(c,e))%p(s)%partionedState0(:,material_phaseMemberAt(c,i,e))
enddo
crystallite_subFp0(1:3,1:3,c,i,e) = crystallite_partionedFp0(1:3,1:3,c,i,e)
crystallite_subLp0(1:3,1:3,c,i,e) = crystallite_partionedLp0(1:3,1:3,c,i,e)
@ -543,11 +543,11 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
crystallite_subFi0(1:3,1:3,c,i,e) = crystallite_Fi (1:3,1:3,c,i,e)
crystallite_subS0 (1:3,1:3,c,i,e) = crystallite_S (1:3,1:3,c,i,e)
!if abbrevation, make c and p private in omp
plasticState( phaseAt(c,i,e))%subState0(:,phasememberAt(c,i,e)) &
= plasticState(phaseAt(c,i,e))%state( :,phasememberAt(c,i,e))
do s = 1, phase_Nsources(phaseAt(c,i,e))
sourceState( phaseAt(c,i,e))%p(s)%subState0(:,phasememberAt(c,i,e)) &
= sourceState(phaseAt(c,i,e))%p(s)%state( :,phasememberAt(c,i,e))
plasticState( material_phaseAt(c,e))%subState0(:,material_phaseMemberAt(c,i,e)) &
= plasticState(material_phaseAt(c,e))%state( :,material_phaseMemberAt(c,i,e))
do s = 1, phase_Nsources(material_phaseAt(c,e))
sourceState( material_phaseAt(c,e))%p(s)%subState0(:,material_phaseMemberAt(c,i,e)) &
= sourceState(material_phaseAt(c,e))%p(s)%state( :,material_phaseMemberAt(c,i,e))
enddo
#ifdef DEBUG
if (iand(debug_level(debug_crystallite),debug_levelBasic) /= 0 &
@ -572,11 +572,11 @@ function crystallite_stress(dummyArgumentToPreventInternalCompilerErrorWithGCC)
crystallite_Lp (1:3,1:3,c,i,e) = crystallite_subLp0(1:3,1:3,c,i,e)
crystallite_Li (1:3,1:3,c,i,e) = crystallite_subLi0(1:3,1:3,c,i,e)
endif
plasticState (phaseAt(c,i,e))%state( :,phasememberAt(c,i,e)) &
= plasticState(phaseAt(c,i,e))%subState0(:,phasememberAt(c,i,e))
do s = 1, phase_Nsources(phaseAt(c,i,e))
sourceState( phaseAt(c,i,e))%p(s)%state( :,phasememberAt(c,i,e)) &
= sourceState(phaseAt(c,i,e))%p(s)%subState0(:,phasememberAt(c,i,e))
plasticState (material_phaseAt(c,e))%state( :,material_phaseMemberAt(c,i,e)) &
= plasticState(material_phaseAt(c,e))%subState0(:,material_phaseMemberAt(c,i,e))
do s = 1, phase_Nsources(material_phaseAt(c,e))
sourceState( material_phaseAt(c,e))%p(s)%state( :,material_phaseMemberAt(c,i,e)) &
= sourceState(material_phaseAt(c,e))%p(s)%subState0(:,material_phaseMemberAt(c,i,e))
enddo
! cant restore dotState here, since not yet calculated in first cutback after initialization
@ -839,7 +839,7 @@ subroutine crystallite_orientations
!$OMP PARALLEL DO
do e = FEsolving_execElem(1),FEsolving_execElem(2)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
if (plasticState(material_phase(1,i,e))%nonLocal) & ! if nonlocal model
if (plasticState(material_phaseAt(1,e))%nonLocal) & ! if nonlocal model
call plastic_nonlocal_updateCompatibility(crystallite_orientation,i,e)
enddo; enddo
!$OMP END PARALLEL DO
@ -879,8 +879,8 @@ function crystallite_postResults(ipc, ip, el)
ipc !< grain index
real(pReal), dimension(1+crystallite_sizePostResults(microstructure_crystallite(discretization_microstructureAt(el))) + &
1+plasticState(material_phase(ipc,ip,el))%sizePostResults + &
sum(sourceState(material_phase(ipc,ip,el))%p(:)%sizePostResults)) :: &
1+plasticState(material_phaseAt(ipc,el))%sizePostResults + &
sum(sourceState(material_phaseAt(ipc,el))%p(:)%sizePostResults)) :: &
crystallite_postResults
integer :: &
o, &
@ -901,7 +901,7 @@ function crystallite_postResults(ipc, ip, el)
select case(crystallite_outputID(o,crystID))
case (phase_ID)
mySize = 1
crystallite_postResults(c+1) = real(material_phase(ipc,ip,el),pReal) ! phaseID of grain
crystallite_postResults(c+1) = real(material_phaseAt(ipc,el),pReal) ! phaseID of grain
case (texture_ID)
mySize = 1
crystallite_postResults(c+1) = real(material_texture(ipc,ip,el),pReal) ! textureID of grain
@ -967,7 +967,7 @@ function crystallite_postResults(ipc, ip, el)
c = c + mySize
enddo
crystallite_postResults(c+1) = real(plasticState(material_phase(ipc,ip,el))%sizePostResults,pReal) ! size of constitutive results
crystallite_postResults(c+1) = real(plasticState(material_phaseAt(ipc,el))%sizePostResults,pReal) ! size of constitutive results
c = c + 1
if (size(crystallite_postResults)-c > 0) &
crystallite_postResults(c+1:size(crystallite_postResults)) = &
@ -982,9 +982,6 @@ end function crystallite_postResults
!--------------------------------------------------------------------------------------------------
subroutine crystallite_results
#if defined(PETSc) || defined(DAMASK_HDF5)
use config, only: &
config_name_phase => phase_name ! anticipate logical name
integer :: p,o
real(pReal), allocatable, dimension(:,:,:) :: selected_tensors
type(rotation), allocatable, dimension(:) :: selected_rotations
@ -1053,9 +1050,9 @@ subroutine crystallite_results
contains
!--------------------------------------------------------------------------------------------------
!------------------------------------------------------------------------------------------------
!> @brief select tensors for output
!--------------------------------------------------------------------------------------------------
!------------------------------------------------------------------------------------------------
function select_tensors(dataset,instance)
integer, intent(in) :: instance
@ -1106,8 +1103,6 @@ subroutine crystallite_results
end function select_rotations
#endif
end subroutine crystallite_results
@ -1195,10 +1190,8 @@ logical function integrateStress(ipc,ip,el,timeFraction)
Fg_new = crystallite_subF(1:3,1:3,ipc,ip,el)
endif
!* feed local variables
Lpguess = crystallite_Lp(1:3,1:3,ipc,ip,el) ! ... and take it as first guess
Liguess = crystallite_Li(1:3,1:3,ipc,ip,el) ! ... and take it as first guess
Lpguess = crystallite_Lp(1:3,1:3,ipc,ip,el) ! take as first guess
Liguess = crystallite_Li(1:3,1:3,ipc,ip,el) ! take as first guess
Liguess_old = Liguess
invFp_current = math_inv33(crystallite_subFp0(1:3,1:3,ipc,ip,el))
@ -1555,7 +1548,7 @@ subroutine integrateStateFPI
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
plasticState(p)%previousDotState2(:,c) = merge(plasticState(p)%previousDotState(:,c),&
0.0_pReal,&
@ -1583,7 +1576,7 @@ subroutine integrateStateFPI
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
sizeDotState = plasticState(p)%sizeDotState
zeta = damper(plasticState(p)%dotState (:,c), &
@ -1746,7 +1739,7 @@ subroutine integrateStateAdaptiveEuler
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
if (crystallite_todo(g,i,e)) then
p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
sizeDotState = plasticState(p)%sizeDotState
residuum_plastic(1:sizeDotState,g,i,e) = plasticState(p)%dotstate(1:sizeDotState,c) &
@ -1775,7 +1768,7 @@ subroutine integrateStateAdaptiveEuler
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
if (crystallite_todo(g,i,e)) then
p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
sizeDotState = plasticState(p)%sizeDotState
residuum_plastic(1:sizeDotState,g,i,e) = residuum_plastic(1:sizeDotState,g,i,e) &
@ -1835,7 +1828,7 @@ subroutine integrateStateRK4
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
if (crystallite_todo(g,i,e)) then
p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
plasticState(p)%RK4dotState(:,c) = WEIGHT(n)*plasticState(p)%dotState(:,c) &
+ merge(plasticState(p)%RK4dotState(:,c),0.0_pReal,n>1)
@ -1926,7 +1919,7 @@ subroutine integrateStateRKCK45
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
if (crystallite_todo(g,i,e)) then
p = phaseAt(g,i,e); cc = phasememberAt(g,i,e)
p = material_phaseAt(g,e); cc = material_phaseMemberAt(g,i,e)
plasticState(p)%RKCK45dotState(stage,:,cc) = plasticState(p)%dotState(:,cc)
plasticState(p)%dotState(:,cc) = A(1,stage) * plasticState(p)%RKCK45dotState(1,:,cc)
@ -1966,7 +1959,7 @@ subroutine integrateStateRKCK45
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
if (crystallite_todo(g,i,e)) then
p = phaseAt(g,i,e); cc = phasememberAt(g,i,e)
p = material_phaseAt(g,e); cc = material_phaseMemberAt(g,i,e)
sizeDotState = plasticState(p)%sizeDotState
@ -2005,7 +1998,7 @@ subroutine integrateStateRKCK45
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
if (crystallite_todo(g,i,e)) then
p = phaseAt(g,i,e); cc = phasememberAt(g,i,e)
p = material_phaseAt(g,e); cc = material_phaseMemberAt(g,i,e)
sizeDotState = plasticState(p)%sizeDotState
@ -2163,7 +2156,7 @@ subroutine update_state(timeFraction)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
do g = 1,homogenization_Ngrains(material_homogenizationAt(e))
if (crystallite_todo(g,i,e) .and. .not. crystallite_converged(g,i,e)) then
p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
mySize = plasticState(p)%sizeDotState
plasticState(p)%state(1:mySize,c) = plasticState(p)%subState0(1:mySize,c) &
@ -2214,7 +2207,7 @@ subroutine update_dotState(timeFraction)
crystallite_Fi(1:3,1:3,g,i,e), &
crystallite_Fp, &
crystallite_subdt(g,i,e)*timeFraction, g,i,e)
p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
NaN = any(IEEE_is_NaN(plasticState(p)%dotState(:,c)))
do s = 1, phase_Nsources(p)
NaN = NaN .or. any(IEEE_is_NaN(sourceState(p)%p(s)%dotState(:,c)))
@ -2259,7 +2252,7 @@ subroutine update_deltaState
crystallite_Fe(1:3,1:3,g,i,e), &
crystallite_Fi(1:3,1:3,g,i,e), &
g,i,e)
p = phaseAt(g,i,e); c = phasememberAt(g,i,e)
p = material_phaseAt(g,e); c = material_phaseMemberAt(g,i,e)
myOffset = plasticState(p)%offsetDeltaState
mySize = plasticState(p)%sizeDeltaState
NaN = any(IEEE_is_NaN(plasticState(p)%deltaState(1:mySize,c)))
@ -2311,8 +2304,8 @@ logical function stateJump(ipc,ip,el)
myOffset, &
mySize
c = phasememberAt(ipc,ip,el)
p = phaseAt(ipc,ip,el)
c = material_phaseMemberAt(ipc,ip,el)
p = material_phaseAt(ipc,el)
call constitutive_collectDeltaState(crystallite_S(1:3,1:3,ipc,ip,el), &
crystallite_Fe(1:3,1:3,ipc,ip,el), &

4
src/damage_local.f90
View File

@ -178,8 +178,8 @@ subroutine damage_local_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip, el
phiDot = 0.0_pReal
dPhiDot_dPhi = 0.0_pReal
do grain = 1, homogenization_Ngrains(material_homogenizationAt(el))
phase = phaseAt(grain,ip,el)
constituent = phasememberAt(grain,ip,el)
phase = material_phaseAt(grain,el)
constituent = material_phasememberAt(grain,ip,el)
do source = 1, phase_Nsources(phase)
select case(phase_source(source,phase))
case (SOURCE_damage_isoBrittle_ID)

8
src/damage_nonlocal.f90
View File

@ -144,8 +144,8 @@ subroutine damage_nonlocal_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, phi, ip,
phiDot = 0.0_pReal
dPhiDot_dPhi = 0.0_pReal
do grain = 1, homogenization_Ngrains(material_homogenizationAt(el))
phase = phaseAt(grain,ip,el)
constituent = phasememberAt(grain,ip,el)
phase = material_phaseAt(grain,el)
constituent = material_phasememberAt(grain,ip,el)
do source = 1, phase_Nsources(phase)
select case(phase_source(source,phase))
case (SOURCE_damage_isoBrittle_ID)
@ -194,7 +194,7 @@ function damage_nonlocal_getDiffusion33(ip,el)
damage_nonlocal_getDiffusion33 = 0.0_pReal
do grain = 1, homogenization_Ngrains(homog)
damage_nonlocal_getDiffusion33 = damage_nonlocal_getDiffusion33 + &
crystallite_push33ToRef(grain,ip,el,lattice_DamageDiffusion33(1:3,1:3,material_phase(grain,ip,el)))
crystallite_push33ToRef(grain,ip,el,lattice_DamageDiffusion33(1:3,1:3,material_phaseAt(grain,el)))
enddo
damage_nonlocal_getDiffusion33 = &
@ -217,7 +217,7 @@ real(pReal) function damage_nonlocal_getMobility(ip,el)
damage_nonlocal_getMobility = 0.0_pReal
do ipc = 1, homogenization_Ngrains(material_homogenizationAt(el))
damage_nonlocal_getMobility = damage_nonlocal_getMobility + lattice_DamageMobility(material_phase(ipc,ip,el))
damage_nonlocal_getMobility = damage_nonlocal_getMobility + lattice_DamageMobility(material_phaseAt(ipc,el))
enddo
damage_nonlocal_getMobility = damage_nonlocal_getMobility/&

12
src/discretization.f90
View File

@ -1,5 +1,6 @@
!--------------------------------------------------------------------------------------------------
!> @brief spatial discretization
!> @details serves as an abstraction layer between the different solvers and DAMASK
!--------------------------------------------------------------------------------------------------
module discretization
@ -30,7 +31,9 @@ module discretization
contains
!--------------------------------------------------------------------------------------------------
!> @brief stores the relevant information in globally accesible variables
!--------------------------------------------------------------------------------------------------
subroutine discretization_init(homogenizationAt,microstructureAt,IPcoords0,NodeCoords0)
integer, dimension(:), intent(in) :: &
@ -57,6 +60,9 @@ subroutine discretization_init(homogenizationAt,microstructureAt,IPcoords0,NodeC
end subroutine discretization_init
!--------------------------------------------------------------------------------------------------
!> @brief write the displacements
!--------------------------------------------------------------------------------------------------
subroutine discretization_results
#if defined(PETSc) || defined(DAMASK_HDF5)
real(pReal), dimension(:,:), allocatable :: u
@ -70,6 +76,9 @@ subroutine discretization_results
end subroutine discretization_results
!--------------------------------------------------------------------------------------------------
!> @brief stores current IP coordinates
!--------------------------------------------------------------------------------------------------
subroutine discretization_setIPcoords(IPcoords)
real(pReal), dimension(:,:), intent(in) :: IPcoords
@ -78,5 +87,4 @@ subroutine discretization_setIPcoords(IPcoords)
end subroutine discretization_setIPcoords
end module discretization

220
src/element.f90
View File

@ -10,7 +10,7 @@ module element
private
!---------------------------------------------------------------------------------------------------
!> Properties of a single element (the element used in the mesh)
!> Properties of a single element
!---------------------------------------------------------------------------------------------------
type, public :: tElement
integer :: &
@ -21,11 +21,9 @@ module element
Ncellnodes, &
NcellnodesPerCell, &
nIPs, &
nIPneighbors, & ! ToDo: MD: Do all IPs in one element type have the same number of neighbors?
maxNnodeAtIP
nIPneighbors
integer, dimension(:,:), allocatable :: &
Cell, & !< intra-element (cell) nodes that constitute a cell
NnodeAtIP, &
IPneighbor, &
cellFace
integer, dimension(:,:), allocatable :: &
@ -139,21 +137,6 @@ module element
4 & ! 3D 8node
] !< number of cell nodes in a specific cell type
!integer, dimension(maxval(geomType)), parameter, private :: maxNodeAtIP = & ! Intel 16.0 complains
integer, dimension(10), parameter, private :: maxNnodeAtIP = &
[ &
3, &
1, &
1, &
2, &
4, &
1, &
1, &
8, &
1, &
4 &
] !< maximum number of parent nodes that belong to an IP for a specific type of element
!integer, dimension(maxval(CELLTYPE)), parameter, private :: NCELLNODEPERCELL = & ! Intel 16.0 complains
integer, dimension(4), parameter, private :: NCELLNODEPERCELL = &
[ &
@ -163,114 +146,6 @@ module element
8 & ! 3D 8node
] !< number of cell nodes in a specific cell type
! --------------------------------------------------------------------------------------------------
! MD: probably not needed START
integer, dimension(maxNnodeAtIP(1),nIP(1)), parameter, private :: NnodeAtIP1 = &
reshape([&
1,2,3 &
],[maxNnodeAtIP(1),nIP(1)])
integer, dimension(maxNnodeAtIP(2),nIP(2)), parameter, private :: NnodeAtIP2 = &
reshape([&
1, &
2, &
3 &
],[maxNnodeAtIP(2),nIP(2)])
integer, dimension(maxNnodeAtIP(3),nIP(3)), parameter, private :: NnodeAtIP3 = &
reshape([&
1, &
2, &
4, &
3 &
],[maxNnodeAtIP(3),nIP(3)])
integer, dimension(maxNnodeAtIP(4),nIP(4)), parameter, private :: NnodeAtIP4 = &
reshape([&
1,0, &
1,2, &
2,0, &
1,4, &
0,0, &
2,3, &
4,0, &
3,4, &
3,0 &
],[maxNnodeAtIP(4),nIP(4)])
integer, dimension(maxNnodeAtIP(5),nIP(5)), parameter, private :: NnodeAtIP5 = &
reshape([&
1,2,3,4 &
],[maxNnodeAtIP(5),nIP(5)])
integer, dimension(maxNnodeAtIP(6),nIP(6)), parameter, private :: NnodeAtIP6 = &
reshape([&
1, &
2, &
3, &
4 &
],[maxNnodeAtIP(6),nIP(6)])
integer, dimension(maxNnodeAtIP(7),nIP(7)), parameter, private :: NnodeAtIP7 = &
reshape([&
1, &
2, &
3, &
4, &
5, &
6 &
],[maxNnodeAtIP(7),nIP(7)])
integer, dimension(maxNnodeAtIP(8),nIP(8)), parameter, private :: NnodeAtIP8 = &
reshape([&
1,2,3,4,5,6,7,8 &
],[maxNnodeAtIP(8),nIP(8)])
integer, dimension(maxNnodeAtIP(9),nIP(9)), parameter, private :: NnodeAtIP9 = &
reshape([&
1, &
2, &
4, &
3, &
5, &
6, &
8, &
7 &
],[maxNnodeAtIP(9),nIP(9)])
integer, dimension(maxNnodeAtIP(10),nIP(10)), parameter, private :: NnodeAtIP10 = &
reshape([&
1,0, 0,0, &
1,2, 0,0, &
2,0, 0,0, &
1,4, 0,0, &
1,3, 2,4, &
2,3, 0,0, &
4,0, 0,0, &
3,4, 0,0, &
3,0, 0,0, &
1,5, 0,0, &
1,6, 2,5, &
2,6, 0,0, &
1,8, 4,5, &
0,0, 0,0, &
2,7, 3,6, &
4,8, 0,0, &
3,8, 4,7, &
3,7, 0,0, &
5,0, 0,0, &
5,6, 0,0, &
6,0, 0,0, &
5,8, 0,0, &
5,7, 6,8, &
6,7, 0,0, &
8,0, 0,0, &
7,8, 0,0, &
7,0, 0,0 &
],[maxNnodeAtIP(10),nIP(10)])
! *** FE_ipNeighbor ***
! is a list of the neighborhood of each IP.
! It is sorted in (local) +x,-x, +y,-y, +z,-z direction.
@ -386,15 +261,15 @@ module element
real(pReal), dimension(nNode(1),NcellNode(geomType(1))), parameter :: cellNodeParentNodeWeights1 = &
reshape(real([&
integer, dimension(nNode(1),NcellNode(geomType(1))), parameter :: cellNodeParentNodeWeights1 = &
reshape([&
1, 0, 0, &
0, 1, 0, &
0, 0, 1 &
],pReal),[nNode(1),NcellNode(geomType(1))]) ! 2D 3node 1ip
],[nNode(1),NcellNode(geomType(1))]) !< 2D 3node 1ip
real(pReal), dimension(nNode(2),NcellNode(geomType(2))), parameter :: cellNodeParentNodeWeights2 = &
reshape(real([&
integer, dimension(nNode(2),NcellNode(geomType(2))), parameter :: cellNodeParentNodeWeights2 = &
reshape([&
1, 0, 0, 0, 0, 0, &
0, 1, 0, 0, 0, 0, &
0, 0, 1, 0, 0, 0, &
@ -402,10 +277,10 @@ module element
0, 0, 0, 0, 1, 0, &
0, 0, 0, 0, 0, 1, &
1, 1, 1, 2, 2, 2 &
],pReal),[nNode(2),NcellNode(geomType(2))]) ! 2D 6node 3ip
],[nNode(2),NcellNode(geomType(2))]) !< 2D 6node 3ip
real(pReal), dimension(nNode(3),NcellNode(geomType(3))), parameter :: cellNodeParentNodeWeights3 = &
reshape(real([&
integer, dimension(nNode(3),NcellNode(geomType(3))), parameter :: cellNodeParentNodeWeights3 = &
reshape([&
1, 0, 0, 0, &
0, 1, 0, 0, &
0, 0, 1, 0, &
@ -415,10 +290,10 @@ module element
0, 0, 1, 1, &
1, 0, 0, 1, &
1, 1, 1, 1 &
],pReal),[nNode(3),NcellNode(geomType(3))]) ! 2D 6node 3ip
],[nNode(3),NcellNode(geomType(3))]) !< 2D 6node 3ip
real(pReal), dimension(nNode(4),NcellNode(geomType(4))), parameter :: cellNodeParentNodeWeights4 = &
reshape(real([&
integer, dimension(nNode(4),NcellNode(geomType(4))), parameter :: cellNodeParentNodeWeights4 = &
reshape([&
1, 0, 0, 0, 0, 0, 0, 0, &
0, 1, 0, 0, 0, 0, 0, 0, &
0, 0, 1, 0, 0, 0, 0, 0, &
@ -435,10 +310,10 @@ module element
1, 4, 1, 1, 8, 8, 2, 2, &
1, 1, 4, 1, 2, 8, 8, 2, &
1, 1, 1, 4, 2, 2, 8, 8 &
],pReal),[nNode(4),NcellNode(geomType(4))]) ! 2D 8node 9ip
],[nNode(4),NcellNode(geomType(4))]) !< 2D 8node 9ip
real(pReal), dimension(nNode(5),NcellNode(geomType(5))), parameter :: cellNodeParentNodeWeights5 = &
reshape(real([&
integer, dimension(nNode(5),NcellNode(geomType(5))), parameter :: cellNodeParentNodeWeights5 = &
reshape([&
1, 0, 0, 0, 0, 0, 0, 0, &
0, 1, 0, 0, 0, 0, 0, 0, &
0, 0, 1, 0, 0, 0, 0, 0, &
@ -448,18 +323,18 @@ module element
0, 0, 0, 0, 0, 0, 1, 0, &
0, 0, 0, 0, 0, 0, 0, 1, &
1, 1, 1, 1, 2, 2, 2, 2 &
],pReal),[nNode(5),NcellNode(geomType(5))]) ! 2D 8node 4ip
],[nNode(5),NcellNode(geomType(5))]) !< 2D 8node 4ip
real(pReal), dimension(nNode(6),NcellNode(geomType(6))), parameter :: cellNodeParentNodeWeights6 = &
reshape(real([&
integer, dimension(nNode(6),NcellNode(geomType(6))), parameter :: cellNodeParentNodeWeights6 = &
reshape([&
1, 0, 0, 0, &
0, 1, 0, 0, &
0, 0, 1, 0, &
0, 0, 0, 1 &
],pReal),[nNode(6),NcellNode(geomType(6))]) ! 3D 4node 1ip
],[nNode(6),NcellNode(geomType(6))]) !< 3D 4node 1ip
real(pReal), dimension(nNode(7),NcellNode(geomType(7))), parameter :: cellNodeParentNodeWeights7 = &
reshape(real([&
integer, dimension(nNode(7),NcellNode(geomType(7))), parameter :: cellNodeParentNodeWeights7 = &
reshape([&
1, 0, 0, 0, 0, &
0, 1, 0, 0, 0, &
0, 0, 1, 0, 0, &
@ -475,10 +350,10 @@ module element
0, 1, 1, 1, 0, &
1, 0, 1, 1, 0, &
0, 0, 0, 0, 1 &
],pReal),[nNode(7),NcellNode(geomType(7))]) ! 3D 5node 4ip
],[nNode(7),NcellNode(geomType(7))]) !< 3D 5node 4ip
real(pReal), dimension(nNode(8),NcellNode(geomType(8))), parameter :: cellNodeParentNodeWeights8 = &
reshape(real([&
integer, dimension(nNode(8),NcellNode(geomType(8))), parameter :: cellNodeParentNodeWeights8 = &
reshape([&
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, &
0, 1, 0, 0, 0, 0, 0, 0, 0, 0, &
0, 0, 1, 0, 0, 0, 0, 0, 0, 0, &
@ -494,10 +369,10 @@ module element
0, 1, 1, 1, 0, 2, 0, 0, 2, 2, &
1, 0, 1, 1, 0, 0, 2, 2, 0, 2, &
3, 3, 3, 3, 4, 4, 4, 4, 4, 4 &
],pReal),[nNode(8),NcellNode(geomType(8))]) ! 3D 10node 4ip
],[nNode(8),NcellNode(geomType(8))]) !< 3D 10node 4ip
real(pReal), dimension(nNode(9),NcellNode(geomType(9))), parameter :: cellNodeParentNodeWeights9 = &
reshape(real([&
integer, dimension(nNode(9),NcellNode(geomType(9))), parameter :: cellNodeParentNodeWeights9 = &
reshape([&
1, 0, 0, 0, 0, 0, &
0, 1, 0, 0, 0, 0, &
0, 0, 1, 0, 0, 0, &
@ -519,10 +394,10 @@ module element
1, 0, 1, 1, 0, 1, &
0, 0, 0, 1, 1, 1, &
1, 1, 1, 1, 1, 1 &
],pReal),[nNode(9),NcellNode(geomType(9))]) ! 3D 6node 6ip
],[nNode(9),NcellNode(geomType(9))]) !< 3D 6node 6ip
real(pReal), dimension(nNode(10),NcellNode(geomType(10))), parameter :: cellNodeParentNodeWeights10 = &
reshape(real([&
integer, dimension(nNode(10),NcellNode(geomType(10))), parameter :: cellNodeParentNodeWeights10 = &
reshape([&
1, 0, 0, 0, 0, 0, 0, 0, &
0, 1, 0, 0, 0, 0, 0, 0, &
0, 0, 1, 0, 0, 0, 0, 0, &
@ -531,10 +406,10 @@ module element
0, 0, 0, 0, 0, 1, 0, 0, &
0, 0, 0, 0, 0, 0, 1, 0, &
0, 0, 0, 0, 0, 0, 0, 1 &
],pReal),[nNode(10),NcellNode(geomType(10))]) ! 3D 8node 1ip
],[nNode(10),NcellNode(geomType(10))]) !< 3D 8node 1ip
real(pReal), dimension(nNode(11),NcellNode(geomType(11))), parameter :: cellNodeParentNodeWeights11 = &
reshape(real([&
integer, dimension(nNode(11),NcellNode(geomType(11))), parameter :: cellNodeParentNodeWeights11 = &
reshape([&
1, 0, 0, 0, 0, 0, 0, 0, & !
0, 1, 0, 0, 0, 0, 0, 0, & !
0, 0, 1, 0, 0, 0, 0, 0, & !
@ -562,10 +437,10 @@ module element
1, 0, 0, 1, 1, 0, 0, 1, & ! 25
0, 0, 0, 0, 1, 1, 1, 1, & !
1, 1, 1, 1, 1, 1, 1, 1 & !
],pReal),[nNode(11),NcellNode(geomType(11))]) ! 3D 8node 8ip
],[nNode(11),NcellNode(geomType(11))]) !< 3D 8node 8ip
real(pReal), dimension(nNode(12),NcellNode(geomType(12))), parameter :: cellNodeParentNodeWeights12 = &
reshape(real([&
integer, dimension(nNode(12),NcellNode(geomType(12))), parameter :: cellNodeParentNodeWeights12 = &
reshape([&
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
@ -593,10 +468,10 @@ module element
1, 0, 0, 1, 1, 0, 0, 1, 0, 0, 0, 2, 0, 0, 0, 2, 2, 0, 0, 2, & ! 25
0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 0, 2, 2, 2, 2, 0, 0, 0, 0, & !
3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4 & !
],pReal),[nNode(12),NcellNode(geomType(12))]) ! 3D 20node 8ip
],[nNode(12),NcellNode(geomType(12))]) !< 3D 20node 8ip
real(pReal), dimension(nNode(13),NcellNode(geomType(13))), parameter :: cellNodeParentNodeWeights13 = &
reshape(real([&
integer, dimension(nNode(13),NcellNode(geomType(13))), parameter :: cellNodeParentNodeWeights13 = &
reshape([&
1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
0, 0, 1, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, & !
@ -661,7 +536,7 @@ module element
4, 8, 4, 3, 8,24, 8, 4, 12,12, 4, 4, 32,32,12,12, 12,32,12, 4, & !
3, 4, 8, 4, 4, 8,24, 8, 4,12,12, 4, 12,32,32,12, 4,12,32,12, & !
4, 3, 4, 8, 8, 4, 8,24, 4, 4,12,12, 12,12,32,32, 12, 4,12,32 & !
],pReal),[nNode(13),NcellNode(geomType(13))]) ! 3D 20node 27ip
],[nNode(13),NcellNode(geomType(13))]) !< 3D 20node 27ip
integer, dimension(NCELLNODEPERCELL(CELLTYPE(1)),NIP(1)), parameter :: CELL1 = &
@ -846,50 +721,38 @@ module element
self%NcellNodes = NcellNode (self%geomType)
self%maxNnodeAtIP = maxNnodeAtIP (self%geomType)
self%nIPs = nIP (self%geomType)
self%cellType = cellType (self%geomType)
select case (self%geomType)
case(1)
self%NnodeAtIP = NnodeAtIP1
self%IPneighbor = IPneighbor1
self%cell = CELL1
case(2)
self%NnodeAtIP = NnodeAtIP2
self%IPneighbor = IPneighbor2
self%cell = CELL2
case(3)
self%NnodeAtIP = NnodeAtIP3
self%IPneighbor = IPneighbor3
self%cell = CELL3
case(4)
self%NnodeAtIP = NnodeAtIP4
self%IPneighbor = IPneighbor4
self%cell = CELL4
case(5)
self%NnodeAtIP = NnodeAtIP5
self%IPneighbor = IPneighbor5
self%cell = CELL5
case(6)
self%NnodeAtIP = NnodeAtIP6
self%IPneighbor = IPneighbor6
self%cell = CELL6
case(7)
self%NnodeAtIP = NnodeAtIP7
self%IPneighbor = IPneighbor7
self%cell = CELL7
case(8)
self%NnodeAtIP = NnodeAtIP8
self%IPneighbor = IPneighbor8
self%cell = CELL8
case(9)
self%NnodeAtIP = NnodeAtIP9
self%IPneighbor = IPneighbor9
self%cell = CELL9
case(10)
self%NnodeAtIP = NnodeAtIP10
self%IPneighbor = IPneighbor10
self%cell = CELL10
end select
@ -919,7 +782,6 @@ module element
write(6,*) ' # cellnode: ',self%Ncellnodes
write(6,*) ' # cellnode/cell: ',self%NcellnodesPerCell
write(6,*) ' # IP neighbor: ',self%nIPneighbors
write(6,*)' max # node at IP: ',self%maxNnodeAtIP
end subroutine tElement_init

1
src/future.f90
View File

@ -32,6 +32,7 @@ function findloc(a,v)
end function findloc
#endif
#if defined(__PGI)
!--------------------------------------------------------------------------------------------------
!> @brief substitute for the norm2 intrinsic (only for real, dimension(3) at the moment)

12
src/grid/DAMASK_grid.f90
View File

@ -217,8 +217,7 @@ program DAMASK_spectral
case('freq','frequency','outputfreq') ! frequency of result writings
newLoadCase%outputfrequency = IO_intValue(line,chunkPos,i+1)
case('r','restart','restartwrite') ! frequency of writing restart information
newLoadCase%restartfrequency = &
max(0,IO_intValue(line,chunkPos,i+1))
newLoadCase%restartfrequency = IO_intValue(line,chunkPos,i+1)
case('guessreset','dropguessing')
newLoadCase%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
case('euler') ! rotation of load case given in euler angles
@ -300,6 +299,8 @@ program DAMASK_spectral
write(6,'(2x,a,i5)') 'increments: ', newLoadCase%incs
if (newLoadCase%outputfrequency < 1) errorID = 836 ! non-positive result frequency
write(6,'(2x,a,i5)') 'output frequency: ', newLoadCase%outputfrequency
if (newLoadCase%restartfrequency < 1) errorID = 839 ! non-positive restart frequency
if (newLoadCase%restartfrequency < huge(0)) &
write(6,'(2x,a,i5)') 'restart frequency: ', newLoadCase%restartfrequency
if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
endif reportAndCheck
@ -347,7 +348,7 @@ program DAMASK_spectral
write(fileUnit) 'times:', loadCases%time ! one entry per LoadCase
write(fileUnit) 'logscales:', loadCases%logscale
write(fileUnit) 'increments:', loadCases%incs ! one entry per LoadCase
write(fileUnit) 'startingIncrement:', restartInc ! start with writing out the previous inc
write(fileUnit) 'startingIncrement:', interface_restartInc ! start with writing out the previous inc
write(fileUnit) 'eoh'
close(fileUnit) ! end of header
open(newunit=statUnit,file=trim(getSolverJobName())//&
@ -425,7 +426,7 @@ program DAMASK_spectral
endif
timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
skipping: if (totalIncsCounter <= restartInc) then ! not yet at restart inc?
skipping: if (totalIncsCounter <= interface_restartInc) then ! not yet at restart inc?
time = time + timeinc ! just advance time, skip already performed calculation
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
else skipping
@ -561,8 +562,7 @@ program DAMASK_spectral
fileOffset = fileOffset + sum(outputSize) ! forward to current file position
call CPFEM_results(totalIncsCounter,time)
endif
if ( loadCases(currentLoadCase)%restartFrequency > 0 & ! writing of restart info requested ...
.and. mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0) then ! ... and at frequency of writing restart information
if (mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0) then ! at frequency of writing restart information
restartWrite = .true. ! set restart parameter for FEsolving
lastRestartWritten = inc ! QUESTION: first call to CPFEM_general will write?
endif

16
src/grid/grid_mech_FEM.f90
View File

@ -181,8 +181,9 @@ subroutine grid_mech_FEM_init
!--------------------------------------------------------------------------------------------------
! init fields
restart: if (restartInc > 0) then
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') 'reading values of increment ', restartInc, ' from file'
restartRead: if (interface_restartInc > 0) then
write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') &
'reading values of increment ', interface_restartInc, ' from file'
write(rankStr,'(a1,i0)')'_',worldrank
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5')
@ -195,10 +196,10 @@ subroutine grid_mech_FEM_init
call HDF5_read(fileHandle,u_current, 'u')
call HDF5_read(fileHandle,u_lastInc, 'u_lastInc')
elseif (restartInc == 0) then restart
elseif (interface_restartInc == 0) then restartRead
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
F = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3)
endif restart
endif restartRead
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
call utilities_updateIPcoords(F)
call utilities_constitutiveResponse(P_current,temp33_Real,C_volAvg,devNull, & ! stress field, stress avg, global average of stiffness and (min+max)/2
@ -210,12 +211,13 @@ subroutine grid_mech_FEM_init
call DMDAVecRestoreArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr)
CHKERRQ(ierr)
restartRead: if (restartInc > 0) then
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') 'reading more values of increment ', restartInc, ' from file'
restartRead2: if (interface_restartInc > 0) then
write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') &
'reading more values of increment ', interface_restartInc, ' from file'
call HDF5_read(fileHandle,C_volAvg, 'C_volAvg')
call HDF5_read(fileHandle,C_volAvgLastInc,'C_volAvgLastInc')
call HDF5_closeFile(fileHandle)
endif restartRead
endif restartRead2
end subroutine grid_mech_FEM_init

16
src/grid/grid_mech_spectral_basic.f90
View File

@ -151,8 +151,9 @@ subroutine grid_mech_spectral_basic_init
! init fields
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! places pointer on PETSc data
restart: if (restartInc > 0) then
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') ' reading values of increment ', restartInc, ' from file'
restartRead: if (interface_restartInc > 0) then
write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') &
' reading values of increment ', interface_restartInc, ' from file'
write(rankStr,'(a1,i0)')'_',worldrank
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5')
@ -163,10 +164,10 @@ subroutine grid_mech_spectral_basic_init
call HDF5_read(fileHandle,F, 'F')
call HDF5_read(fileHandle,F_lastInc, 'F_lastInc')
elseif (restartInc == 0) then restart
elseif (interface_restartInc == 0) then restartRead
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
endif restart
endif restartRead
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
@ -176,15 +177,16 @@ subroutine grid_mech_spectral_basic_init
math_I3) ! no rotation of boundary condition
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! deassociate pointer
restartRead: if (restartInc > 0) then
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') 'reading more values of increment ', restartInc, ' from file'
restartRead2: if (interface_restartInc > 0) then
write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') &
'reading more values of increment ', interface_restartInc, ' from file'
call HDF5_read(fileHandle,C_volAvg, 'C_volAvg')
call HDF5_read(fileHandle,C_volAvgLastInc,'C_volAvgLastInc')
call HDF5_closeFile(fileHandle)
fileUnit = IO_open_jobFile_binary('C_ref')
read(fileUnit) C_minMaxAvg; close(fileUnit)
endif restartRead
endif restartRead2
call utilities_updateGamma(C_minMaxAvg,.true.)

16
src/grid/grid_mech_spectral_polarisation.f90
View File

@ -160,8 +160,9 @@ subroutine grid_mech_spectral_polarisation_init
F => FandF_tau( 0: 8,:,:,:)
F_tau => FandF_tau( 9:17,:,:,:)
restart: if (restartInc > 0) then
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') ' reading values of increment ', restartInc, ' from file'
restartRead: if (interface_restartInc > 0) then
write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') &
' reading values of increment ', interface_restartInc, ' from file'
write(rankStr,'(a1,i0)')'_',worldrank
fileHandle = HDF5_openFile(trim(getSolverJobName())//trim(rankStr)//'.hdf5')
@ -174,12 +175,12 @@ subroutine grid_mech_spectral_polarisation_init
call HDF5_read(fileHandle,F_tau, 'F_tau')
call HDF5_read(fileHandle,F_tau_lastInc,'F_tau_lastInc')
elseif (restartInc == 0) then restart
elseif (interface_restartInc == 0) then restartRead
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid3) ! initialize to identity
F = reshape(F_lastInc,[9,grid(1),grid(2),grid3])
F_tau = 2.0_pReal*F
F_tau_lastInc = 2.0_pReal*F_lastInc
endif restart
endif restartRead
materialpoint_F0 = reshape(F_lastInc, [3,3,1,product(grid(1:2))*grid3]) ! set starting condition for materialpoint_stressAndItsTangent
call Utilities_updateIPcoords(reshape(F,shape(F_lastInc)))
@ -189,15 +190,16 @@ subroutine grid_mech_spectral_polarisation_init
math_I3) ! no rotation of boundary condition
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr) ! deassociate pointer
restartRead: if (restartInc > 0) then
write(6,'(/,a,'//IO_intOut(restartInc)//',a)') ' reading more values of increment ', restartInc, ' from file'
restartRead2: if (interface_restartInc > 0) then
write(6,'(/,a,'//IO_intOut(interface_restartInc)//',a)') &
' reading more values of increment ', interface_restartInc, ' from file'
call HDF5_read(fileHandle,C_volAvg, 'C_volAvg')
call HDF5_read(fileHandle,C_volAvgLastInc,'C_volAvgLastInc')
call HDF5_closeFile(fileHandle)
fileUnit = IO_open_jobFile_binary('C_ref')
read(fileUnit) C_minMaxAvg; close(fileUnit)
endif restartRead
endif restartRead2
call utilities_updateGamma(C_minMaxAvg,.true.)
C_scale = C_minMaxAvg

2
src/grid/spectral_utilities.f90
View File

@ -98,7 +98,7 @@ module spectral_utilities
real(pReal) :: time = 0.0_pReal !< length of increment
integer :: incs = 0, & !< number of increments
outputfrequency = 1, & !< frequency of result writes
restartfrequency = 0, & !< frequency of restart writes
restartfrequency = huge(0), & !< frequency of restart writes
logscale = 0 !< linear/logarithmic time inc flag
logical :: followFormerTrajectory = .true. !< follow trajectory of former loadcase
integer(kind(FIELD_UNDEFINED_ID)), allocatable :: ID(:)

48
src/homogenization.f90
View File

@ -164,7 +164,7 @@ subroutine homogenization_init
call IO_write_jobFile(FILEUNIT,'outputHomogenization')
do p = 1,size(config_homogenization)
if (any(material_homogenizationAt == p)) then
write(FILEUNIT,'(/,a,/)') '['//trim(homogenization_name(p))//']'
write(FILEUNIT,'(/,a,/)') '['//trim(config_name_homogenization(p))//']'
write(FILEUNIT,'(a)') '(type) n/a'
write(FILEUNIT,'(a,i4)') '(ngrains)'//char(9),homogenization_Ngrains(p)
@ -326,11 +326,11 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e);
do g = 1,myNgrains
plasticState (phaseAt(g,i,e))%partionedState0(:,phasememberAt(g,i,e)) = &
plasticState (phaseAt(g,i,e))%state0( :,phasememberAt(g,i,e))
do mySource = 1, phase_Nsources(phaseAt(g,i,e))
sourceState(phaseAt(g,i,e))%p(mySource)%partionedState0(:,phasememberAt(g,i,e)) = &
sourceState(phaseAt(g,i,e))%p(mySource)%state0( :,phasememberAt(g,i,e))
plasticState (material_phaseAt(g,e))%partionedState0(:,material_phasememberAt(g,i,e)) = &
plasticState (material_phaseAt(g,e))%state0( :,material_phasememberAt(g,i,e))
do mySource = 1, phase_Nsources(material_phaseAt(g,e))
sourceState(material_phaseAt(g,e))%p(mySource)%partionedState0(:,material_phasememberAt(g,i,e)) = &
sourceState(material_phaseAt(g,e))%p(mySource)%state0( :,material_phasememberAt(g,i,e))
enddo
crystallite_partionedFp0(1:3,1:3,g,i,e) = crystallite_Fp0(1:3,1:3,g,i,e)
@ -412,11 +412,11 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
crystallite_S (1:3,1:3,1:myNgrains,i,e)
do g = 1,myNgrains
plasticState (phaseAt(g,i,e))%partionedState0(:,phasememberAt(g,i,e)) = &
plasticState (phaseAt(g,i,e))%state (:,phasememberAt(g,i,e))
do mySource = 1, phase_Nsources(phaseAt(g,i,e))
sourceState(phaseAt(g,i,e))%p(mySource)%partionedState0(:,phasememberAt(g,i,e)) = &
sourceState(phaseAt(g,i,e))%p(mySource)%state (:,phasememberAt(g,i,e))
plasticState (material_phaseAt(g,e))%partionedState0(:,material_phasememberAt(g,i,e)) = &
plasticState (material_phaseAt(g,e))%state (:,material_phasememberAt(g,i,e))
do mySource = 1, phase_Nsources(material_phaseAt(g,e))
sourceState(material_phaseAt(g,e))%p(mySource)%partionedState0(:,material_phasememberAt(g,i,e)) = &
sourceState(material_phaseAt(g,e))%p(mySource)%state (:,material_phasememberAt(g,i,e))
enddo
enddo
@ -475,11 +475,11 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
crystallite_S(1:3,1:3,1:myNgrains,i,e) = &
crystallite_partionedS0(1:3,1:3,1:myNgrains,i,e)
do g = 1, myNgrains
plasticState (phaseAt(g,i,e))%state( :,phasememberAt(g,i,e)) = &
plasticState (phaseAt(g,i,e))%partionedState0(:,phasememberAt(g,i,e))
do mySource = 1, phase_Nsources(phaseAt(g,i,e))
sourceState(phaseAt(g,i,e))%p(mySource)%state( :,phasememberAt(g,i,e)) = &
sourceState(phaseAt(g,i,e))%p(mySource)%partionedState0(:,phasememberAt(g,i,e))
plasticState (material_phaseAt(g,e))%state( :,material_phasememberAt(g,i,e)) = &
plasticState (material_phaseAt(g,e))%partionedState0(:,material_phasememberAt(g,i,e))
do mySource = 1, phase_Nsources(material_phaseAt(g,e))
sourceState(material_phaseAt(g,e))%p(mySource)%state( :,material_phasememberAt(g,i,e)) = &
sourceState(material_phaseAt(g,e))%p(mySource)%partionedState0(:,material_phasememberAt(g,i,e))
enddo
enddo
if(homogState(material_homogenizationAt(e))%sizeState > 0) &
@ -605,14 +605,13 @@ subroutine materialpoint_postResults
IpLooping: do i = FEsolving_execIP(1,e),FEsolving_execIP(2,e)
thePos = 0
theSize = homogState (material_homogenizationAt(e))%sizePostResults &
+ thermalState (material_homogenizationAt(e))%sizePostResults &
theSize = thermalState (material_homogenizationAt(e))%sizePostResults &
+ damageState (material_homogenizationAt(e))%sizePostResults
materialpoint_results(thePos+1,i,e) = real(theSize,pReal) ! tell size of homogenization results
thePos = thePos + 1
if (theSize > 0) then ! any homogenization results to mention?
materialpoint_results(thePos+1:thePos+theSize,i,e) = postResults(i,e) ! tell homogenization results
materialpoint_results(thePos+1:thePos+theSize,i,e) = postResults(i,e)
thePos = thePos + theSize
endif
@ -621,8 +620,8 @@ subroutine materialpoint_postResults
grainLooping :do g = 1,myNgrains
theSize = 1 + crystallite_sizePostResults(myCrystallite) + &
1 + plasticState (material_phase(g,i,e))%sizePostResults + & !ToDo
sum(sourceState(material_phase(g,i,e))%p(:)%sizePostResults)
1 + plasticState (material_phaseAt(g,e))%sizePostResults + &
sum(sourceState(material_phaseAt(g,e))%p(:)%sizePostResults)
materialpoint_results(thePos+1:thePos+theSize,i,e) = crystallite_postResults(g,i,e) ! tell crystallite results
thePos = thePos + theSize
enddo grainLooping
@ -753,8 +752,7 @@ function postResults(ip,el)
integer, intent(in) :: &
ip, & !< integration point
el !< element number
real(pReal), dimension( homogState (material_homogenizationAt(el))%sizePostResults &
+ thermalState (material_homogenizationAt(el))%sizePostResults &
real(pReal), dimension( thermalState (material_homogenizationAt(el))%sizePostResults &
+ damageState (material_homogenizationAt(el))%sizePostResults) :: &
postResults
integer :: &
@ -797,8 +795,6 @@ end function postResults
!--------------------------------------------------------------------------------------------------
subroutine homogenization_results
#if defined(PETSc) || defined(DAMASK_HDF5)
use config, only: &
config_name_homogenization => homogenization_name ! anticipate logical name
use material, only: &
material_homogenization_type => homogenization_type
@ -819,8 +815,6 @@ subroutine homogenization_results
enddo
#endif
end subroutine homogenization_results
end module homogenization

54
src/homogenization_mech_RGC.f90
View File

@ -364,8 +364,7 @@ module procedure mech_RGC_updateState
residMax = maxval(abs(tract)) ! get the maximum of the residual
#ifdef DEBUG
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 &
.and. prm%of_debug == of) then
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 .and. prm%of_debug == of) then
stresLoc = maxloc(abs(P))
residLoc = maxloc(abs(tract))
write(6,'(1x,a)')' '
@ -385,9 +384,8 @@ module procedure mech_RGC_updateState
if (residMax < relTol_RGC*stresMax .or. residMax < absTol_RGC) then
mech_RGC_updateState = .true.
#ifdef DEBUG
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 &
.and. prm%of_debug == of) write(6,'(1x,a55,/)')'... done and happy'
flush(6)
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 .and. prm%of_debug == of) &
write(6,'(1x,a55,/)')'... done and happy'; flush(6)
#endif
!--------------------------------------------------------------------------------------------------
@ -406,8 +404,7 @@ module procedure mech_RGC_updateState
dst%relaxationRate_max(of) = maxval(abs(drelax))/dt
#ifdef DEBUG
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 &
.and. prm%of_debug == of) then
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 .and. prm%of_debug == of) then
write(6,'(1x,a30,1x,e15.8)') 'Constitutive work: ',stt%work(of)
write(6,'(1x,a30,3(1x,e15.8))')'Magnitude mismatch: ',dst%mismatch(1,of), &
dst%mismatch(2,of), &
@ -428,18 +425,16 @@ module procedure mech_RGC_updateState
mech_RGC_updateState = [.true.,.false.] ! with direct cut-back
#ifdef DEBUG
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 &
.and. prm%of_debug == of) write(6,'(1x,a,/)') '... broken'
flush(6)
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 .and. prm%of_debug == of) &
write(6,'(1x,a,/)') '... broken'; flush(6)
#endif
return
else ! proceed with computing the Jacobian and state update
#ifdef DEBUG
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 &
.and. prm%of_debug == of) write(6,'(1x,a,/)') '... not yet done'
flush(6)
if (iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 .and. prm%of_debug == of) &
write(6,'(1x,a,/)') '... not yet done'; flush(6)
#endif
endif
@ -645,9 +640,9 @@ module procedure mech_RGC_updateState
end associate
contains
!--------------------------------------------------------------------------------------------------
!------------------------------------------------------------------------------------------------
!> @brief calculate stress-like penalty due to deformation mismatch
!--------------------------------------------------------------------------------------------------
!------------------------------------------------------------------------------------------------
subroutine stressPenalty(rPen,nMis,avgF,fDef,ip,el,instance,of)
real(pReal), dimension (:,:,:), intent(out) :: rPen !< stress-like penalty
@ -673,7 +668,7 @@ module procedure mech_RGC_updateState
rPen = 0.0_pReal
nMis = 0.0_pReal
!--------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------
! get the correction factor the modulus of penalty stress representing the evolution of area of
! the interfaces due to deformations
@ -682,8 +677,7 @@ module procedure mech_RGC_updateState
associate(prm => param(instance))
#ifdef DEBUG
debugActive = iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 &
.and. prm%of_debug == of
debugActive = iand(debug_level(debug_homogenization),debug_levelExtensive) /= 0 .and. prm%of_debug == of
if (debugActive) then
write(6,'(1x,a20,2(1x,i3))')'Correction factor: ',ip,el
@ -691,7 +685,7 @@ module procedure mech_RGC_updateState
endif
#endif
!--------------------------------------------------------------------------------------------------
!-----------------------------------------------------------------------------------------------
! computing the mismatch and penalty stress tensor of all grains
grainLoop: do iGrain = 1,product(prm%Nconstituents)
Gmoduli = equivalentModuli(iGrain,ip,el)
@ -713,7 +707,7 @@ module procedure mech_RGC_updateState
bgGNghb = Gmoduli(2)
gDef = 0.5_pReal*(fDef(1:3,1:3,iGNghb) - fDef(1:3,1:3,iGrain)) ! difference/jump in deformation gradeint across the neighbor
!--------------------------------------------------------------------------------------------------
!-------------------------------------------------------------------------------------------
! compute the mismatch tensor of all interfaces
nDefNorm = 0.0_pReal
nDef = 0.0_pReal
@ -733,7 +727,7 @@ module procedure mech_RGC_updateState
endif
#endif
!--------------------------------------------------------------------------------------------------
!-------------------------------------------------------------------------------------------
! compute the stress penalty of all interfaces
do i = 1,3; do j = 1,3; do k = 1,3; do l = 1,3
rPen(i,j,iGrain) = rPen(i,j,iGrain) + 0.5_pReal*(muGrain*bgGrain + muGNghb*bgGNghb)*prm%xiAlpha &
@ -757,9 +751,9 @@ module procedure mech_RGC_updateState
end subroutine stressPenalty
!--------------------------------------------------------------------------------------------------
!------------------------------------------------------------------------------------------------
!> @brief calculate stress-like penalty due to volume discrepancy
!--------------------------------------------------------------------------------------------------
!------------------------------------------------------------------------------------------------
subroutine volumePenalty(vPen,vDiscrep,fAvg,fDef,nGrain,instance,of)
real(pReal), dimension (:,:,:), intent(out) :: vPen ! stress-like penalty due to volume
@ -775,7 +769,7 @@ module procedure mech_RGC_updateState
real(pReal), dimension(size(vPen,3)) :: gVol
integer :: i
!--------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------
! compute the volumes of grains and of cluster
vDiscrep = math_det33(fAvg) ! compute the volume of the cluster
do i = 1,nGrain
@ -784,7 +778,7 @@ module procedure mech_RGC_updateState
! the volume of the cluster and the the total volume of grains
enddo
!--------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------
! calculate the stress and penalty due to volume discrepancy
vPen = 0.0_pReal
do i = 1,nGrain
@ -855,7 +849,7 @@ module procedure mech_RGC_updateState
elasTens = constitutive_homogenizedC(grainID,ip,el)
!--------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------
! compute the equivalent shear modulus after Turterltaub and Suiker, JMPS (2005)
cEquiv_11 = (elasTens(1,1) + elasTens(2,2) + elasTens(3,3))/3.0_pReal
cEquiv_12 = (elasTens(1,2) + elasTens(2,3) + elasTens(3,1) + &
@ -863,7 +857,7 @@ module procedure mech_RGC_updateState
cEquiv_44 = (elasTens(4,4) + elasTens(5,5) + elasTens(6,6))/3.0_pReal
equivalentModuli(1) = 0.2_pReal*(cEquiv_11 - cEquiv_12) + 0.6_pReal*cEquiv_44
!--------------------------------------------------------------------------------------------------
!----------------------------------------------------------------------------------------------
! obtain the length of Burgers vector (could be model dependend)
equivalentModuli(2) = 2.5e-10_pReal
@ -933,7 +927,6 @@ end subroutine mech_RGC_averageStressAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file
! ToDo: check wheter units are correct
!--------------------------------------------------------------------------------------------------
module subroutine mech_RGC_results(instance,group)
#if defined(PETSc) || defined(DAMASK_HDF5)
@ -990,8 +983,6 @@ pure function relaxationVector(intFace,instance,of)
integer :: iNum
!--------------------------------------------------------------------------------------------------
! collect the interface relaxation vector from the global state array
@ -1040,9 +1031,8 @@ pure function getInterface(iFace,iGrain3)
integer, dimension(3), intent(in) :: iGrain3 !< grain ID in 3D array
integer, intent(in) :: iFace !< face index (1..6) mapped like (-e1,-e2,-e3,+e1,+e2,+e3) or iDir = (-1,-2,-3,1,2,3)
integer :: iDir
integer :: iDir !< direction of interface normal
!* Direction of interface normal
iDir = (int(real(iFace-1,pReal)/2.0_pReal)+1)*(-1)**iFace
getInterface(1) = iDir

2
src/kinematics_cleavage_opening.f90
View File

@ -138,7 +138,7 @@ subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc, i
traction_d, traction_t, traction_n, traction_crit, &
udotd, dudotd_dt, udott, dudott_dt, udotn, dudotn_dt
phase = material_phase(ipc,ip,el)
phase = material_phaseAt(ipc,el)
instance = kinematics_cleavage_opening_instance(phase)
homog = material_homogenizationAt(el)
damageOffset = damageMapping(homog)%p(ip,el)

2
src/kinematics_slipplane_opening.f90
View File

@ -124,7 +124,7 @@ subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ipc,
traction_d, traction_t, traction_n, traction_crit, &
udotd, dudotd_dt, udott, dudott_dt, udotn, dudotn_dt
phase = material_phase(ipc,ip,el)
phase = material_phaseAt(ipc,el)
instance = kinematics_slipplane_opening_instance(phase)
homog = material_homogenizationAt(el)
damageOffset = damageMapping(homog)%p(ip,el)

2
src/kinematics_thermal_expansion.f90
View File

@ -112,7 +112,7 @@ subroutine kinematics_thermal_expansion_LiAndItsTangent(Li, dLi_dTstar, ipc, ip,
real(pReal) :: &
T, TRef, TDot
phase = material_phase(ipc,ip,el)
phase = material_phaseAt(ipc,el)
homog = material_homogenizationAt(el)
offset = thermalMapping(homog)%p(ip,el)
T = temperature(homog)%p(offset)

127
src/material.f90
View File

@ -98,6 +98,10 @@ module material
integer(kind(DAMAGE_none_ID)), dimension(:), allocatable, public, protected :: &
damage_type !< nonlocal damage model
integer, public, protected :: &
material_Nphase, & !< number of phases
material_Nhomogenization !< number of homogenizations
integer(kind(SOURCE_undefined_ID)), dimension(:,:), allocatable, public, protected :: &
phase_source, & !< active sources mechanisms of each phase
phase_kinematics, & !< active kinematic mechanisms of each phase
@ -139,10 +143,6 @@ module material
material_phaseMemberAt !< position of the element within its phase instance
! END NEW MAPPINGS
! DEPRECATED: use material_phaseAt
integer, dimension(:,:,:), allocatable, public :: &
material_phase !< phase (index) of each grain,IP,element
type(tPlasticState), allocatable, dimension(:), public :: &
plasticState
type(tSourceState), allocatable, dimension(:), public :: &
@ -180,9 +180,6 @@ module material
homogenization_active
! BEGIN DEPRECATED
integer, dimension(:,:,:), allocatable, public :: phaseAt !< phase ID of every material point (ipc,ip,el)
integer, dimension(:,:,:), allocatable, public :: phasememberAt !< memberID of given phase at every material point (ipc,ip,el)
integer, dimension(:,:,:), allocatable, public, target :: mappingHomogenization !< mapping from material points to offset in heterogenous state/field
integer, dimension(:,:), allocatable, private, target :: mappingHomogenizationConst !< mapping from material points to offset in constant state/field
! END DEPRECATED
@ -233,25 +230,18 @@ module material
material_parseMicrostructure, &
material_parseCrystallite, &
material_parsePhase, &
material_parseTexture, &
material_populateGrains
material_parseTexture
contains
!--------------------------------------------------------------------------------------------------
!> @brief parses material configuration file
!> @details figures out if solverJobName.materialConfig is present, if not looks for
!> material.config
!--------------------------------------------------------------------------------------------------
subroutine material_init
integer, parameter :: FILEUNIT = 210
integer :: m,c,h, myDebug, myPhase, myHomog
integer :: &
g, & !< grain number
i, & !< integration point number
e !< element number
integer :: i,e,m,c,h, myDebug, myPhase, myHomog, myMicro
integer, dimension(:), allocatable :: &
CounterPhase, &
CounterHomogenization
@ -275,23 +265,27 @@ subroutine material_init
call material_parseTexture()
if (iand(myDebug,debug_levelBasic) /= 0) write(6,'(a)') ' Texture parsed'; flush(6)
allocate(plasticState (size(config_phase)))
allocate(sourceState (size(config_phase)))
do myPhase = 1,size(config_phase)
material_Nphase = size(config_phase)
material_Nhomogenization = size(config_homogenization)
allocate(plasticState(material_Nphase))
allocate(sourceState (material_Nphase))
do myPhase = 1,material_Nphase
allocate(sourceState(myPhase)%p(phase_Nsources(myPhase)))
enddo
allocate(homogState (size(config_homogenization)))
allocate(thermalState (size(config_homogenization)))
allocate(damageState (size(config_homogenization)))
allocate(homogState (material_Nhomogenization))
allocate(thermalState (material_Nhomogenization))
allocate(damageState (material_Nhomogenization))
allocate(thermalMapping (size(config_homogenization)))
allocate(damageMapping (size(config_homogenization)))
allocate(thermalMapping (material_Nhomogenization))
allocate(damageMapping (material_Nhomogenization))
allocate(temperature (size(config_homogenization)))
allocate(damage (size(config_homogenization)))
allocate(temperature (material_Nhomogenization))
allocate(damage (material_Nhomogenization))
allocate(temperatureRate (size(config_homogenization)))
allocate(temperatureRate (material_Nhomogenization))
do m = 1,size(config_microstructure)
if(microstructure_crystallite(m) < 1 .or. &
@ -311,17 +305,17 @@ subroutine material_init
write(6,'(/,a,/)') ' MATERIAL configuration'
write(6,'(a32,1x,a16,1x,a6)') 'homogenization ','type ','grains'
do h = 1,size(config_homogenization)
write(6,'(1x,a32,1x,a16,1x,i6)') homogenization_name(h),homogenization_type(h),homogenization_Ngrains(h)
write(6,'(1x,a32,1x,a16,1x,i6)') config_name_homogenization(h),homogenization_type(h),homogenization_Ngrains(h)
enddo
write(6,'(/,a14,18x,1x,a11,1x,a12,1x,a13)') 'microstructure','crystallite','constituents'
do m = 1,size(config_microstructure)
write(6,'(1x,a32,1x,i11,1x,i12)') microstructure_name(m), &
write(6,'(1x,a32,1x,i11,1x,i12)') config_name_microstructure(m), &
microstructure_crystallite(m), &
microstructure_Nconstituents(m)
if (microstructure_Nconstituents(m) > 0) then
do c = 1,microstructure_Nconstituents(m)
write(6,'(a1,1x,a32,1x,a32,1x,f7.4)') '>',phase_name(microstructure_phase(c,m)),&
texture_name(microstructure_texture(c,m)),&
write(6,'(a1,1x,a32,1x,a32,1x,f7.4)') '>',config_name_phase(microstructure_phase(c,m)),&
config_name_texture(microstructure_texture(c,m)),&
microstructure_fraction(c,m)
enddo
write(6,*)
@ -329,10 +323,27 @@ subroutine material_init
enddo
endif debugOut
call material_populateGrains
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! new mappings
allocate(material_phaseAt(homogenization_maxNgrains,discretization_nElem), source=0)
allocate(material_texture(homogenization_maxNgrains,discretization_nIP,discretization_nElem), source=0) !this is only needed by plasticity nonlocal
allocate(material_EulerAngles(3,homogenization_maxNgrains,discretization_nIP,discretization_nElem),source=0.0_pReal)
do e = 1, discretization_nElem
do i = 1, discretization_nIP
myMicro = discretization_microstructureAt(e)
do c = 1, homogenization_Ngrains(discretization_homogenizationAt(e))
material_phaseAt(c,e) = microstructure_phase(c,myMicro)
material_texture(c,i,e) = microstructure_texture(c,myMicro)
material_EulerAngles(1:3,c,i,e) = texture_Gauss(1:3,material_texture(c,i,e)) ! this is a copy of crystallite_orientation0
enddo
enddo
enddo
deallocate(microstructure_phase)
deallocate(microstructure_texture)
allocate(material_homogenizationAt,source=discretization_homogenizationAt)
allocate(material_homogenizationMemberAt(discretization_nIP,discretization_nElem),source=0)
@ -345,8 +356,6 @@ subroutine material_init
enddo
enddo
allocate(material_phaseAt(homogenization_maxNgrains,discretization_nElem), source=material_phase(:,1,:))
allocate(material_phaseMemberAt(homogenization_maxNgrains,discretization_nIP,discretization_nElem),source=0)
allocate(CounterPhase(size(config_phase)),source=0)
@ -365,8 +374,8 @@ subroutine material_init
#if defined(PETSc) || defined(DAMASK_HDF5)
call results_openJobFile
call results_mapping_constituent(material_phaseAt,material_phaseMemberAt,phase_name)
call results_mapping_materialpoint(material_homogenizationAt,material_homogenizationMemberAt,homogenization_name)
call results_mapping_constituent(material_phaseAt,material_phaseMemberAt,config_name_phase)
call results_mapping_materialpoint(material_homogenizationAt,material_homogenizationMemberAt,config_name_homogenization)
call results_closeJobFile
#endif
@ -375,26 +384,15 @@ subroutine material_init
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! BEGIN DEPRECATED
allocate(phaseAt ( homogenization_maxNgrains,discretization_nIP,discretization_nElem),source=0)
allocate(phasememberAt ( homogenization_maxNgrains,discretization_nIP,discretization_nElem),source=0)
allocate(mappingHomogenization (2, discretization_nIP,discretization_nElem),source=0)
allocate(mappingHomogenizationConst( discretization_nIP,discretization_nElem),source=1)
CounterHomogenization=0
CounterPhase =0
do e = 1,discretization_nElem
myHomog = discretization_homogenizationAt(e)
do i = 1, discretization_nIP
CounterHomogenization(myHomog) = CounterHomogenization(myHomog) + 1
mappingHomogenization(1:2,i,e) = [CounterHomogenization(myHomog),huge(1)]
do g = 1,homogenization_Ngrains(myHomog)
myPhase = material_phase(g,i,e)
CounterPhase(myPhase) = CounterPhase(myPhase)+1 ! not distinguishing between instances of same phase
phaseAt(g,i,e) = myPhase
phasememberAt(g,i,e) = CounterPhase(myPhase)
enddo
enddo
enddo
! END DEPRECATED
@ -555,7 +553,7 @@ subroutine material_parseMicrostructure
enddo
enddo
if (dNeq(sum(microstructure_fraction(:,m)),1.0_pReal)) call IO_error(153,ext_msg=microstructure_name(m))
if (dNeq(sum(microstructure_fraction(:,m)),1.0_pReal)) call IO_error(153,ext_msg=config_name_microstructure(m))
enddo
@ -852,35 +850,4 @@ subroutine material_allocateSourceState(phase,of,NofMyPhase,&
end subroutine material_allocateSourceState
!--------------------------------------------------------------------------------------------------
!> @brief populates the grains
!> @details populates the grains by identifying active microstructure/homogenization pairs,
!! calculates the volume of the grains and deals with texture components
!--------------------------------------------------------------------------------------------------
subroutine material_populateGrains
integer :: e,i,c,homog,micro
allocate(material_phase(homogenization_maxNgrains,discretization_nIP,discretization_nElem), source=0)
allocate(material_texture(homogenization_maxNgrains,discretization_nIP,discretization_nElem), source=0)
allocate(material_EulerAngles(3,homogenization_maxNgrains,discretization_nIP,discretization_nElem),source=0.0_pReal)
do e = 1, discretization_nElem
do i = 1, discretization_nIP
homog = discretization_homogenizationAt(e)
micro = discretization_microstructureAt(e)
do c = 1, homogenization_Ngrains(homog)
material_phase(c,i,e) = microstructure_phase(c,micro)
material_texture(c,i,e) = microstructure_texture(c,micro)
material_EulerAngles(1:3,c,i,e) = texture_Gauss(1:3,material_texture(c,i,e))
enddo
enddo
enddo
deallocate(microstructure_phase)
deallocate(microstructure_texture)
end subroutine material_populateGrains
end module material

2
src/mesh/DAMASK_FEM.f90
View File

@ -291,7 +291,7 @@ program DAMASK_FEM
endif
timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
skipping: if (totalIncsCounter <= restartInc) then ! not yet at restart inc?
skipping: if (totalIncsCounter <= interface_restartInc) then ! not yet at restart inc?
time = time + timeinc ! just advance time, skip already performed calculation
guess = .true.
else skipping

30
src/mesh_FEM.f90
View File

@ -8,11 +8,10 @@ module mesh
#include <petsc/finclude/petscdmplex.h>
#include <petsc/finclude/petscis.h>
#include <petsc/finclude/petscdmda.h>
use prec
use mesh_base
use PETScdmplex
use PETScdmda
use PETScis
use DAMASK_interface
use IO
use debug
@ -20,6 +19,8 @@ module mesh
use numerics
use FEsolving
use FEM_Zoo
use prec
use mesh_base
implicit none
private
@ -35,13 +36,13 @@ module mesh
mesh_maxNips !< max number of IPs in any CP element
!!!! BEGIN DEPRECATED !!!!!
integer, dimension(:,:), allocatable, public, protected :: &
integer, dimension(:,:), allocatable :: &
mesh_element !DEPRECATED
real(pReal), dimension(:,:), allocatable, public :: &
real(pReal), dimension(:,:), allocatable :: &
mesh_node !< node x,y,z coordinates (after deformation! ONLY FOR MARC!!!)
real(pReal), dimension(:,:), allocatable, public, protected :: &
real(pReal), dimension(:,:), allocatable :: &
mesh_ipVolume, & !< volume associated with IP (initially!)
mesh_node0 !< node x,y,z coordinates (initially!)
@ -176,15 +177,13 @@ subroutine mesh_init
endif
enddo
close (FILEUNIT)
endif
if (worldsize > 1) then
call DMPlexDistribute(globalMesh,0,sf,geomMesh,ierr)
CHKERRQ(ierr)
else
call DMClone(globalMesh,geomMesh,ierr)
CHKERRQ(ierr)
else
call DMPlexDistribute(globalMesh,0,sf,geomMesh,ierr)
CHKERRQ(ierr)
endif
call DMDestroy(globalMesh,ierr); CHKERRQ(ierr)
call DMGetStratumSize(geomMesh,'depth',dimPlex,mesh_NcpElems,ierr)
@ -281,15 +280,6 @@ end subroutine mesh_FEM_build_ipVolumes
!--------------------------------------------------------------------------------------------------
!> @brief Calculates IP Coordinates. Allocates global array 'mesh_ipCoordinates'
! Called by all solvers in mesh_init in order to initialize the ip coordinates.
! Later on the current ip coordinates are directly prvided by the spectral solver and by Abaqus,
! so no need to use this subroutine anymore; Marc however only provides nodal displacements,
! so in this case the ip coordinates are always calculated on the basis of this subroutine.
! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! FOR THE MOMENT THIS SUBROUTINE ACTUALLY CALCULATES THE CELL CENTER AND NOT THE IP COORDINATES,
! AS THE IP IS NOT (ALWAYS) LOCATED IN THE CENTER OF THE IP VOLUME.
! HAS TO BE CHANGED IN A LATER VERSION.
! !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
!--------------------------------------------------------------------------------------------------
subroutine mesh_FEM_build_ipCoordinates(dimPlex,qPoints)

4
src/mesh_marc.f90
View File

@ -497,7 +497,7 @@ subroutine mesh_marc_map_elements(tableStyle,nameElemSet,mapElemSet,nElems,fileF
mesh_mapFEtoCPelem(2,cpElem) = cpElem
enddo
call math_sort(mesh_mapFEtoCPelem,1,size(mesh_mapFEtoCPelem,2))
call math_sort(mesh_mapFEtoCPelem)
end subroutine mesh_marc_map_elements
@ -532,7 +532,7 @@ subroutine mesh_marc_map_nodes(nNodes,fileUnit)
endif
enddo
620 call math_sort(mesh_mapFEtoCPnode,1,size(mesh_mapFEtoCPnode,2))
620 call math_sort(mesh_mapFEtoCPnode)
end subroutine mesh_marc_map_nodes

3
src/plastic_disloUCLA.f90
View File

@ -13,6 +13,7 @@ module plastic_disloUCLA
use material
use config
use lattice
use discretization
use results
implicit none
@ -295,7 +296,7 @@ subroutine plastic_disloUCLA_init()
!--------------------------------------------------------------------------------------------------
! allocate state arrays
NipcMyPhase = count(material_phase == p)
NipcMyPhase = count(material_phaseAt == p) * discretization_nIP
sizeDotState = size(['rho_mob ','rho_dip ','gamma_sl']) * prm%sum_N_sl
sizeState = sizeDotState

132
src/plastic_dislotwin.f90
View File

@ -15,9 +15,8 @@ module plastic_dislotwin
use material
use config
use lattice
#if defined(PETSc) || defined(DAMASK_HDF5)
use discretization
use results
#endif
implicit none
private
@ -139,14 +138,14 @@ module plastic_dislotwin
type :: tDislotwinMicrostructure
real(pReal), dimension(:,:), allocatable :: &
Lambda_sl, & !* mean free path between 2 obstacles seen by a moving dislocation
Lambda_tw, & !* mean free path between 2 obstacles seen by a growing twin
Lambda_tr, &!* mean free path between 2 obstacles seen by a growing martensite
Lambda_sl, & !< mean free path between 2 obstacles seen by a moving dislocation
Lambda_tw, & !< mean free path between 2 obstacles seen by a growing twin
Lambda_tr, & !< mean free path between 2 obstacles seen by a growing martensite
tau_pass, &
tau_hat_tw, &
tau_hat_tr, &
f_tw, &
f_tr, &
V_tw, & !< volume of a new twin
V_tr, & !< volume of a new martensite disc
tau_r_tw, & !< stress to bring partials close together (twin)
tau_r_tr !< stress to bring partials close together (trans)
end type tDislotwinMicrostructure
@ -339,9 +338,11 @@ subroutine plastic_dislotwin_init
prm%r = math_expand(prm%r,prm%N_tw)
else
allocate(prm%gamma_char(0))
allocate(prm%t_tw (0))
allocate(prm%b_tw (0))
allocate(prm%r (0))
allocate(prm%h_tw_tw (0,0))
endif
!--------------------------------------------------------------------------------------------------
@ -385,6 +386,8 @@ subroutine plastic_dislotwin_init
else
allocate(prm%t_tr (0))
allocate(prm%b_tr (0))
allocate(prm%s (0))
allocate(prm%h_tr_tr(0,0))
endif
if (sum(prm%N_tw) > 0 .or. prm%sum_N_tr > 0) then
@ -452,42 +455,33 @@ subroutine plastic_dislotwin_init
do i= 1, size(outputs)
outputID = undefined_ID
select case(outputs(i))
case ('edge_density')
case ('rho_mob')
outputID = merge(rho_mob_ID,undefined_ID,prm%sum_N_sl > 0)
outputSize = prm%sum_N_sl
case ('dipole_density')
case ('rho_dip')
outputID = merge(rho_dip_ID,undefined_ID,prm%sum_N_sl > 0)
outputSize = prm%sum_N_sl
case ('shear_rate_slip','shearrate_slip')
outputID = merge(dot_gamma_sl_ID,undefined_ID,prm%sum_N_sl > 0)
outputSize = prm%sum_N_sl
case ('accumulated_shear_slip')
case ('gamma_sl')
outputID = merge(gamma_sl_ID,undefined_ID,prm%sum_N_sl > 0)
outputSize = prm%sum_N_sl
case ('mfp_slip')
case ('lambda_sl')
outputID = merge(Lambda_sl_ID,undefined_ID,prm%sum_N_sl > 0)
outputSize = prm%sum_N_sl
case ('resolved_stress_slip')
outputID = merge(resolved_stress_slip_ID,undefined_ID,prm%sum_N_sl > 0)
outputSize = prm%sum_N_sl
case ('threshold_stress_slip')
case ('tau_pass')
outputID= merge(threshold_stress_slip_ID,undefined_ID,prm%sum_N_sl > 0)
outputSize = prm%sum_N_sl
case ('twin_fraction')
case ('f_tw')
outputID = merge(f_tw_ID,undefined_ID,prm%sum_N_tw >0)
outputSize = prm%sum_N_tw
case ('mfp_twin')
case ('lambda_tw')
outputID = merge(Lambda_tw_ID,undefined_ID,prm%sum_N_tw >0)
outputSize = prm%sum_N_tw
case ('resolved_stress_twin')
outputID = merge(resolved_stress_twin_ID,undefined_ID,prm%sum_N_tw >0)
outputSize = prm%sum_N_tw
case ('threshold_stress_twin')
case ('tau_hat_tw')
outputID = merge(tau_hat_tw_ID,undefined_ID,prm%sum_N_tw >0)
outputSize = prm%sum_N_tw
case ('strain_trans_fraction')
case ('f_tr')
outputID = f_tr_ID
outputSize = prm%sum_N_tr
@ -503,7 +497,7 @@ subroutine plastic_dislotwin_init
!--------------------------------------------------------------------------------------------------
! allocate state arrays
NipcMyPhase = count(material_phase == p)
NipcMyPhase = count(material_phaseAt == p) * discretization_nIP
sizeDotState = size(['rho_mob ','rho_dip ','gamma_sl']) * prm%sum_N_sl &
+ size(['f_tw']) * prm%sum_N_tw &
+ size(['f_tr']) * prm%sum_N_tr
@ -557,12 +551,12 @@ subroutine plastic_dislotwin_init
allocate(dst%Lambda_tw (prm%sum_N_tw,NipcMyPhase),source=0.0_pReal)
allocate(dst%tau_hat_tw (prm%sum_N_tw,NipcMyPhase),source=0.0_pReal)
allocate(dst%tau_r_tw (prm%sum_N_tw,NipcMyPhase),source=0.0_pReal)
allocate(dst%f_tw (prm%sum_N_tw, NipcMyPhase),source=0.0_pReal)
allocate(dst%V_tw (prm%sum_N_tw,NipcMyPhase),source=0.0_pReal)
allocate(dst%Lambda_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal)
allocate(dst%tau_hat_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal)
allocate(dst%tau_r_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal)
allocate(dst%f_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal)
allocate(dst%V_tr (prm%sum_N_tr,NipcMyPhase),source=0.0_pReal)
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
@ -590,9 +584,9 @@ function plastic_dislotwin_homogenizedC(ipc,ip,el) result(homogenizedC)
of
real(pReal) :: f_unrotated
of = phasememberAt(ipc,ip,el)
associate(prm => param(phase_plasticityInstance(material_phase(ipc,ip,el))),&
stt => state(phase_plasticityInstance(material_phase(ipc,ip,el))))
of = material_phasememberAt(ipc,ip,el)
associate(prm => param(phase_plasticityInstance(material_phaseAt(ipc,el))),&
stt => state(phase_plasticityInstance(material_phaseAT(ipc,el))))
f_unrotated = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,of)) &
@ -742,9 +736,11 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
of
integer :: i
real(pReal) :: f_unrotated,&
real(pReal) :: &
f_unrotated, &
VacancyDiffusion, &
rho_dip_distance, ClimbVelocity, &
rho_dip_distance, &
v_cl, &
tau
real(pReal), dimension(param(instance)%sum_N_sl) :: &
dot_rho_dip_formation, &
@ -757,7 +753,7 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
dot_gamma_tr
associate(prm => param(instance), stt => state(instance), &
dot => dotstate(instance), dst => dependentState(instance))
dot => dotState(instance), dst => dependentState(instance))
f_unrotated = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,of)) &
@ -790,9 +786,9 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
if (dEq0(rho_dip_distance-rho_dip_distance_min(i))) then
dot_rho_dip_climb(i) = 0.0_pReal
else
ClimbVelocity = 3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume(i) &
v_cl = 3.0_pReal*prm%mu*VacancyDiffusion*prm%atomicVolume(i) &
/ (2.0_pReal*PI*kB*T*(rho_dip_distance+rho_dip_distance_min(i)))
dot_rho_dip_climb(i) = 4.0_pReal*ClimbVelocity*stt%rho_dip(i,of) &
dot_rho_dip_climb(i) = 4.0_pReal*v_cl*stt%rho_dip(i,of) &
/ (rho_dip_distance-rho_dip_distance_min(i))
endif
endif significantSlipStress
@ -811,7 +807,7 @@ subroutine plastic_dislotwin_dotState(Mp,T,instance,of)
dot%f_tw(:,of) = f_unrotated*dot_gamma_twin/prm%gamma_char
call kinetics_trans(Mp,T,dot_gamma_sl,instance,of,dot_gamma_tr)
dot%f_tw(:,of) = f_unrotated*dot_gamma_tr
dot%f_tr(:,of) = f_unrotated*dot_gamma_tr
end associate
@ -838,14 +834,13 @@ subroutine plastic_dislotwin_dependentState(T,instance,of)
inv_lambda_sl_tw, & !< 1/mean free distance between 2 twin stacks from different systems seen by a moving dislocation
inv_lambda_sl_tr !< 1/mean free distance between 2 martensite lamellar from different systems seen by a moving dislocation
real(pReal), dimension(param(instance)%sum_N_tw) :: &
inv_lambda_tw_tw !< 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
inv_lambda_tw_tw, & !< 1/mean free distance between 2 twin stacks from different systems seen by a growing twin
f_over_t_tw
real(pReal), dimension(param(instance)%sum_N_tr) :: &
inv_lambda_tr_tr !< 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite
real(pReal), dimension(:), allocatable :: &
x0, &
f_over_t_tw, &
inv_lambda_tr_tr, & !< 1/mean free distance between 2 martensite stacks from different systems seen by a growing martensite
f_over_t_tr
real(pReal), dimension(:), allocatable :: &
x0
associate(prm => param(instance),&
@ -858,9 +853,9 @@ subroutine plastic_dislotwin_dependentState(T,instance,of)
SFE = prm%SFE_0K + prm%dSFE_dT * T
!* rescaled volume fraction for topology
f_over_t_tw = stt%f_tw(1:prm%sum_N_tw,of)/prm%t_tw !ToDo: this is per system
f_over_t_tr = sumf_trans/prm%t_tr !ToDo: But this not ...
!Todo: Physically ok, but naming could be adjusted
f_over_t_tw = stt%f_tw(1:prm%sum_N_tw,of)/prm%t_tw ! this is per system ...
f_over_t_tr = sumf_trans/prm%t_tr ! but this not
! ToDo ...Physically correct, but naming could be adjusted
forall (i = 1:prm%sum_N_sl) &
@ -872,26 +867,18 @@ subroutine plastic_dislotwin_dependentState(T,instance,of)
if (prm%sum_N_tw > 0 .and. prm%sum_N_sl > 0) &
inv_lambda_sl_tw = matmul(prm%h_sl_tw,f_over_t_tw)/(1.0_pReal-sumf_twin)
!ToDo: needed? if (prm%sum_N_tw > 0) &
inv_lambda_tw_tw = matmul(prm%h_tw_tw,f_over_t_tw)/(1.0_pReal-sumf_twin)
if (prm%sum_N_tr > 0 .and. prm%sum_N_sl > 0) &
inv_lambda_sl_tr = matmul(prm%h_sl_tr,f_over_t_tr)/(1.0_pReal-sumf_trans)
!ToDo: needed? if (prm%sum_N_tr > 0) &
inv_lambda_tr_tr = matmul(prm%h_tr_tr,f_over_t_tr)/(1.0_pReal-sumf_trans)
if ((prm%sum_N_tw > 0) .or. (prm%sum_N_tr > 0)) then ! ToDo: Change order
dst%Lambda_sl(:,of) = &
prm%D/(1.0_pReal+prm%D*&
(inv_lambda_sl_sl + inv_lambda_sl_tw + inv_lambda_sl_tr))
if ((prm%sum_N_tw > 0) .or. (prm%sum_N_tr > 0)) then ! ToDo: better logic needed here
dst%Lambda_sl(:,of) = prm%D &
/ (1.0_pReal+prm%D*(inv_lambda_sl_sl + inv_lambda_sl_tw + inv_lambda_sl_tr))
else
dst%Lambda_sl(:,of) = prm%D &
/ (1.0_pReal+prm%D*inv_lambda_sl_sl) !!!!!! correct?
@ -906,16 +893,16 @@ subroutine plastic_dislotwin_dependentState(T,instance,of)
!* threshold stress for growing twin/martensite
if(prm%sum_N_tw == prm%sum_N_sl) &
dst%tau_hat_tw(:,of) = &
(SFE/(3.0_pReal*prm%b_tw)+ 3.0_pReal*prm%b_tw*prm%mu/(prm%L_tw*prm%b_sl)) ! slip burgers here correct?
dst%tau_hat_tw(:,of) = SFE/(3.0_pReal*prm%b_tw) &
+ 3.0_pReal*prm%b_tw*prm%mu/(prm%L_tw*prm%b_sl) ! slip burgers here correct?
if(prm%sum_N_tr == prm%sum_N_sl) &
dst%tau_hat_tr(:,of) = &
(SFE/(3.0_pReal*prm%b_tr) + 3.0_pReal*prm%b_tr*prm%mu/&
(prm%L_tr*prm%b_sl) + prm%h*prm%gamma_fcc_hex/ (3.0_pReal*prm%b_tr) )
dst%tau_hat_tr(:,of) = SFE/(3.0_pReal*prm%b_tr) &
+ 3.0_pReal*prm%b_tr*prm%mu/(prm%L_tr*prm%b_sl) & ! slip burgers here correct?
+ prm%h*prm%gamma_fcc_hex/ (3.0_pReal*prm%b_tr)
dst%f_tw(:,of) = (PI/4.0_pReal)*prm%t_tw*dst%Lambda_tw(:,of)**2.0_pReal
dst%f_tr(:,of) = (PI/4.0_pReal)*prm%t_tr*dst%Lambda_tr(:,of)**2.0_pReal
dst%V_tw(:,of) = (PI/4.0_pReal)*prm%t_tw*dst%Lambda_tw(:,of)**2.0_pReal
dst%V_tr(:,of) = (PI/4.0_pReal)*prm%t_tr*dst%Lambda_tr(:,of)**2.0_pReal
x0 = prm%mu*prm%b_tw**2.0_pReal/(SFE*8.0_pReal*PI)*(2.0_pReal+prm%nu)/(1.0_pReal-prm%nu) ! ToDo: In the paper, this is the burgers vector for slip and is the same for twin and trans
@ -1174,12 +1161,11 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
isFCC: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau(i) < dst%tau_r_tw(i,of)) then
if (tau(i) < dst%tau_r_tw(i,of)) then ! ToDo: correct?
Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,of)+stt%rho_dip(s2,of))+&
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,of)+stt%rho_dip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state
(prm%L_tw*prm%b_sl(i))*&
(1.0_pReal-exp(-prm%V_cs/(kB*T)*&
(dst%tau_r_tw(i,of)-tau)))
(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tw(i,of)-tau(i)))) ! P_ncs
else
Ndot0=0.0_pReal
end if
@ -1190,7 +1176,7 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,of,&
significantStress: where(tau > tol_math_check)
StressRatio_r = (dst%tau_hat_tw(:,of)/tau)**prm%r
dot_gamma_twin = prm%gamma_char * dst%f_tw(:,of) * Ndot0*exp(-StressRatio_r)
dot_gamma_twin = prm%gamma_char * dst%V_tw(:,of) * Ndot0*exp(-StressRatio_r)
ddot_gamma_dtau = (dot_gamma_twin*prm%r/tau)*StressRatio_r
else where significantStress
dot_gamma_twin = 0.0_pReal
@ -1232,7 +1218,6 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
ddot_gamma_dtau
integer :: i,s1,s2
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
do i = 1, prm%sum_N_tr
@ -1240,12 +1225,11 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
isFCC: if (prm%fccTwinTransNucleation) then
s1=prm%fcc_twinNucleationSlipPair(1,i)
s2=prm%fcc_twinNucleationSlipPair(2,i)
if (tau(i) < dst%tau_r_tr(i,of)) then
if (tau(i) < dst%tau_r_tr(i,of)) then ! ToDo: correct?
Ndot0=(abs(dot_gamma_sl(s1))*(stt%rho_mob(s2,of)+stt%rho_dip(s2,of))+&
abs(dot_gamma_sl(s2))*(stt%rho_mob(s1,of)+stt%rho_dip(s1,of)))/& ! ToDo: MD: it would be more consistent to use shearrates from state
(prm%L_tr*prm%b_sl(i))*&
(1.0_pReal-exp(-prm%V_cs/(kB*T)*&
(dst%tau_r_tr(i,of)-tau)))
(1.0_pReal-exp(-prm%V_cs/(kB*T)*(dst%tau_r_tr(i,of)-tau(i)))) ! P_ncs
else
Ndot0=0.0_pReal
end if
@ -1256,8 +1240,8 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,of,&
significantStress: where(tau > tol_math_check)
StressRatio_s = (dst%tau_hat_tr(:,of)/tau)**prm%s
dot_gamma_tr = dst%f_tr(:,of) * Ndot0*exp(-StressRatio_s)
ddot_gamma_dtau = (dot_gamma_tr*prm%r/tau)*StressRatio_s
dot_gamma_tr = dst%V_tr(:,of) * Ndot0*exp(-StressRatio_s)
ddot_gamma_dtau = (dot_gamma_tr*prm%s/tau)*StressRatio_s
else where significantStress
dot_gamma_tr = 0.0_pReal
ddot_gamma_dtau = 0.0_pReal

9
src/plastic_isotropic.f90
View File

@ -14,9 +14,8 @@ module plastic_isotropic
use IO
use material
use config
#if defined(PETSc) || defined(DAMASK_HDF5)
use discretization
use results
#endif
implicit none
private
@ -127,8 +126,8 @@ subroutine plastic_isotropic_init
config => config_phase(p))
#ifdef DEBUG
if (p==material_phase(debug_g,debug_i,debug_e)) &
prm%of_debug = phasememberAt(debug_g,debug_i,debug_e)
if (p==material_phaseAt(debug_g,debug_e)) &
prm%of_debug = material_phasememberAt(debug_g,debug_i,debug_e)
#endif
prm%xi_0 = config%getFloat('tau0')
@ -190,7 +189,7 @@ subroutine plastic_isotropic_init
!--------------------------------------------------------------------------------------------------
! allocate state arrays
NipcMyPhase = count(material_phase == p)
NipcMyPhase = count(material_phaseAt == p) * discretization_nIP
sizeDotState = size(['xi ','accumulated_shear'])
sizeState = sizeDotState

9
src/plastic_kinematichardening.f90
View File

@ -13,9 +13,8 @@ module plastic_kinehardening
use material
use config
use lattice
#if defined(PETSc) || defined(DAMASK_HDF5)
use discretization
use results
#endif
implicit none
private
@ -146,8 +145,8 @@ subroutine plastic_kinehardening_init
config => config_phase(p))
#ifdef DEBUG
if (p==material_phase(debug_g,debug_i,debug_e)) then
prm%of_debug = phasememberAt(debug_g,debug_i,debug_e)
if (p==material_phaseAt(debug_g,debug_e)) then
prm%of_debug = material_phasememberAt(debug_g,debug_i,debug_e)
endif
#endif
@ -257,7 +256,7 @@ subroutine plastic_kinehardening_init
!--------------------------------------------------------------------------------------------------
! allocate state arrays
NipcMyPhase = count(material_phase == p)
NipcMyPhase = count(material_phaseAt == p) * discretization_nIP
sizeDotState = size(['crss ','crss_back', 'accshear ']) * prm%totalNslip
sizeDeltaState = size(['sense ', 'chi0 ', 'gamma0' ]) * prm%totalNslip
sizeState = sizeDotState + sizeDeltaState

3
src/plastic_none.f90
View File

@ -6,6 +6,7 @@
!--------------------------------------------------------------------------------------------------
module plastic_none
use material
use discretization
use debug
implicit none
@ -36,7 +37,7 @@ subroutine plastic_none_init
do p = 1, size(phase_plasticity)
if (phase_plasticity(p) /= PLASTICITY_NONE_ID) cycle
NipcMyPhase = count(material_phase == p)
NipcMyPhase = count(material_phaseAt == p) * discretization_nIP
call material_allocatePlasticState(p,NipcMyPhase,0,0,0, &
0,0,0)
plasticState(p)%sizePostResults = 0

94
src/plastic_nonlocal.f90
View File

@ -556,7 +556,7 @@ subroutine plastic_nonlocal_init
!--------------------------------------------------------------------------------------------------
! allocate state arrays
NofMyPhase=count(material_phase==p)
NofMyPhase = count(material_phaseAt==p) * discretization_nIP
sizeDotState = size([ 'rhoSglEdgePosMobile ','rhoSglEdgeNegMobile ', &
'rhoSglScrewPosMobile ','rhoSglScrewNegMobile ', &
'rhoSglEdgePosImmobile ','rhoSglEdgeNegImmobile ', &
@ -677,7 +677,7 @@ subroutine plastic_nonlocal_init
allocate(iD(maxval(totalNslip),2,maxNinstances), source=0)
initializeInstances: do p = 1, size(phase_plasticity)
NofMyPhase=count(material_phase==p)
NofMyPhase = count(material_phaseAt==p) * discretization_nIP
myPhase2: if (phase_plasticity(p) == PLASTICITY_NONLOCAL_ID) then
!*** determine indices to state array
@ -766,7 +766,7 @@ subroutine plastic_nonlocal_init
! get the total volume of the instance
do e = 1,discretization_nElem
do i = 1,discretization_nIP
if (material_phase(1,i,e) == phase) volume(phasememberAt(1,i,e)) = IPvolume(i,e)
if (material_phaseAt(1,e) == phase) volume(material_phasememberAt(1,i,e)) = IPvolume(i,e)
enddo
enddo
totalVolume = sum(volume)
@ -854,29 +854,29 @@ subroutine plastic_nonlocal_dependentState(Fe, Fp, ip, el)
invConnections
real(pReal), dimension(3,nIPneighbors) :: &
connection_latticeConf
real(pReal), dimension(2,totalNslip(phase_plasticityInstance(material_phase(1,ip,el)))) :: &
real(pReal), dimension(2,totalNslip(phase_plasticityInstance(material_phaseAt(1,el)))) :: &
rhoExcess
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el)))) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el)))) :: &
rho_edg_delta, &
rho_scr_delta
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el))),10) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),10) :: &
rho, &
rho_neighbor
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el))), &
totalNslip(phase_plasticityInstance(material_phase(1,ip,el)))) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el))), &
totalNslip(phase_plasticityInstance(material_phaseAt(1,el)))) :: &
myInteractionMatrix ! corrected slip interaction matrix
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el))),nIPneighbors) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),nIPneighbors) :: &
rho_edg_delta_neighbor, &
rho_scr_delta_neighbor
real(pReal), dimension(2,maxval(totalNslip),nIPneighbors) :: &
neighbor_rhoExcess, & ! excess density at neighboring material point
neighbor_rhoTotal ! total density at neighboring material point
real(pReal), dimension(3,totalNslip(phase_plasticityInstance(material_phase(1,ip,el))),2) :: &
real(pReal), dimension(3,totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),2) :: &
m ! direction of dislocation motion
ph = phaseAt(1,ip,el)
of = phasememberAt(1,ip,el)
ph = material_phaseAt(1,el)
of = material_phasememberAt(1,ip,el)
instance = phase_plasticityInstance(ph)
associate(prm => param(instance),dst => microstructure(instance), stt => state(instance))
@ -935,9 +935,9 @@ subroutine plastic_nonlocal_dependentState(Fe, Fp, ip, el)
do n = 1,nIPneighbors
neighbor_el = IPneighborhood(1,n,ip,el)
neighbor_ip = IPneighborhood(2,n,ip,el)
no = phasememberAt(1,neighbor_ip,neighbor_el)
no = material_phasememberAt(1,neighbor_ip,neighbor_el)
if (neighbor_el > 0 .and. neighbor_ip > 0) then
neighbor_instance = phase_plasticityInstance(material_phase(1,neighbor_ip,neighbor_el))
neighbor_instance = phase_plasticityInstance(material_phaseAt(1,neighbor_el))
if (neighbor_instance == instance) then
nRealNeighbors = nRealNeighbors + 1.0_pReal
@ -1202,22 +1202,22 @@ subroutine plastic_nonlocal_LpAndItsTangent(Lp, dLp_dMp, &
of, & !offset
t, & !< dislocation type
s !< index of my current slip system
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el))),8) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),8) :: &
rhoSgl !< single dislocation densities (including blocked)
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el))),10) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),10) :: &
rho
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el))),4) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),4) :: &
v, & !< velocity
tauNS, & !< resolved shear stress including non Schmid and backstress terms
dv_dtau, & !< velocity derivative with respect to the shear stress
dv_dtauNS !< velocity derivative with respect to the shear stress
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el)))) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el)))) :: &
tau, & !< resolved shear stress including backstress terms
gdotTotal !< shear rate
!*** shortcut for mapping
ph = phaseAt(1,ip,el)
of = phasememberAt(1,ip,el)
ph = material_phaseAt(1,el)
of = material_phasememberAt(1,ip,el)
instance = phase_plasticityInstance(ph)
associate(prm => param(instance),dst=>microstructure(instance))
@ -1323,23 +1323,23 @@ subroutine plastic_nonlocal_deltaState(Mp,ip,el)
c, & ! character of dislocation
t, & ! type of dislocation
s ! index of my current slip system
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el))),10) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),10) :: &
deltaRhoRemobilization, & ! density increment by remobilization
deltaRhoDipole2SingleStress ! density increment by dipole dissociation (by stress change)
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el))),10) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),10) :: &
rho ! current dislocation densities
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el))),4) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),4) :: &
v ! dislocation glide velocity
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el)))) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el)))) :: &
tau ! current resolved shear stress
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el))),2) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),2) :: &
rhoDip, & ! current dipole dislocation densities (screw and edge dipoles)
dUpper, & ! current maximum stable dipole distance for edges and screws
dUpperOld, & ! old maximum stable dipole distance for edges and screws
deltaDUpper ! change in maximum stable dipole distance for edges and screws
ph = phaseAt(1,ip,el)
of = phasememberAt(1,ip,el)
ph = material_phaseAt(1,el)
of = material_phasememberAt(1,ip,el)
instance = phase_plasticityInstance(ph)
associate(prm => param(instance),dst => microstructure(instance),del => deltaState(instance))
@ -1459,7 +1459,7 @@ subroutine plastic_nonlocal_dotState(Mp, Fe, Fp, Temperature, &
np,& !< neighbour phase shortcut
topp, & !< type of dislocation with opposite sign to t
s !< index of my current slip system
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el))),10) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),10) :: &
rho, &
rhoDot, & !< density evolution
rhoDotMultiplication, & !< density evolution by multiplication
@ -1467,24 +1467,24 @@ subroutine plastic_nonlocal_dotState(Mp, Fe, Fp, Temperature, &
rhoDotSingle2DipoleGlide, & !< density evolution by dipole formation (by glide)
rhoDotAthermalAnnihilation, & !< density evolution by athermal annihilation
rhoDotThermalAnnihilation !< density evolution by thermal annihilation
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el))),8) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),8) :: &
rhoSgl, & !< current single dislocation densities (positive/negative screw and edge without dipoles)
neighbor_rhoSgl, & !< current single dislocation densities of neighboring ip (positive/negative screw and edge without dipoles)
my_rhoSgl !< single dislocation densities of central ip (positive/negative screw and edge without dipoles)
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el))),4) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),4) :: &
v, & !< current dislocation glide velocity
my_v, & !< dislocation glide velocity of central ip
neighbor_v, & !< dislocation glide velocity of enighboring ip
gdot !< shear rates
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el)))) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el)))) :: &
tau, & !< current resolved shear stress
vClimb !< climb velocity of edge dipoles
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phase(1,ip,el))),2) :: &
real(pReal), dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),2) :: &
rhoDip, & !< current dipole dislocation densities (screw and edge dipoles)
dLower, & !< minimum stable dipole distance for edges and screws
dUpper !< current maximum stable dipole distance for edges and screws
real(pReal), dimension(3,totalNslip(phase_plasticityInstance(material_phase(1,ip,el))),4) :: &
real(pReal), dimension(3,totalNslip(phase_plasticityInstance(material_phaseAt(1,el))),4) :: &
m !< direction of dislocation motion
real(pReal), dimension(3,3) :: &
my_F, & !< my total deformation gradient
@ -1507,15 +1507,15 @@ subroutine plastic_nonlocal_dotState(Mp, Fe, Fp, Temperature, &
considerEnteringFlux, &
considerLeavingFlux
p = phaseAt(1,ip,el)
o = phasememberAt(1,ip,el)
p = material_phaseAt(1,el)
o = material_phasememberAt(1,ip,el)
if (timestep <= 0.0_pReal) then
plasticState(p)%dotState = 0.0_pReal
return
endif
ph = material_phase(1,ip,el)
ph = material_phaseAt(1,el)
instance = phase_plasticityInstance(ph)
associate(prm => param(instance),dst => microstructure(instance),dot => dotState(instance),stt => state(instance))
ns = totalNslip(instance)
@ -1592,7 +1592,7 @@ subroutine plastic_nonlocal_dotState(Mp, Fe, Fp, Temperature, &
!****************************************************************************
!*** calculate dislocation fluxes (only for nonlocal plasticity)
rhoDotFlux = 0.0_pReal
if (.not. phase_localPlasticity(material_phase(1,ip,el))) then
if (.not. phase_localPlasticity(material_phaseAt(1,el))) then
!*** check CFL (Courant-Friedrichs-Lewy) condition for flux
if (any( abs(gdot) > 0.0_pReal & ! any active slip system ...
@ -1630,8 +1630,8 @@ subroutine plastic_nonlocal_dotState(Mp, Fe, Fp, Temperature, &
neighbor_el = IPneighborhood(1,n,ip,el)
neighbor_ip = IPneighborhood(2,n,ip,el)
neighbor_n = IPneighborhood(3,n,ip,el)
np = phaseAt(1,neighbor_ip,neighbor_el)
no = phasememberAt(1,neighbor_ip,neighbor_el)
np = material_phaseAt(1,neighbor_el)
no = material_phasememberAt(1,neighbor_ip,neighbor_el)
opposite_neighbor = n + mod(n,2) - mod(n+1,2)
opposite_el = IPneighborhood(1,opposite_neighbor,ip,el)
@ -1639,7 +1639,7 @@ subroutine plastic_nonlocal_dotState(Mp, Fe, Fp, Temperature, &
opposite_n = IPneighborhood(3,opposite_neighbor,ip,el)
if (neighbor_n > 0) then ! if neighbor exists, average deformation gradient
neighbor_instance = phase_plasticityInstance(material_phase(1,neighbor_ip,neighbor_el))
neighbor_instance = phase_plasticityInstance(material_phaseAt(1,neighbor_el))
neighbor_Fe = Fe(1:3,1:3,1,neighbor_ip,neighbor_el)
neighbor_F = matmul(neighbor_Fe, Fp(1:3,1:3,1,neighbor_ip,neighbor_el))
Favg = 0.5_pReal * (my_F + neighbor_F)
@ -1661,7 +1661,7 @@ subroutine plastic_nonlocal_dotState(Mp, Fe, Fp, Temperature, &
neighbor_v = 0.0_pReal ! needed for check of sign change in flux density below
neighbor_rhoSgl = 0.0_pReal
if (neighbor_n > 0) then
if (phase_plasticity(material_phase(1,neighbor_ip,neighbor_el)) == PLASTICITY_NONLOCAL_ID &
if (phase_plasticity(material_phaseAt(1,neighbor_el)) == PLASTICITY_NONLOCAL_ID &
.and. any(compatibility(:,:,:,n,ip,el) > 0.0_pReal)) &
considerEnteringFlux = .true.
endif
@ -1714,7 +1714,7 @@ subroutine plastic_nonlocal_dotState(Mp, Fe, Fp, Temperature, &
considerLeavingFlux = .true.
if (opposite_n > 0) then
if (phase_plasticity(material_phase(1,opposite_ip,opposite_el)) /= PLASTICITY_NONLOCAL_ID) &
if (phase_plasticity(material_phaseAt(1,opposite_el)) /= PLASTICITY_NONLOCAL_ID) &
considerLeavingFlux = .false.
endif
@ -1905,20 +1905,20 @@ subroutine plastic_nonlocal_updateCompatibility(orientation,i,e)
s2 ! slip system index (my neighbor)
real(pReal), dimension(4) :: &
absoluteMisorientation ! absolute misorientation (without symmetry) between me and my neighbor
real(pReal), dimension(2,totalNslip(phase_plasticityInstance(material_phase(1,i,e))),&
totalNslip(phase_plasticityInstance(material_phase(1,i,e))),&
real(pReal), dimension(2,totalNslip(phase_plasticityInstance(material_phaseAt(1,e))),&
totalNslip(phase_plasticityInstance(material_phaseAt(1,e))),&
nIPneighbors) :: &
my_compatibility ! my_compatibility for current element and ip
real(pReal) :: &
my_compatibilitySum, &
thresholdValue, &
nThresholdValues
logical, dimension(totalNslip(phase_plasticityInstance(material_phase(1,i,e)))) :: &
logical, dimension(totalNslip(phase_plasticityInstance(material_phaseAt(1,e)))) :: &
belowThreshold
type(rotation) :: rot
Nneighbors = nIPneighbors
ph = material_phase(1,i,e)
ph = material_phaseAt(1,e)
textureID = material_texture(1,i,e)
instance = phase_plasticityInstance(ph)
ns = totalNslip(instance)
@ -1950,7 +1950,7 @@ subroutine plastic_nonlocal_updateCompatibility(orientation,i,e)
!* we consider this to be a real "physical" phase boundary, so completely incompatible.
!* If one of the two phases has a local plasticity law,
!* we do not consider this to be a phase boundary, so completely compatible.
neighbor_phase = material_phase(1,neighbor_i,neighbor_e)
neighbor_phase = material_phaseAt(1,neighbor_e)
if (neighbor_phase /= ph) then
if (.not. phase_localPlasticity(neighbor_phase) .and. .not. phase_localPlasticity(ph))&
forall(s1 = 1:ns) my_compatibility(1:2,s1,s1,n) = 0.0_pReal

5
src/plastic_phenopowerlaw.f90
View File

@ -12,9 +12,8 @@ module plastic_phenopowerlaw
use material
use config
use lattice
#if defined(PETSc) || defined(DAMASK_HDF5)
use discretization
use results
#endif
implicit none
private
@ -314,7 +313,7 @@ subroutine plastic_phenopowerlaw_init
!--------------------------------------------------------------------------------------------------
! allocate state arrays
NipcMyPhase = count(material_phase == p)
NipcMyPhase = count(material_phaseAt == p) * discretization_nIP
sizeDotState = size(['tau_slip ','gamma_slip']) * prm%totalNslip &
+ size(['tau_twin ','gamma_twin']) * prm%totalNtwin
sizeState = sizeDotState

9
src/quit.f90
View File

@ -7,16 +7,15 @@
!--------------------------------------------------------------------------------------------------
subroutine quit(stop_id)
#include <petsc/finclude/petscsys.h>
#ifdef _OPENMP
use MPI, only: &
MPI_finalize
#endif
use PetscSys
#ifdef _OPENMP
use MPI
#endif
use hdf5
implicit none
integer, intent(in) :: stop_id
integer, dimension(8) :: dateAndTime ! type default integer
integer, dimension(8) :: dateAndTime
integer :: error
PetscErrorCode :: ierr = 0

3
src/results.f90
View File

@ -17,8 +17,7 @@ module results
private
#if defined(PETSc) || defined(DAMASK_HDF5)
integer(HID_T), public, protected :: tempCoordinates, tempResults
integer(HID_T), private :: resultsFile, currentIncID, plist_id
integer(HID_T) :: resultsFile
interface results_writeDataset

7
src/source_damage_anisoBrittle.f90
View File

@ -10,6 +10,7 @@ module source_damage_anisoBrittle
use IO
use math
use material
use discretization
use config
use lattice
@ -164,7 +165,7 @@ subroutine source_damage_anisoBrittle_init
end associate
phase = p
NofMyPhase=count(material_phase==phase)
NofMyPhase=count(material_phaseAt==phase) * discretization_nIP
instance = source_damage_anisoBrittle_instance(phase)
sourceOffset = source_damage_anisoBrittle_offset(phase)
@ -202,8 +203,8 @@ subroutine source_damage_anisoBrittle_dotState(S, ipc, ip, el)
real(pReal) :: &
traction_d, traction_t, traction_n, traction_crit
phase = phaseAt(ipc,ip,el)
constituent = phasememberAt(ipc,ip,el)
phase = material_phaseAt(ipc,el)
constituent = material_phasememberAt(ipc,ip,el)
instance = source_damage_anisoBrittle_instance(phase)
sourceOffset = source_damage_anisoBrittle_offset(phase)
homog = material_homogenizationAt(el)

16
src/source_damage_anisoDuctile.f90
View File

@ -9,6 +9,7 @@ module source_damage_anisoDuctile
use debug
use IO
use math
use discretization
use material
use config
@ -127,8 +128,7 @@ subroutine source_damage_anisoDuctile_init
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') &
call IO_error(211,ext_msg=trim(extmsg)//'('//SOURCE_DAMAGE_ANISODUCTILE_LABEL//')')
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'('//SOURCE_DAMAGE_ANISODUCTILE_LABEL//')')
!--------------------------------------------------------------------------------------------------
! output pararameters
@ -151,7 +151,7 @@ subroutine source_damage_anisoDuctile_init
phase = p
NofMyPhase=count(material_phase==phase)
NofMyPhase=count(material_phaseAt==phase) * discretization_nIP
instance = source_damage_anisoDuctile_instance(phase)
sourceOffset = source_damage_anisoDuctile_offset(phase)
@ -163,6 +163,7 @@ subroutine source_damage_anisoDuctile_init
end subroutine source_damage_anisoDuctile_init
!--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state
!--------------------------------------------------------------------------------------------------
@ -178,10 +179,10 @@ subroutine source_damage_anisoDuctile_dotState(ipc, ip, el)
sourceOffset, &
homog, damageOffset, &
instance, &
f, i
i
phase = phaseAt(ipc,ip,el)
constituent = phasememberAt(ipc,ip,el)
phase = material_phaseAt(ipc,el)
constituent = material_phasememberAt(ipc,ip,el)
instance = source_damage_anisoDuctile_instance(phase)
sourceOffset = source_damage_anisoDuctile_offset(phase)
homog = material_homogenizationAt(el)
@ -197,6 +198,7 @@ subroutine source_damage_anisoDuctile_dotState(ipc, ip, el)
end subroutine source_damage_anisoDuctile_dotState
!--------------------------------------------------------------------------------------------------
!> @brief returns local part of nonlocal damage driving force
!--------------------------------------------------------------------------------------------------
@ -222,6 +224,7 @@ subroutine source_damage_anisoDuctile_getRateAndItsTangent(localphiDot, dLocalph
end subroutine source_damage_anisoDuctile_getRateAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief return array of local damage results
!--------------------------------------------------------------------------------------------------
@ -251,6 +254,7 @@ function source_damage_anisoDuctile_postResults(phase, constituent)
end select
enddo
end function source_damage_anisoDuctile_postResults
end module source_damage_anisoDuctile

7
src/source_damage_isoBrittle.f90
View File

@ -9,6 +9,7 @@ module source_damage_isoBrittle
use debug
use IO
use math
use discretization
use material
use config
@ -133,7 +134,7 @@ subroutine source_damage_isoBrittle_init
phase = p
NofMyPhase=count(material_phase==phase)
NofMyPhase = count(material_phaseAt==phase) * discretization_nIP
instance = source_damage_isoBrittle_instance(phase)
sourceOffset = source_damage_isoBrittle_offset(phase)
@ -164,8 +165,8 @@ subroutine source_damage_isoBrittle_deltaState(C, Fe, ipc, ip, el)
strain(6), &
strainenergy
phase = phaseAt(ipc,ip,el) !< phase ID at ipc,ip,el
constituent = phasememberAt(ipc,ip,el) !< state array offset for phase ID at ipc,ip,el
phase = material_phaseAt(ipc,el) !< phase ID at ipc,ip,el
constituent = material_phasememberAt(ipc,ip,el) !< state array offset for phase ID at ipc,ip,el
! ToDo: capability for multiple instances of SAME source within given phase. Needs Ninstance loop from here on!
instance = source_damage_isoBrittle_instance(phase) !< instance of damage_isoBrittle source
sourceOffset = source_damage_isoBrittle_offset(phase)

7
src/source_damage_isoDuctile.f90
View File

@ -8,6 +8,7 @@ module source_damage_isoDuctile
use prec
use debug
use IO
use discretization
use material
use config
@ -132,7 +133,7 @@ subroutine source_damage_isoDuctile_init
end associate
phase = p
NofMyPhase=count(material_phase==phase)
NofMyPhase=count(material_phaseAt==phase) * discretization_nIP
instance = source_damage_isoDuctile_instance(phase)
sourceOffset = source_damage_isoDuctile_offset(phase)
@ -157,8 +158,8 @@ subroutine source_damage_isoDuctile_dotState(ipc, ip, el)
integer :: &
phase, constituent, instance, homog, sourceOffset, damageOffset
phase = phaseAt(ipc,ip,el)
constituent = phasememberAt(ipc,ip,el)
phase = material_phaseAt(ipc,el)
constituent = material_phasememberAt(ipc,ip,el)
instance = source_damage_isoDuctile_instance(phase)
sourceOffset = source_damage_isoDuctile_offset(phase)
homog = material_homogenizationAt(el)

3
src/source_thermal_dissipation.f90
View File

@ -7,6 +7,7 @@
module source_thermal_dissipation
use prec
use debug
use discretization
use material
use config
@ -75,7 +76,7 @@ subroutine source_thermal_dissipation_init
if (all(phase_source(:,p) /= SOURCE_THERMAL_DISSIPATION_ID)) cycle
instance = source_thermal_dissipation_instance(p)
param(instance)%kappa = config_phase(p)%getFloat('dissipation_coldworkcoeff')
NofMyPhase=count(material_phase==p)
NofMyPhase = count(material_phaseAt==p) * discretization_nIP
sourceOffset = source_thermal_dissipation_offset(p)
call material_allocateSourceState(p,sourceOffset,NofMyPhase,0,0,0)

3
src/source_thermal_externalheat.f90
View File

@ -7,6 +7,7 @@
module source_thermal_externalheat
use prec
use debug
use discretization
use material
use config
@ -83,7 +84,7 @@ subroutine source_thermal_externalheat_init
if (all(phase_source(:,p) /= SOURCE_thermal_externalheat_ID)) cycle
instance = source_thermal_externalheat_instance(p)
sourceOffset = source_thermal_externalheat_offset(p)
NofMyPhase=count(material_phase==p)
NofMyPhase = count(material_phaseAt==p) * discretization_nIP
param(instance)%time = config_phase(p)%getFloats('externalheat_time')
param(instance)%nIntervals = size(param(instance)%time) - 1

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