Merge remote-tracking branch 'origin/development' into less-public-variables
This commit is contained in:
commit
bcccf06450
|
@ -104,7 +104,7 @@ checkout:
|
|||
- release
|
||||
|
||||
###################################################################################################
|
||||
Pytest:
|
||||
Pytest_python:
|
||||
stage: python
|
||||
script:
|
||||
- cd $DAMASKROOT/python
|
||||
|
@ -385,6 +385,15 @@ Phenopowerlaw_singleSlip:
|
|||
- master
|
||||
- release
|
||||
|
||||
Pytest_grid:
|
||||
stage: grid
|
||||
script:
|
||||
- cd pytest
|
||||
- pytest
|
||||
except:
|
||||
- master
|
||||
- release
|
||||
|
||||
###################################################################################################
|
||||
Marc_compileIfort:
|
||||
stage: compileMarc
|
||||
|
|
2
PRIVATE
2
PRIVATE
|
@ -1 +1 @@
|
|||
Subproject commit ec615d249d39e5d01446b01ab9a5b7e7601340ad
|
||||
Subproject commit 9573ce7bd2c1a7188c1aac5b83aa76d480c2bdb0
|
|
@ -1,49 +0,0 @@
|
|||
[Aluminum]
|
||||
elasticity hooke
|
||||
plasticity phenopowerlaw
|
||||
|
||||
(output) resistance_slip
|
||||
(output) shearrate_slip
|
||||
(output) resolvedstress_slip
|
||||
(output) accumulated_shear_slip
|
||||
(output) resistance_twin
|
||||
(output) shearrate_twin
|
||||
(output) resolvedstress_twin
|
||||
(output) accumulated_shear_twin
|
||||
|
||||
lattice_structure fcc
|
||||
Nslip 12 # per family
|
||||
Ntwin 0 # per family
|
||||
|
||||
c11 106.75e9
|
||||
c12 60.41e9
|
||||
c44 28.34e9
|
||||
|
||||
gdot0_slip 0.001
|
||||
n_slip 20
|
||||
tau0_slip 31e6 # per family
|
||||
tausat_slip 63e6 # per family
|
||||
a_slip 2.25
|
||||
gdot0_twin 0.001
|
||||
n_twin 20
|
||||
tau0_twin 31e6 # per family
|
||||
h0_slipslip 75e6
|
||||
interaction_slipslip 1 1 1.4 1.4 1.4 1.4
|
||||
atol_resistance 1
|
||||
|
||||
(stiffness_degradation) damage
|
||||
(stiffness_degradation) porosity
|
||||
{./Phase_Damage.config}
|
||||
{./Phase_Thermal.config}
|
||||
{./Phase_Vacancy.config}
|
||||
{./Phase_Porosity.config}
|
||||
{./Phase_Hydrogen.config}
|
||||
{./Source_Damage_IsoBrittle.config}
|
||||
{./Source_Thermal_Dissipation.config}
|
||||
{./Source_Vacancy_PhenoPlasticity.config}
|
||||
{./Source_Vacancy_Irradiation.config}
|
||||
{./Kinematics_Thermal_Expansion.config}
|
||||
{./Kinematics_Vacancy_Strain.config}
|
||||
{./Kinematics_Hydrogen_Strain.config}
|
||||
|
||||
|
|
@ -42,8 +42,8 @@ for name in filenames:
|
|||
|
||||
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
table.add('Cauchy',
|
||||
damask.mechanics.Cauchy(table.get(options.defgrad).reshape(-1,3,3),
|
||||
table.get(options.stress ).reshape(-1,3,3)).reshape(-1,9),
|
||||
damask.mechanics.Cauchy(table.get(options.stress ).reshape(-1,3,3),
|
||||
table.get(options.defgrad).reshape(-1,3,3)).reshape(-1,9),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
@ -43,8 +43,8 @@ for name in filenames:
|
|||
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
|
||||
table.add('S',
|
||||
damask.mechanics.PK2(table.get(options.defgrad).reshape(-1,3,3),
|
||||
table.get(options.stress ).reshape(-1,3,3)).reshape(-1,9),
|
||||
damask.mechanics.PK2(table.get(options.stress ).reshape(-1,3,3),
|
||||
table.get(options.defgrad).reshape(-1,3,3)).reshape(-1,9),
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
@ -2,6 +2,7 @@
|
|||
|
||||
import os
|
||||
import sys
|
||||
from io import StringIO
|
||||
from optparse import OptionParser
|
||||
|
||||
import numpy as np
|
||||
|
@ -33,69 +34,27 @@ parser.add_option('--no-check',
|
|||
|
||||
parser.set_defaults(rh = True,
|
||||
)
|
||||
|
||||
(options,filenames) = parser.parse_args()
|
||||
|
||||
if options.tensor is None:
|
||||
parser.error('no data column 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)
|
||||
|
||||
# ------------------------------------------ read header ------------------------------------------
|
||||
table = damask.Table.from_ASCII(StringIO(''.join(sys.stdin.read())) if name is None else name)
|
||||
|
||||
table.head_read()
|
||||
for tensor in options.tensor:
|
||||
|
||||
t = table.get(tensor).reshape(-1,3,3)
|
||||
(u,v) = np.linalg.eigh(damask.mechanics.symmetric(t))
|
||||
if options.rh: v[np.linalg.det(v) < 0.0,:,2] *= -1.0
|
||||
|
||||
# ------------------------------------------ assemble header 1 ------------------------------------
|
||||
for i,o in enumerate(['Min','Mid','Max']):
|
||||
table.add('eigval{}({})'.format(o,tensor),u[:,i],
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
items = {
|
||||
'tensor': {'dim': 9, 'shape': [3,3], 'labels':options.tensor, 'column': []},
|
||||
}
|
||||
errors = []
|
||||
remarks = []
|
||||
for i,o in enumerate(['Min','Mid','Max']):
|
||||
table.add('eigvec{}({})'.format(o,tensor),v[:,:,i],
|
||||
scriptID+' '+' '.join(sys.argv[1:]))
|
||||
|
||||
for type, data in items.items():
|
||||
for what in data['labels']:
|
||||
dim = table.label_dimension(what)
|
||||
if dim != data['dim']: remarks.append('column {} is not a {}...'.format(what,type))
|
||||
else:
|
||||
items[type]['column'].append(table.label_index(what))
|
||||
for order in ['Min','Mid','Max']:
|
||||
table.labels_append(['eigval{}({})'.format(order,what)]) # extend ASCII header with new labels
|
||||
for order in ['Min','Mid','Max']:
|
||||
table.labels_append(['{}_eigvec{}({})'.format(i+1,order,what) for i in range(3)]) # extend ASCII header with new labels
|
||||
|
||||
if remarks != []: damask.util.croak(remarks)
|
||||
if errors != []:
|
||||
damask.util.croak(errors)
|
||||
table.close(dismiss = True)
|
||||
continue
|
||||
|
||||
# ------------------------------------------ assemble header 2 ------------------------------------
|
||||
|
||||
table.info_append(scriptID + '\t' + ' '.join(sys.argv[1:]))
|
||||
table.head_write()
|
||||
|
||||
# ------------------------------------------ process data -----------------------------------------
|
||||
|
||||
outputAlive = True
|
||||
while outputAlive and table.data_read(): # read next data line of ASCII table
|
||||
for type, data in items.items():
|
||||
for column in data['column']:
|
||||
(u,v) = np.linalg.eigh(np.array(list(map(float,table.data[column:column+data['dim']]))).reshape(data['shape']))
|
||||
if options.rh and np.dot(np.cross(v[:,0], v[:,1]), v[:,2]) < 0.0 : v[:, 2] *= -1.0 # ensure right-handed eigenvector basis
|
||||
table.data_append(list(u)) # vector of max,mid,min eigval
|
||||
table.data_append(list(v.transpose().reshape(data['dim']))) # 3x3=9 combo vector of max,mid,min eigvec coordinates
|
||||
outputAlive = table.data_write() # output processed line in accordance with column labeling
|
||||
|
||||
# ------------------------------------------ output finalization -----------------------------------
|
||||
|
||||
table.close() # close input ASCII table (works for stdin)
|
||||
table.to_ASCII(sys.stdout if name is None else name)
|
||||
|
|
|
@ -83,7 +83,7 @@ for name in filenames:
|
|||
|
||||
# ------------------------------------------ assemble header ---------------------------------------
|
||||
|
||||
randomSeed = int(os.urandom(4).encode('hex'), 16) if options.randomSeed is None else options.randomSeed # random seed per file
|
||||
randomSeed = int(os.urandom(4).hex(), 16) if options.randomSeed is None else options.randomSeed # random seed per file
|
||||
np.random.seed(randomSeed)
|
||||
|
||||
table.info_append([scriptID + '\t' + ' '.join(sys.argv[1:]),
|
||||
|
|
|
@ -1,11 +1,9 @@
|
|||
#!/usr/bin/env python3
|
||||
# -*- coding: UTF-8 no BOM -*-
|
||||
|
||||
import threading,time,os,sys,random
|
||||
import numpy as np
|
||||
from optparse import OptionParser
|
||||
from io import StringIO
|
||||
import binascii
|
||||
import damask
|
||||
|
||||
scriptName = os.path.splitext(os.path.basename(__file__))[0]
|
||||
|
@ -16,9 +14,10 @@ currentSeedsName = None
|
|||
|
||||
#---------------------------------------------------------------------------------------------------
|
||||
class myThread (threading.Thread):
|
||||
"""perturbes seed in seed file, performes Voronoi tessellation, evaluates, and updates best match"""
|
||||
"""Perturb seed in seed file, performes Voronoi tessellation, evaluates, and updates best match."""
|
||||
|
||||
def __init__(self, threadID):
|
||||
"""Threading class with thread ID."""
|
||||
threading.Thread.__init__(self)
|
||||
self.threadID = threadID
|
||||
|
||||
|
@ -215,7 +214,7 @@ options = parser.parse_args()[0]
|
|||
damask.util.report(scriptName,options.seedFile)
|
||||
|
||||
if options.randomSeed is None:
|
||||
options.randomSeed = int(binascii.hexlify(os.urandom(4)),16)
|
||||
options.randomSeed = int(os.urandom(4).hex(),16)
|
||||
damask.util.croak(options.randomSeed)
|
||||
delta = (options.scale/options.grid[0],options.scale/options.grid[1],options.scale/options.grid[2])
|
||||
baseFile=os.path.splitext(os.path.basename(options.seedFile))[0]
|
||||
|
|
|
@ -15,6 +15,7 @@ from .config import Material # noqa
|
|||
from .colormaps import Colormap, Color # noqa
|
||||
from .orientation import Symmetry, Lattice, Rotation, Orientation # noqa
|
||||
from .dadf5 import DADF5 # noqa
|
||||
from .dadf5 import DADF5 as Result # noqa
|
||||
|
||||
from .geom import Geom # noqa
|
||||
from .solver import Solver # noqa
|
||||
|
|
File diff suppressed because it is too large
Load Diff
|
@ -8,7 +8,7 @@ class Environment():
|
|||
def __init__(self):
|
||||
"""Read and provide values of DAMASK configuration."""
|
||||
self.options = {}
|
||||
self.get_options()
|
||||
self.__get_options()
|
||||
|
||||
def relPath(self,relative = '.'):
|
||||
return os.path.join(self.rootDir(),relative)
|
||||
|
@ -16,7 +16,7 @@ class Environment():
|
|||
def rootDir(self):
|
||||
return os.path.normpath(os.path.join(os.path.realpath(__file__),'../../../'))
|
||||
|
||||
def get_options(self):
|
||||
def __get_options(self):
|
||||
for item in ['DAMASK_NUM_THREADS',
|
||||
'MSC_ROOT',
|
||||
'MARC_VERSION',
|
||||
|
|
|
@ -1,8 +1,8 @@
|
|||
import numpy as np
|
||||
|
||||
def Cauchy(F,P):
|
||||
def Cauchy(P,F):
|
||||
"""
|
||||
Return Cauchy stress calculated from 1. Piola-Kirchhoff stress and deformation gradient.
|
||||
Return Cauchy stress calculated from first Piola-Kirchhoff stress and deformation gradient.
|
||||
|
||||
Resulting tensor is symmetrized as the Cauchy stress needs to be symmetric.
|
||||
|
||||
|
@ -21,23 +21,179 @@ def Cauchy(F,P):
|
|||
return symmetric(sigma)
|
||||
|
||||
|
||||
def PK2(F,P):
|
||||
def deviatoric_part(x):
|
||||
"""
|
||||
Return 2. Piola-Kirchhoff stress calculated from 1. Piola-Kirchhoff stress and deformation gradient.
|
||||
Return deviatoric part of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the deviatoric part is computed.
|
||||
|
||||
"""
|
||||
return x - np.eye(3)*spherical_part(x) if np.shape(x) == (3,3) else \
|
||||
x - np.einsum('ijk,i->ijk',np.broadcast_to(np.eye(3),[x.shape[0],3,3]),spherical_part(x))
|
||||
|
||||
|
||||
def eigenvalues(x):
|
||||
"""
|
||||
Return the eigenvalues, i.e. principal components, of a symmetric tensor.
|
||||
|
||||
The eigenvalues are sorted in ascending order, each repeated according to
|
||||
its multiplicity.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Symmetric tensor of which the eigenvalues are computed.
|
||||
|
||||
"""
|
||||
return np.linalg.eigvalsh(symmetric(x))
|
||||
|
||||
|
||||
def eigenvectors(x,RHS=False):
|
||||
"""
|
||||
Return eigenvectors of a symmetric tensor.
|
||||
|
||||
The eigenvalues are sorted in ascending order of their associated eigenvalues.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Symmetric tensor of which the eigenvectors are computed.
|
||||
RHS: bool, optional
|
||||
Enforce right-handed coordinate system. Default is False.
|
||||
|
||||
"""
|
||||
(u,v) = np.linalg.eigh(symmetric(x))
|
||||
|
||||
if RHS:
|
||||
if np.shape(x) == (3,3):
|
||||
if np.linalg.det(v) < 0.0: v[:,2] *= -1.0
|
||||
else:
|
||||
v[np.linalg.det(v) < 0.0,:,2] *= -1.0
|
||||
return v
|
||||
|
||||
|
||||
def left_stretch(x):
|
||||
"""
|
||||
Return the left stretch of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the left stretch is computed.
|
||||
|
||||
"""
|
||||
return __polar_decomposition(x,'V')[0]
|
||||
|
||||
|
||||
def maximum_shear(x):
|
||||
"""
|
||||
Return the maximum shear component of a symmetric tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Symmetric tensor of which the maximum shear is computed.
|
||||
|
||||
"""
|
||||
w = eigenvalues(x)
|
||||
return (w[0] - w[2])*0.5 if np.shape(x) == (3,3) else \
|
||||
(w[:,0] - w[:,2])*0.5
|
||||
|
||||
|
||||
def Mises_strain(epsilon):
|
||||
"""
|
||||
Return the Mises equivalent of a strain tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
epsilon : numpy.array of shape (:,3,3) or (3,3)
|
||||
Symmetric strain tensor of which the von Mises equivalent is computed.
|
||||
|
||||
"""
|
||||
return __Mises(epsilon,2.0/3.0)
|
||||
|
||||
|
||||
def Mises_stress(sigma):
|
||||
"""
|
||||
Return the Mises equivalent of a stress tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
sigma : numpy.array of shape (:,3,3) or (3,3)
|
||||
Symmetric stress tensor of which the von Mises equivalent is computed.
|
||||
|
||||
"""
|
||||
return __Mises(sigma,3.0/2.0)
|
||||
|
||||
|
||||
def PK2(P,F):
|
||||
"""
|
||||
Calculate second Piola-Kirchhoff stress from first Piola-Kirchhoff stress and deformation gradient.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
F : numpy.array of shape (:,3,3) or (3,3)
|
||||
Deformation gradient.
|
||||
P : numpy.array of shape (:,3,3) or (3,3)
|
||||
1. Piola-Kirchhoff stress.
|
||||
F : numpy.array of shape (:,3,3) or (3,3)
|
||||
Deformation gradient.
|
||||
|
||||
"""
|
||||
if np.shape(F) == np.shape(P) == (3,3):
|
||||
S = np.dot(np.linalg.inv(F),P)
|
||||
else:
|
||||
S = np.einsum('ijk,ikl->ijl',np.linalg.inv(F),P)
|
||||
return S
|
||||
return symmetric(S)
|
||||
|
||||
def right_stretch(x):
|
||||
"""
|
||||
Return the right stretch of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the right stretch is computed.
|
||||
|
||||
"""
|
||||
return __polar_decomposition(x,'U')[0]
|
||||
|
||||
|
||||
def rotational_part(x):
|
||||
"""
|
||||
Return the rotational part of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the rotational part is computed.
|
||||
|
||||
"""
|
||||
return __polar_decomposition(x,'R')[0]
|
||||
|
||||
|
||||
def spherical_part(x,tensor=False):
|
||||
"""
|
||||
Return spherical (hydrostatic) part of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the hydrostatic part is computed.
|
||||
tensor : bool, optional
|
||||
Map spherical part onto identity tensor. Default is false
|
||||
|
||||
"""
|
||||
if x.shape == (3,3):
|
||||
sph = np.trace(x)/3.0
|
||||
return sph if not tensor else np.eye(3)*sph
|
||||
else:
|
||||
sph = np.trace(x,axis1=1,axis2=2)/3.0
|
||||
if not tensor:
|
||||
return sph
|
||||
else:
|
||||
return np.einsum('ijk,i->ijk',np.broadcast_to(np.eye(3),(x.shape[0],3,3)),sph)
|
||||
|
||||
|
||||
def strain_tensor(F,t,m):
|
||||
|
@ -78,73 +234,6 @@ def strain_tensor(F,t,m):
|
|||
eps
|
||||
|
||||
|
||||
def deviatoric_part(x):
|
||||
"""
|
||||
Return deviatoric part of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the deviatoric part is computed.
|
||||
|
||||
"""
|
||||
return x - np.eye(3)*spherical_part(x) if np.shape(x) == (3,3) else \
|
||||
x - np.einsum('ijk,i->ijk',np.broadcast_to(np.eye(3),[x.shape[0],3,3]),spherical_part(x))
|
||||
|
||||
|
||||
def spherical_part(x,tensor=False):
|
||||
"""
|
||||
Return spherical (hydrostatic) part of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the hydrostatic part is computed.
|
||||
tensor : bool, optional
|
||||
Map spherical part onto identity tensor. Default is false
|
||||
|
||||
"""
|
||||
if x.shape == (3,3):
|
||||
sph = np.trace(x)/3.0
|
||||
return sph if not tensor else np.eye(3)*sph
|
||||
else:
|
||||
sph = np.trace(x,axis1=1,axis2=2)/3.0
|
||||
if not tensor:
|
||||
return sph
|
||||
else:
|
||||
return np.einsum('ijk,i->ijk',np.broadcast_to(np.eye(3),(x.shape[0],3,3)),sph)
|
||||
|
||||
|
||||
def Mises_stress(sigma):
|
||||
"""
|
||||
Return the Mises equivalent of a stress tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
sigma : numpy.array of shape (:,3,3) or (3,3)
|
||||
Symmetric stress tensor of which the von Mises equivalent is computed.
|
||||
|
||||
"""
|
||||
s = deviatoric_part(sigma)
|
||||
return np.sqrt(3.0/2.0*(np.sum(s**2.0))) if np.shape(sigma) == (3,3) else \
|
||||
np.sqrt(3.0/2.0*np.einsum('ijk->i',s**2.0))
|
||||
|
||||
|
||||
def Mises_strain(epsilon):
|
||||
"""
|
||||
Return the Mises equivalent of a strain tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
epsilon : numpy.array of shape (:,3,3) or (3,3)
|
||||
Symmetric strain tensor of which the von Mises equivalent is computed.
|
||||
|
||||
"""
|
||||
s = deviatoric_part(epsilon)
|
||||
return np.sqrt(2.0/3.0*(np.sum(s**2.0))) if np.shape(epsilon) == (3,3) else \
|
||||
np.sqrt(2.0/3.0*np.einsum('ijk->i',s**2.0))
|
||||
|
||||
|
||||
def symmetric(x):
|
||||
"""
|
||||
Return the symmetrized tensor.
|
||||
|
@ -158,39 +247,6 @@ def symmetric(x):
|
|||
return (x+transpose(x))*0.5
|
||||
|
||||
|
||||
def maximum_shear(x):
|
||||
"""
|
||||
Return the maximum shear component of a symmetric tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Symmetric tensor of which the maximum shear is computed.
|
||||
|
||||
"""
|
||||
w = np.linalg.eigvalsh(symmetric(x)) # eigenvalues in ascending order
|
||||
return (w[2] - w[0])*0.5 if np.shape(x) == (3,3) else \
|
||||
(w[:,2] - w[:,0])*0.5
|
||||
|
||||
|
||||
def principal_components(x):
|
||||
"""
|
||||
Return the principal components of a symmetric tensor.
|
||||
|
||||
The principal components (eigenvalues) are sorted in descending order, each repeated according to
|
||||
its multiplicity.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Symmetric tensor of which the principal compontents are computed.
|
||||
|
||||
"""
|
||||
w = np.linalg.eigvalsh(symmetric(x)) # eigenvalues in ascending order
|
||||
return w[::-1] if np.shape(x) == (3,3) else \
|
||||
w[:,::-1]
|
||||
|
||||
|
||||
def transpose(x):
|
||||
"""
|
||||
Return the transpose of a tensor.
|
||||
|
@ -205,45 +261,6 @@ def transpose(x):
|
|||
np.transpose(x,(0,2,1))
|
||||
|
||||
|
||||
def rotational_part(x):
|
||||
"""
|
||||
Return the rotational part of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the rotational part is computed.
|
||||
|
||||
"""
|
||||
return __polar_decomposition(x,'R')[0]
|
||||
|
||||
|
||||
def left_stretch(x):
|
||||
"""
|
||||
Return the left stretch of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the left stretch is computed.
|
||||
|
||||
"""
|
||||
return __polar_decomposition(x,'V')[0]
|
||||
|
||||
|
||||
def right_stretch(x):
|
||||
"""
|
||||
Return the right stretch of a tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Tensor of which the right stretch is computed.
|
||||
|
||||
"""
|
||||
return __polar_decomposition(x,'U')[0]
|
||||
|
||||
|
||||
def __polar_decomposition(x,requested):
|
||||
"""
|
||||
Singular value decomposition.
|
||||
|
@ -270,3 +287,20 @@ def __polar_decomposition(x,requested):
|
|||
output.append(np.dot(R.T,x) if np.shape(x) == (3,3) else np.einsum('ikj,ikl->ijl',R,x))
|
||||
|
||||
return tuple(output)
|
||||
|
||||
|
||||
def __Mises(x,s):
|
||||
"""
|
||||
Base equation for Mises equivalent of a stres or strain tensor.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
x : numpy.array of shape (:,3,3) or (3,3)
|
||||
Symmetric tensor of which the von Mises equivalent is computed.
|
||||
s : float
|
||||
Scaling factor (2/3 for strain, 3/2 for stress).
|
||||
|
||||
"""
|
||||
d = deviatoric_part(x)
|
||||
return np.sqrt(s*(np.sum(d**2.0))) if np.shape(x) == (3,3) else \
|
||||
np.sqrt(s*np.einsum('ijk->i',d**2.0))
|
||||
|
|
|
@ -3,9 +3,11 @@ import time
|
|||
import os
|
||||
import subprocess
|
||||
import shlex
|
||||
from fractions import Fraction
|
||||
from functools import reduce
|
||||
from optparse import Option
|
||||
from queue import Queue
|
||||
from threading import Thread
|
||||
|
||||
import numpy as np
|
||||
|
||||
class bcolors:
|
||||
"""
|
||||
|
@ -161,6 +163,24 @@ def progressBar(iteration, total, prefix='', bar_length=50):
|
|||
sys.stderr.flush()
|
||||
|
||||
|
||||
def scale_to_coprime(v):
|
||||
"""Scale vector to co-prime (relatively prime) integers."""
|
||||
MAX_DENOMINATOR = 1000
|
||||
|
||||
def get_square_denominator(x):
|
||||
"""Denominator of the square of a number."""
|
||||
return Fraction(x ** 2).limit_denominator(MAX_DENOMINATOR).denominator
|
||||
|
||||
def lcm(a, b):
|
||||
"""Least common multiple."""
|
||||
return a * b // np.gcd(a, b)
|
||||
|
||||
denominators = [int(get_square_denominator(i)) for i in v]
|
||||
s = reduce(lcm, denominators) ** 0.5
|
||||
m = (np.array(v)*s).astype(np.int)
|
||||
return m//reduce(np.gcd,m)
|
||||
|
||||
|
||||
class return_message():
|
||||
"""Object with formatted return message."""
|
||||
|
||||
|
@ -179,57 +199,3 @@ class return_message():
|
|||
def __repr__(self):
|
||||
"""Return message suitable for interactive shells."""
|
||||
return srepr(self.message)
|
||||
|
||||
|
||||
class ThreadPool:
|
||||
"""Pool of threads consuming tasks from a queue."""
|
||||
|
||||
class Worker(Thread):
|
||||
"""Thread executing tasks from a given tasks queue."""
|
||||
|
||||
def __init__(self, tasks):
|
||||
"""Worker for tasks."""
|
||||
Thread.__init__(self)
|
||||
self.tasks = tasks
|
||||
self.daemon = True
|
||||
self.start()
|
||||
|
||||
def run(self):
|
||||
while True:
|
||||
func, args, kargs = self.tasks.get()
|
||||
try:
|
||||
func(*args, **kargs)
|
||||
except Exception as e:
|
||||
# An exception happened in this thread
|
||||
print(e)
|
||||
finally:
|
||||
# Mark this task as done, whether an exception happened or not
|
||||
self.tasks.task_done()
|
||||
|
||||
|
||||
def __init__(self, num_threads):
|
||||
"""
|
||||
Thread pool.
|
||||
|
||||
Parameters
|
||||
----------
|
||||
num_threads : int
|
||||
number of threads
|
||||
|
||||
"""
|
||||
self.tasks = Queue(num_threads)
|
||||
for _ in range(num_threads):
|
||||
self.Worker(self.tasks)
|
||||
|
||||
def add_task(self, func, *args, **kargs):
|
||||
"""Add a task to the queue."""
|
||||
self.tasks.put((func, args, kargs))
|
||||
|
||||
def map(self, func, args_list):
|
||||
"""Add a list of tasks to the queue."""
|
||||
for args in args_list:
|
||||
self.add_task(func, args)
|
||||
|
||||
def wait_completion(self):
|
||||
"""Wait for completion of all the tasks in the queue."""
|
||||
self.tasks.join()
|
||||
|
|
|
@ -40,7 +40,7 @@ class TestDADF5:
|
|||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_calculation(self,default):
|
||||
default.add_calculation('2.0*np.abs(#F#)-1.0','x','-','test')
|
||||
default.add_calculation('x','2.0*np.abs(#F#)-1.0','-','my notes')
|
||||
loc = {'F': default.get_dataset_location('F'),
|
||||
'x': default.get_dataset_location('x')}
|
||||
in_memory = 2.0*np.abs(default.read_dataset(loc['F'],0))-1.0
|
||||
|
@ -52,8 +52,8 @@ class TestDADF5:
|
|||
loc = {'F': default.get_dataset_location('F'),
|
||||
'P': default.get_dataset_location('P'),
|
||||
'sigma':default.get_dataset_location('sigma')}
|
||||
in_memory = mechanics.Cauchy(default.read_dataset(loc['F'],0),
|
||||
default.read_dataset(loc['P'],0))
|
||||
in_memory = mechanics.Cauchy(default.read_dataset(loc['P'],0),
|
||||
default.read_dataset(loc['F'],0))
|
||||
in_file = default.read_dataset(loc['sigma'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
|
@ -73,6 +73,54 @@ class TestDADF5:
|
|||
in_file = default.read_dataset(loc['s_P'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_eigenvalues(self,default):
|
||||
default.add_Cauchy('P','F')
|
||||
default.add_eigenvalues('sigma')
|
||||
loc = {'sigma' :default.get_dataset_location('sigma'),
|
||||
'lambda(sigma)':default.get_dataset_location('lambda(sigma)')}
|
||||
in_memory = mechanics.eigenvalues(default.read_dataset(loc['sigma'],0))
|
||||
in_file = default.read_dataset(loc['lambda(sigma)'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_eigenvectors(self,default):
|
||||
default.add_Cauchy('P','F')
|
||||
default.add_eigenvectors('sigma')
|
||||
loc = {'sigma' :default.get_dataset_location('sigma'),
|
||||
'v(sigma)':default.get_dataset_location('v(sigma)')}
|
||||
in_memory = mechanics.eigenvectors(default.read_dataset(loc['sigma'],0))
|
||||
in_file = default.read_dataset(loc['v(sigma)'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_maximum_shear(self,default):
|
||||
default.add_Cauchy('P','F')
|
||||
default.add_maximum_shear('sigma')
|
||||
loc = {'sigma' :default.get_dataset_location('sigma'),
|
||||
'max_shear(sigma)':default.get_dataset_location('max_shear(sigma)')}
|
||||
in_memory = mechanics.maximum_shear(default.read_dataset(loc['sigma'],0)).reshape(-1,1)
|
||||
in_file = default.read_dataset(loc['max_shear(sigma)'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_Mises_strain(self,default):
|
||||
t = ['V','U'][np.random.randint(0,2)]
|
||||
m = np.random.random()*2.0 - 1.0
|
||||
default.add_strain_tensor('F',t,m)
|
||||
label = 'epsilon_{}^{}(F)'.format(t,m)
|
||||
default.add_Mises(label)
|
||||
loc = {label :default.get_dataset_location(label),
|
||||
label+'_vM':default.get_dataset_location(label+'_vM')}
|
||||
in_memory = mechanics.Mises_strain(default.read_dataset(loc[label],0)).reshape(-1,1)
|
||||
in_file = default.read_dataset(loc[label+'_vM'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_Mises_stress(self,default):
|
||||
default.add_Cauchy('P','F')
|
||||
default.add_Mises('sigma')
|
||||
loc = {'sigma' :default.get_dataset_location('sigma'),
|
||||
'sigma_vM':default.get_dataset_location('sigma_vM')}
|
||||
in_memory = mechanics.Mises_stress(default.read_dataset(loc['sigma'],0)).reshape(-1,1)
|
||||
in_file = default.read_dataset(loc['sigma_vM'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_norm(self,default):
|
||||
default.add_norm('F',1)
|
||||
loc = {'F': default.get_dataset_location('F'),
|
||||
|
@ -81,6 +129,24 @@ class TestDADF5:
|
|||
in_file = default.read_dataset(loc['|F|_1'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_PK2(self,default):
|
||||
default.add_PK2('P','F')
|
||||
loc = {'F':default.get_dataset_location('F'),
|
||||
'P':default.get_dataset_location('P'),
|
||||
'S':default.get_dataset_location('S')}
|
||||
in_memory = mechanics.PK2(default.read_dataset(loc['P'],0),
|
||||
default.read_dataset(loc['F'],0))
|
||||
in_file = default.read_dataset(loc['S'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_rotational_part(self,default):
|
||||
default.add_rotational_part('F')
|
||||
loc = {'F': default.get_dataset_location('F'),
|
||||
'R(F)': default.get_dataset_location('R(F)')}
|
||||
in_memory = mechanics.rotational_part(default.read_dataset(loc['F'],0))
|
||||
in_file = default.read_dataset(loc['R(F)'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_spherical(self,default):
|
||||
default.add_spherical('P')
|
||||
loc = {'P': default.get_dataset_location('P'),
|
||||
|
@ -88,3 +154,30 @@ class TestDADF5:
|
|||
in_memory = mechanics.spherical_part(default.read_dataset(loc['P'],0)).reshape(-1,1)
|
||||
in_file = default.read_dataset(loc['p_P'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_strain(self,default):
|
||||
t = ['V','U'][np.random.randint(0,2)]
|
||||
m = np.random.random()*2.0 - 1.0
|
||||
default.add_strain_tensor('F',t,m)
|
||||
label = 'epsilon_{}^{}(F)'.format(t,m)
|
||||
loc = {'F': default.get_dataset_location('F'),
|
||||
label: default.get_dataset_location(label)}
|
||||
in_memory = mechanics.strain_tensor(default.read_dataset(loc['F'],0),t,m)
|
||||
in_file = default.read_dataset(loc[label],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_stretch_right(self,default):
|
||||
default.add_stretch_tensor('F','U')
|
||||
loc = {'F': default.get_dataset_location('F'),
|
||||
'U(F)': default.get_dataset_location('U(F)')}
|
||||
in_memory = mechanics.right_stretch(default.read_dataset(loc['F'],0))
|
||||
in_file = default.read_dataset(loc['U(F)'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
||||
def test_add_stretch_left(self,default):
|
||||
default.add_stretch_tensor('F','V')
|
||||
loc = {'F': default.get_dataset_location('F'),
|
||||
'V(F)': default.get_dataset_location('V(F)')}
|
||||
in_memory = mechanics.left_stretch(default.read_dataset(loc['F'],0))
|
||||
in_file = default.read_dataset(loc['V(F)'],0)
|
||||
assert np.allclose(in_memory,in_file)
|
||||
|
|
|
@ -10,9 +10,64 @@ class TestMechanics:
|
|||
def test_vectorize_Cauchy(self):
|
||||
P = np.random.random((self.n,3,3))
|
||||
F = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.Cauchy(F,P)[self.c],
|
||||
mechanics.Cauchy(F[self.c],P[self.c]))
|
||||
assert np.allclose(mechanics.Cauchy(P,F)[self.c],
|
||||
mechanics.Cauchy(P[self.c],F[self.c]))
|
||||
|
||||
def test_vectorize_deviatoric_part(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.deviatoric_part(x)[self.c],
|
||||
mechanics.deviatoric_part(x[self.c]))
|
||||
|
||||
def test_vectorize_eigenvalues(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.eigenvalues(x)[self.c],
|
||||
mechanics.eigenvalues(x[self.c]))
|
||||
|
||||
def test_vectorize_eigenvectors(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.eigenvectors(x)[self.c],
|
||||
mechanics.eigenvectors(x[self.c]))
|
||||
|
||||
def test_vectorize_left_stretch(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.left_stretch(x)[self.c],
|
||||
mechanics.left_stretch(x[self.c]))
|
||||
|
||||
def test_vectorize_maximum_shear(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.maximum_shear(x)[self.c],
|
||||
mechanics.maximum_shear(x[self.c]))
|
||||
|
||||
def test_vectorize_Mises_strain(self):
|
||||
epsilon = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.Mises_strain(epsilon)[self.c],
|
||||
mechanics.Mises_strain(epsilon[self.c]))
|
||||
|
||||
def test_vectorize_Mises_stress(self):
|
||||
sigma = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.Mises_stress(sigma)[self.c],
|
||||
mechanics.Mises_stress(sigma[self.c]))
|
||||
|
||||
def test_vectorize_PK2(self):
|
||||
F = np.random.random((self.n,3,3))
|
||||
P = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.PK2(P,F)[self.c],
|
||||
mechanics.PK2(P[self.c],F[self.c]))
|
||||
|
||||
def test_vectorize_right_stretch(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.right_stretch(x)[self.c],
|
||||
mechanics.right_stretch(x[self.c]))
|
||||
|
||||
def test_vectorize_rotational_part(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.rotational_part(x)[self.c],
|
||||
mechanics.rotational_part(x[self.c]))
|
||||
|
||||
def test_vectorize_spherical_part(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.spherical_part(x,True)[self.c],
|
||||
mechanics.spherical_part(x[self.c],True))
|
||||
|
||||
def test_vectorize_strain_tensor(self):
|
||||
F = np.random.random((self.n,3,3))
|
||||
|
@ -21,79 +76,24 @@ class TestMechanics:
|
|||
assert np.allclose(mechanics.strain_tensor(F,t,m)[self.c],
|
||||
mechanics.strain_tensor(F[self.c],t,m))
|
||||
|
||||
|
||||
def test_vectorize_deviatoric_part(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.deviatoric_part(x)[self.c],
|
||||
mechanics.deviatoric_part(x[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_spherical_part(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.spherical_part(x,True)[self.c],
|
||||
mechanics.spherical_part(x[self.c],True))
|
||||
|
||||
|
||||
def test_vectorize_Mises_stress(self):
|
||||
sigma = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.Mises_stress(sigma)[self.c],
|
||||
mechanics.Mises_stress(sigma[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_Mises_strain(self):
|
||||
epsilon = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.Mises_strain(epsilon)[self.c],
|
||||
mechanics.Mises_strain(epsilon[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_symmetric(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.symmetric(x)[self.c],
|
||||
mechanics.symmetric(x[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_maximum_shear(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.maximum_shear(x)[self.c],
|
||||
mechanics.maximum_shear(x[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_principal_components(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.principal_components(x)[self.c],
|
||||
mechanics.principal_components(x[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_transpose(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.transpose(x)[self.c],
|
||||
mechanics.transpose(x[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_rotational_part(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.rotational_part(x)[self.c],
|
||||
mechanics.rotational_part(x[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_left_stretch(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.left_stretch(x)[self.c],
|
||||
mechanics.left_stretch(x[self.c]))
|
||||
|
||||
|
||||
def test_vectorize_right_stretch(self):
|
||||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.right_stretch(x)[self.c],
|
||||
mechanics.right_stretch(x[self.c]))
|
||||
|
||||
|
||||
def test_Cauchy(self):
|
||||
"""Ensure Cauchy stress is symmetrized 1. Piola-Kirchhoff stress for no deformation."""
|
||||
P = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.Cauchy(np.broadcast_to(np.eye(3),(self.n,3,3)),P),
|
||||
assert np.allclose(mechanics.Cauchy(P,np.broadcast_to(np.eye(3),(self.n,3,3))),
|
||||
mechanics.symmetric(P))
|
||||
|
||||
|
||||
def test_polar_decomposition(self):
|
||||
"""F = RU = VR."""
|
||||
F = np.broadcast_to(np.eye(3),[self.n,3,3])*np.random.random((self.n,3,3))
|
||||
|
@ -104,6 +104,13 @@ class TestMechanics:
|
|||
np.matmul(V,R))
|
||||
|
||||
|
||||
def test_PK2(self):
|
||||
"""Ensure 2. Piola-Kirchhoff stress is symmetrized 1. Piola-Kirchhoff stress for no deformation."""
|
||||
P = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.PK2(P,np.broadcast_to(np.eye(3),(self.n,3,3))),
|
||||
mechanics.symmetric(P))
|
||||
|
||||
|
||||
def test_strain_tensor_no_rotation(self):
|
||||
"""Ensure that left and right stretch give same results for no rotation."""
|
||||
F = np.broadcast_to(np.eye(3),[self.n,3,3])*np.random.random((self.n,3,3))
|
||||
|
@ -186,3 +193,33 @@ class TestMechanics:
|
|||
x = np.random.random((self.n,3,3))
|
||||
assert np.allclose(mechanics.Mises_stress(x)/mechanics.Mises_strain(x),
|
||||
1.5)
|
||||
|
||||
|
||||
def test_eigenvalues(self):
|
||||
"""Ensure that the characteristic polynomial can be solved."""
|
||||
A = mechanics.symmetric(np.random.random((self.n,3,3)))
|
||||
lambd = mechanics.eigenvalues(A)
|
||||
s = np.random.randint(self.n)
|
||||
for i in range(3):
|
||||
assert np.allclose(np.linalg.det(A[s]-lambd[s,i]*np.eye(3)),.0)
|
||||
|
||||
def test_eigenvalues_and_vectors(self):
|
||||
"""Ensure that eigenvalues and -vectors are the solution to the characteristic polynomial."""
|
||||
A = mechanics.symmetric(np.random.random((self.n,3,3)))
|
||||
lambd = mechanics.eigenvalues(A)
|
||||
x = mechanics.eigenvectors(A)
|
||||
s = np.random.randint(self.n)
|
||||
for i in range(3):
|
||||
assert np.allclose(np.dot(A[s]-lambd[s,i]*np.eye(3),x[s,:,i]),.0)
|
||||
|
||||
def test_eigenvectors_RHS(self):
|
||||
"""Ensure that RHS coordinate system does only change sign of determinant."""
|
||||
A = mechanics.symmetric(np.random.random((self.n,3,3)))
|
||||
LRHS = np.linalg.det(mechanics.eigenvectors(A,RHS=False))
|
||||
RHS = np.linalg.det(mechanics.eigenvectors(A,RHS=True))
|
||||
assert np.allclose(np.abs(LRHS),RHS)
|
||||
|
||||
def test_spherical_no_shear(self):
|
||||
"""Ensure that sherical stress has max shear of 0.0."""
|
||||
A = mechanics.spherical_part(mechanics.symmetric(np.random.random((self.n,3,3))),True)
|
||||
assert np.allclose(mechanics.maximum_shear(A),0.0)
|
||||
|
|
|
@ -400,6 +400,8 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
|
|||
msg = 'number of values does not match'
|
||||
case (147)
|
||||
msg = 'not supported anymore'
|
||||
case (148)
|
||||
msg = 'Nconstituents mismatch between homogenization and microstructure'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! material error messages and related messages in mesh
|
||||
|
|
|
@ -734,7 +734,7 @@ subroutine crystallite_results
|
|||
real(pReal), allocatable, dimension(:,:,:) :: select_tensors
|
||||
integer :: e,i,c,j
|
||||
|
||||
allocate(select_tensors(3,3,count(material_phaseAt==instance)*homogenization_maxNgrains*discretization_nIP))
|
||||
allocate(select_tensors(3,3,count(material_phaseAt==instance)*discretization_nIP))
|
||||
|
||||
j=0
|
||||
do e = 1, size(material_phaseAt,2)
|
||||
|
|
|
@ -475,7 +475,7 @@ subroutine formResidual(da_local,x_local, &
|
|||
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter+1, '≤', itmax
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotTensor2(F_aim,active=.true.))
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim =', transpose(F_aim)
|
||||
flush(6)
|
||||
|
@ -491,7 +491,7 @@ subroutine formResidual(da_local,x_local, &
|
|||
x_elem(ctr,1:3) = x_scal(0:2,i+ii,j+jj,k+kk)
|
||||
enddo; enddo; enddo
|
||||
ii = i-xstart+1; jj = j-ystart+1; kk = k-zstart+1
|
||||
F(1:3,1:3,ii,jj,kk) = params%rotation_BC%rotTensor2(F_aim,active=.true.) + transpose(matmul(BMat,x_elem))
|
||||
F(1:3,1:3,ii,jj,kk) = params%rotation_BC%rotate(F_aim,active=.true.) + transpose(matmul(BMat,x_elem))
|
||||
enddo; enddo; enddo
|
||||
call DMDAVecRestoreArrayF90(da_local,x_local,x_scal,ierr);CHKERRQ(ierr)
|
||||
|
||||
|
|
|
@ -297,7 +297,7 @@ subroutine grid_mech_spectral_basic_forward(cutBack,guess,timeinc,timeinc_old,lo
|
|||
|
||||
Fdot = utilities_calculateRate(guess, &
|
||||
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
|
||||
rotation_BC%rotTensor2(F_aimDot,active=.true.))
|
||||
rotation_BC%rotate(F_aimDot,active=.true.))
|
||||
F_lastInc = reshape(F,[3,3,grid(1),grid(2),grid3])
|
||||
|
||||
materialpoint_F0 = reshape(F, [3,3,1,product(grid(1:2))*grid3])
|
||||
|
@ -307,7 +307,7 @@ subroutine grid_mech_spectral_basic_forward(cutBack,guess,timeinc,timeinc_old,lo
|
|||
! update average and local deformation gradients
|
||||
F_aim = F_aim_lastInc + F_aimDot * timeinc
|
||||
F = reshape(Utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
|
||||
rotation_BC%rotTensor2(F_aim,active=.true.)),[9,grid(1),grid(2),grid3])
|
||||
rotation_BC%rotate(F_aim,active=.true.)),[9,grid(1),grid(2),grid3])
|
||||
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
|
||||
|
||||
end subroutine grid_mech_spectral_basic_forward
|
||||
|
@ -441,7 +441,7 @@ subroutine formResidual(in, F, &
|
|||
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotTensor2(F_aim,active=.true.))
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim =', transpose(F_aim)
|
||||
flush(6)
|
||||
|
@ -466,7 +466,7 @@ subroutine formResidual(in, F, &
|
|||
tensorField_real(1:3,1:3,1:grid(1),1:grid(2),1:grid3) = residuum ! store fPK field for subsequent FFT forward transform
|
||||
call utilities_FFTtensorForward ! FFT forward of global "tensorField_real"
|
||||
err_div = Utilities_divergenceRMS() ! divRMS of tensorField_fourier for later use
|
||||
call utilities_fourierGammaConvolution(params%rotation_BC%rotTensor2(deltaF_aim,active=.true.)) ! convolution of Gamma and tensorField_fourier
|
||||
call utilities_fourierGammaConvolution(params%rotation_BC%rotate(deltaF_aim,active=.true.)) ! convolution of Gamma and tensorField_fourier
|
||||
call utilities_FFTtensorBackward ! FFT backward of global tensorField_fourier
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
|
@ -321,10 +321,10 @@ subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,timeinc,timeinc
|
|||
|
||||
Fdot = utilities_calculateRate(guess, &
|
||||
F_lastInc,reshape(F,[3,3,grid(1),grid(2),grid3]),timeinc_old, &
|
||||
rotation_BC%rotTensor2(F_aimDot,active=.true.))
|
||||
rotation_BC%rotate(F_aimDot,active=.true.))
|
||||
F_tauDot = utilities_calculateRate(guess, &
|
||||
F_tau_lastInc,reshape(F_tau,[3,3,grid(1),grid(2),grid3]), timeinc_old, &
|
||||
rotation_BC%rotTensor2(F_aimDot,active=.true.))
|
||||
rotation_BC%rotate(F_aimDot,active=.true.))
|
||||
F_lastInc = reshape(F, [3,3,grid(1),grid(2),grid3])
|
||||
F_tau_lastInc = reshape(F_tau,[3,3,grid(1),grid(2),grid3])
|
||||
|
||||
|
@ -335,7 +335,7 @@ subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,timeinc,timeinc
|
|||
! update average and local deformation gradients
|
||||
F_aim = F_aim_lastInc + F_aimDot * timeinc
|
||||
F = reshape(utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
|
||||
rotation_BC%rotTensor2(F_aim,active=.true.)),&
|
||||
rotation_BC%rotate(F_aim,active=.true.)),&
|
||||
[9,grid(1),grid(2),grid3])
|
||||
if (guess) then
|
||||
F_tau = reshape(Utilities_forwardField(timeinc,F_tau_lastInc,F_taudot), &
|
||||
|
@ -510,7 +510,7 @@ subroutine formResidual(in, FandF_tau, &
|
|||
write(6,'(1x,a,3(a,i0))') trim(incInfo), ' @ Iteration ', itmin, '≤',totalIter, '≤', itmax
|
||||
if (iand(debug_level(debug_spectral),debug_spectralRotation) /= 0) &
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotTensor2(F_aim,active=.true.))
|
||||
' deformation gradient aim (lab) =', transpose(params%rotation_BC%rotate(F_aim,active=.true.))
|
||||
write(6,'(/,a,/,3(3(f12.7,1x)/))',advance='no') &
|
||||
' deformation gradient aim =', transpose(F_aim)
|
||||
flush(6)
|
||||
|
@ -529,7 +529,7 @@ subroutine formResidual(in, FandF_tau, &
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! doing convolution in Fourier space
|
||||
call utilities_FFTtensorForward
|
||||
call utilities_fourierGammaConvolution(params%rotation_BC%rotTensor2(polarBeta*F_aim,active=.true.))
|
||||
call utilities_fourierGammaConvolution(params%rotation_BC%rotate(polarBeta*F_aim,active=.true.))
|
||||
call utilities_FFTtensorBackward
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
@ -547,7 +547,7 @@ subroutine formResidual(in, FandF_tau, &
|
|||
! stress BC handling
|
||||
F_aim = F_aim - math_mul3333xx33(S, ((P_av - params%stress_BC))) ! S = 0.0 for no bc
|
||||
err_BC = maxval(abs((1.0_pReal-params%stress_mask) * math_mul3333xx33(C_scale,F_aim &
|
||||
-params%rotation_BC%rotTensor2(F_av)) + &
|
||||
-params%rotation_BC%rotate(F_av)) + &
|
||||
params%stress_mask * (P_av-params%stress_BC))) ! mask = 0.0 for no bc
|
||||
! calculate divergence
|
||||
tensorField_real = 0.0_pReal
|
||||
|
|
|
@ -688,9 +688,10 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
type(rotation), intent(in) :: rot_BC !< rotation of load frame
|
||||
logical, intent(in), dimension(3,3) :: mask_stress !< mask of stress BC
|
||||
|
||||
integer :: j, k, m, n
|
||||
integer :: i, j
|
||||
logical, dimension(9) :: mask_stressVector
|
||||
real(pReal), dimension(9,9) :: temp99_Real
|
||||
logical, dimension(9,9) :: mask
|
||||
real(pReal), dimension(9,9) :: temp99_real
|
||||
integer :: size_reduced = 0
|
||||
real(pReal), dimension(:,:), allocatable :: &
|
||||
s_reduced, & !< reduced compliance matrix (depending on number of stress BC)
|
||||
|
@ -701,11 +702,8 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
|
||||
mask_stressVector = reshape(transpose(mask_stress), [9])
|
||||
size_reduced = count(mask_stressVector)
|
||||
if(size_reduced > 0 )then
|
||||
allocate (c_reduced(size_reduced,size_reduced), source =0.0_pReal)
|
||||
allocate (s_reduced(size_reduced,size_reduced), source =0.0_pReal)
|
||||
allocate (sTimesC(size_reduced,size_reduced), source =0.0_pReal)
|
||||
temp99_Real = math_3333to99(rot_BC%rotTensor4(C))
|
||||
if(size_reduced > 0) then
|
||||
temp99_real = math_3333to99(rot_BC%rotate(C))
|
||||
|
||||
if(debugGeneral) then
|
||||
write(6,'(/,a)') ' ... updating masked compliance ............................................'
|
||||
|
@ -713,42 +711,21 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
transpose(temp99_Real)*1.0e-9_pReal
|
||||
flush(6)
|
||||
endif
|
||||
k = 0 ! calculate reduced stiffness
|
||||
do n = 1,9
|
||||
if(mask_stressVector(n)) then
|
||||
k = k + 1
|
||||
j = 0
|
||||
do m = 1,9
|
||||
if(mask_stressVector(m)) then
|
||||
j = j + 1
|
||||
c_reduced(k,j) = temp99_Real(n,m)
|
||||
endif; enddo; endif; enddo
|
||||
|
||||
do i = 1,9; do j = 1,9
|
||||
mask(i,j) = mask_stressVector(i) .and. mask_stressVector(j)
|
||||
enddo; enddo
|
||||
c_reduced = reshape(pack(temp99_Real,mask),[size_reduced,size_reduced])
|
||||
|
||||
allocate(s_reduced,mold = c_reduced)
|
||||
call math_invert(s_reduced, errmatinv, c_reduced) ! invert reduced stiffness
|
||||
if (any(IEEE_is_NaN(s_reduced))) errmatinv = .true.
|
||||
if (errmatinv) call IO_error(error_ID=400,ext_msg='utilities_maskedCompliance')
|
||||
temp99_Real = 0.0_pReal ! fill up compliance with zeros
|
||||
k = 0
|
||||
do n = 1,9
|
||||
if(mask_stressVector(n)) then
|
||||
k = k + 1
|
||||
j = 0
|
||||
do m = 1,9
|
||||
if(mask_stressVector(m)) then
|
||||
j = j + 1
|
||||
temp99_Real(n,m) = s_reduced(k,j)
|
||||
endif; enddo; endif; enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! check if inversion was successful
|
||||
sTimesC = matmul(c_reduced,s_reduced)
|
||||
do m=1, size_reduced
|
||||
do n=1, size_reduced
|
||||
errmatinv = errmatinv &
|
||||
.or. (m==n .and. abs(sTimesC(m,n)-1.0_pReal) > 1.0e-12_pReal) & ! diagonal elements of S*C should be 1
|
||||
.or. (m/=n .and. abs(sTimesC(m,n)) > 1.0e-12_pReal) ! off-diagonal elements of S*C should be 0
|
||||
enddo
|
||||
enddo
|
||||
errmatinv = errmatinv .or. any(dNeq(sTimesC,math_identity2nd(size_reduced),1.0e-12_pReal))
|
||||
if (debugGeneral .or. errmatinv) then
|
||||
write(formatString, '(i2)') size_reduced
|
||||
formatString = '(/,a,/,'//trim(formatString)//'('//trim(formatString)//'(2x,es9.2,1x)/))'
|
||||
|
@ -757,15 +734,18 @@ function utilities_maskedCompliance(rot_BC,mask_stress,C)
|
|||
write(6,trim(formatString),advance='no') ' S (load) ', transpose(s_reduced)
|
||||
if(errmatinv) call IO_error(error_ID=400,ext_msg='utilities_maskedCompliance')
|
||||
endif
|
||||
temp99_real = reshape(unpack(reshape(s_reduced,[size_reduced**2]),reshape(mask,[81]),0.0_pReal),[9,9])
|
||||
else
|
||||
temp99_real = 0.0_pReal
|
||||
endif
|
||||
|
||||
utilities_maskedCompliance = math_99to3333(temp99_Real)
|
||||
|
||||
if(debugGeneral) then
|
||||
write(6,'(/,a,/,9(9(2x,f10.5,1x)/),/)',advance='no') &
|
||||
' Masked Compliance (load) * GPa =', transpose(temp99_Real)*1.0e9_pReal
|
||||
flush(6)
|
||||
endif
|
||||
utilities_maskedCompliance = math_99to3333(temp99_Real)
|
||||
|
||||
end function utilities_maskedCompliance
|
||||
|
||||
|
@ -862,7 +842,7 @@ subroutine utilities_constitutiveResponse(P,P_av,C_volAvg,C_minmaxAvg,&
|
|||
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress (lab) / MPa =',&
|
||||
transpose(P_av)*1.e-6_pReal
|
||||
if(present(rotation_BC)) &
|
||||
P_av = rotation_BC%rotTensor2(P_av)
|
||||
P_av = rotation_BC%rotate(P_av)
|
||||
write(6,'(/,a,/,3(3(2x,f12.4,1x)/))',advance='no') ' Piola--Kirchhoff stress / MPa =',&
|
||||
transpose(P_av)*1.e-6_pReal
|
||||
flush(6)
|
||||
|
|
|
@ -146,9 +146,7 @@ subroutine homogenization_init
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
! allocate and initialize global variables
|
||||
allocate(materialpoint_dPdF(3,3,3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
|
||||
allocate(materialpoint_F0(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
|
||||
materialpoint_F0 = spread(spread(math_I3,3,discretization_nIP),4,discretization_nElem) ! initialize to identity
|
||||
allocate(materialpoint_F(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
|
||||
materialpoint_F = materialpoint_F0 ! initialize to identity
|
||||
allocate(materialpoint_subF0(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
|
||||
allocate(materialpoint_subF(3,3,discretization_nIP,discretization_nElem), source=0.0_pReal)
|
||||
|
@ -336,9 +334,7 @@ subroutine materialpoint_stressAndItsTangent(updateJaco,dt)
|
|||
write(6,*) 'Integration point ', i,' at element ', e, ' terminally ill'
|
||||
!$OMP END CRITICAL (write2out)
|
||||
endif
|
||||
!$OMP CRITICAL (setTerminallyIll)
|
||||
terminallyIll = .true. ! ...and kills all others
|
||||
!$OMP END CRITICAL (setTerminallyIll)
|
||||
else ! cutback makes sense
|
||||
materialpoint_subStep(i,e) = subStepSizeHomog * materialpoint_subStep(i,e) ! crystallite had severe trouble, so do a significant cutback
|
||||
|
||||
|
|
110
src/lattice.f90
110
src/lattice.f90
|
@ -524,7 +524,7 @@ contains
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine lattice_init
|
||||
|
||||
integer :: Nphases, p
|
||||
integer :: Nphases, p,i
|
||||
character(len=pStringLen) :: &
|
||||
tag = ''
|
||||
real(pReal) :: CoverA
|
||||
|
@ -550,27 +550,11 @@ subroutine lattice_init
|
|||
allocate(lattice_mu(Nphases), source=0.0_pReal)
|
||||
allocate(lattice_nu(Nphases), source=0.0_pReal)
|
||||
|
||||
|
||||
allocate(lattice_Scleavage(3,3,3,lattice_maxNcleavage,Nphases),source=0.0_pReal)
|
||||
allocate(lattice_NcleavageSystem(lattice_maxNcleavageFamily,Nphases),source=0)
|
||||
|
||||
do p = 1, size(config_phase)
|
||||
tag = config_phase(p)%getString('lattice_structure')
|
||||
select case(trim(tag(1:3)))
|
||||
case('iso')
|
||||
lattice_structure(p) = LATTICE_iso_ID
|
||||
case('fcc')
|
||||
lattice_structure(p) = LATTICE_fcc_ID
|
||||
case('bcc')
|
||||
lattice_structure(p) = LATTICE_bcc_ID
|
||||
case('hex')
|
||||
lattice_structure(p) = LATTICE_hex_ID
|
||||
case('bct')
|
||||
lattice_structure(p) = LATTICE_bct_ID
|
||||
case('ort')
|
||||
lattice_structure(p) = LATTICE_ort_ID
|
||||
end select
|
||||
|
||||
do p = 1, size(config_phase)
|
||||
|
||||
lattice_C66(1,1,p) = config_phase(p)%getFloat('c11',defaultVal=0.0_pReal)
|
||||
lattice_C66(1,2,p) = config_phase(p)%getFloat('c12',defaultVal=0.0_pReal)
|
||||
|
@ -582,9 +566,44 @@ subroutine lattice_init
|
|||
lattice_C66(5,5,p) = config_phase(p)%getFloat('c55',defaultVal=0.0_pReal)
|
||||
lattice_C66(6,6,p) = config_phase(p)%getFloat('c66',defaultVal=0.0_pReal)
|
||||
|
||||
|
||||
CoverA = config_phase(p)%getFloat('c/a',defaultVal=0.0_pReal)
|
||||
|
||||
tag = config_phase(p)%getString('lattice_structure')
|
||||
select case(tag(1:3))
|
||||
case('iso')
|
||||
lattice_structure(p) = LATTICE_iso_ID
|
||||
case('fcc')
|
||||
lattice_structure(p) = LATTICE_fcc_ID
|
||||
case('bcc')
|
||||
lattice_structure(p) = LATTICE_bcc_ID
|
||||
case('hex')
|
||||
if(CoverA < 1.0_pReal .or. CoverA > 2.0_pReal) call IO_error(131,el=p)
|
||||
lattice_structure(p) = LATTICE_hex_ID
|
||||
case('bct')
|
||||
if(CoverA > 2.0_pReal) call IO_error(131,el=p)
|
||||
lattice_structure(p) = LATTICE_bct_ID
|
||||
case('ort')
|
||||
lattice_structure(p) = LATTICE_ort_ID
|
||||
case default
|
||||
call IO_error(130,ext_msg='lattice_init')
|
||||
end select
|
||||
|
||||
lattice_C66(1:6,1:6,p) = lattice_symmetrizeC66(lattice_structure(p),lattice_C66(1:6,1:6,p))
|
||||
|
||||
lattice_mu(p) = 0.2_pReal *(lattice_C66(1,1,p) -lattice_C66(1,2,p) +3.0_pReal*lattice_C66(4,4,p)) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
|
||||
lattice_nu(p) = ( lattice_C66(1,1,p) +4.0_pReal*lattice_C66(1,2,p) -2.0_pReal*lattice_C66(4,4,p)) &
|
||||
/ (4.0_pReal*lattice_C66(1,1,p) +6.0_pReal*lattice_C66(1,2,p) +2.0_pReal*lattice_C66(4,4,p))! C12iso/(C11iso+C12iso) with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
|
||||
|
||||
lattice_C3333(1:3,1:3,1:3,1:3,p) = math_Voigt66to3333(lattice_C66(1:6,1:6,p)) ! Literature data is Voigt
|
||||
lattice_C66(1:6,1:6,p) = math_sym3333to66(lattice_C3333(1:3,1:3,1:3,1:3,p)) ! DAMASK uses Mandel-weighting
|
||||
|
||||
do i = 1, 6
|
||||
if (abs(lattice_C66(i,i,p))<tol_math_check) &
|
||||
call IO_error(135,el=i,ip=p,ext_msg='matrix diagonal "el"ement of phase "ip"')
|
||||
enddo
|
||||
|
||||
|
||||
! should not be part of lattice
|
||||
lattice_thermalConductivity33(1,1,p) = config_phase(p)%getFloat('thermal_conductivity11',defaultVal=0.0_pReal)
|
||||
lattice_thermalConductivity33(2,2,p) = config_phase(p)%getFloat('thermal_conductivity22',defaultVal=0.0_pReal)
|
||||
lattice_thermalConductivity33(3,3,p) = config_phase(p)%getFloat('thermal_conductivity33',defaultVal=0.0_pReal)
|
||||
|
@ -604,10 +623,6 @@ subroutine lattice_init
|
|||
lattice_DamageDiffusion33(3,3,p) = config_phase(p)%getFloat( 'damage_diffusion33',defaultVal=0.0_pReal)
|
||||
lattice_DamageMobility(p) = config_phase(p)%getFloat( 'damage_mobility',defaultVal=0.0_pReal)
|
||||
|
||||
if ((CoverA < 1.0_pReal .or. CoverA > 2.0_pReal) &
|
||||
.and. lattice_structure(p) == LATTICE_hex_ID) call IO_error(131,el=p) ! checking physical significance of c/a
|
||||
if ((CoverA > 2.0_pReal) &
|
||||
.and. lattice_structure(p) == LATTICE_bct_ID) call IO_error(131,el=p) ! checking physical significance of c/a
|
||||
call lattice_initializeStructure(p, CoverA)
|
||||
enddo
|
||||
|
||||
|
@ -624,27 +639,7 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
|
|||
CoverA
|
||||
|
||||
integer :: &
|
||||
i, &
|
||||
myNcleavage
|
||||
|
||||
lattice_C66(1:6,1:6,myPhase) = lattice_symmetrizeC66(lattice_structure(myPhase),&
|
||||
lattice_C66(1:6,1:6,myPhase))
|
||||
|
||||
lattice_mu(myPhase) = 0.2_pReal *( lattice_C66(1,1,myPhase) &
|
||||
- lattice_C66(1,2,myPhase) &
|
||||
+ 3.0_pReal*lattice_C66(4,4,myPhase)) ! (C11iso-C12iso)/2 with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
|
||||
lattice_nu(myPhase) = ( lattice_C66(1,1,myPhase) &
|
||||
+ 4.0_pReal*lattice_C66(1,2,myPhase) &
|
||||
- 2.0_pReal*lattice_C66(4,4,myPhase)) &
|
||||
/( 4.0_pReal*lattice_C66(1,1,myPhase) &
|
||||
+ 6.0_pReal*lattice_C66(1,2,myPhase) &
|
||||
+ 2.0_pReal*lattice_C66(4,4,myPhase))! C12iso/(C11iso+C12iso) with C11iso=(3*C11+2*C12+4*C44)/5 and C12iso=(C11+4*C12-2*C44)/5
|
||||
lattice_C3333(1:3,1:3,1:3,1:3,myPhase) = math_Voigt66to3333(lattice_C66(1:6,1:6,myPhase)) ! Literature data is Voigt
|
||||
lattice_C66(1:6,1:6,myPhase) = math_sym3333to66(lattice_C3333(1:3,1:3,1:3,1:3,myPhase)) ! DAMASK uses Mandel-weighting
|
||||
do i = 1, 6
|
||||
if (abs(lattice_C66(i,i,myPhase))<tol_math_check) &
|
||||
call IO_error(135,el=i,ip=myPhase,ext_msg='matrix diagonal "el"ement of phase "ip"')
|
||||
enddo
|
||||
i
|
||||
|
||||
do i = 1,3
|
||||
lattice_thermalExpansion33 (1:3,1:3,i,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
|
||||
|
@ -655,51 +650,34 @@ subroutine lattice_initializeStructure(myPhase,CoverA)
|
|||
lattice_thermalConductivity33 (1:3,1:3,myPhase))
|
||||
lattice_DamageDiffusion33 (1:3,1:3,myPhase) = lattice_symmetrize33(lattice_structure(myPhase),&
|
||||
lattice_DamageDiffusion33 (1:3,1:3,myPhase))
|
||||
myNcleavage = 0
|
||||
|
||||
select case(lattice_structure(myPhase))
|
||||
|
||||
case (LATTICE_fcc_ID)
|
||||
myNcleavage = lattice_fcc_Ncleavage
|
||||
lattice_NcleavageSystem(1:2,myPhase) = lattice_fcc_NcleavageSystem
|
||||
|
||||
lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
|
||||
lattice_Scleavage(1:3,1:3,1:3,1:lattice_fcc_Ncleavage,myPhase) = &
|
||||
lattice_SchmidMatrix_cleavage(lattice_fcc_ncleavageSystem,'fcc',covera)
|
||||
|
||||
case (LATTICE_bcc_ID)
|
||||
myNcleavage = lattice_bcc_Ncleavage
|
||||
lattice_NcleavageSystem(1:2,myPhase) = lattice_bcc_NcleavageSystem
|
||||
|
||||
lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
|
||||
lattice_Scleavage(1:3,1:3,1:3,1:lattice_bcc_Ncleavage,myPhase) = &
|
||||
lattice_SchmidMatrix_cleavage(lattice_bcc_ncleavagesystem,'bcc',covera)
|
||||
|
||||
case (LATTICE_hex_ID)
|
||||
myNcleavage = lattice_hex_Ncleavage
|
||||
lattice_NcleavageSystem(1:1,myPhase) = lattice_hex_NcleavageSystem
|
||||
|
||||
lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
|
||||
lattice_Scleavage(1:3,1:3,1:3,1:lattice_hex_Ncleavage,myPhase) = &
|
||||
lattice_SchmidMatrix_cleavage(lattice_hex_ncleavagesystem,'hex',covera)
|
||||
|
||||
case (LATTICE_bct_ID)
|
||||
|
||||
case (LATTICE_ort_ID)
|
||||
myNcleavage = lattice_ort_Ncleavage
|
||||
lattice_NcleavageSystem(1:3,myPhase) = lattice_ort_NcleavageSystem
|
||||
|
||||
lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
|
||||
lattice_Scleavage(1:3,1:3,1:3,1:lattice_ort_Ncleavage,myPhase) = &
|
||||
lattice_SchmidMatrix_cleavage(lattice_ort_NcleavageSystem,'ort',covera)
|
||||
|
||||
case (LATTICE_iso_ID)
|
||||
myNcleavage = lattice_iso_Ncleavage
|
||||
lattice_NcleavageSystem(1:1,myPhase) = lattice_iso_NcleavageSystem
|
||||
|
||||
lattice_Scleavage(1:3,1:3,1:3,1:myNcleavage,myPhase) = &
|
||||
lattice_Scleavage(1:3,1:3,1:3,1:lattice_iso_Ncleavage,myPhase) = &
|
||||
lattice_SchmidMatrix_cleavage(lattice_iso_NcleavageSystem,'iso',covera)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! something went wrong
|
||||
case default
|
||||
call IO_error(130,ext_msg='lattice_initializeStructure')
|
||||
end select
|
||||
|
||||
end subroutine lattice_initializeStructure
|
||||
|
|
|
@ -268,6 +268,7 @@ subroutine material_init
|
|||
if(microstructure_Nconstituents(m) < 1) &
|
||||
call IO_error(151,m)
|
||||
enddo
|
||||
if(homogenization_maxNgrains > size(microstructure_phase,1)) call IO_error(148)
|
||||
|
||||
debugOut: if (iand(myDebug,debug_levelExtensive) /= 0) then
|
||||
write(6,'(/,a,/)') ' MATERIAL configuration'
|
||||
|
@ -290,6 +291,7 @@ subroutine material_init
|
|||
|
||||
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
|
||||
! 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_orientation0(homogenization_maxNgrains,discretization_nIP,discretization_nElem))
|
||||
|
@ -298,15 +300,24 @@ subroutine material_init
|
|||
do i = 1, discretization_nIP
|
||||
myMicro = discretization_microstructureAt(e)
|
||||
do c = 1, homogenization_Ngrains(discretization_homogenizationAt(e))
|
||||
if(microstructure_phase(c,myMicro) > 0) then
|
||||
material_phaseAt(c,e) = microstructure_phase(c,myMicro)
|
||||
else
|
||||
call IO_error(150,ext_msg='phase')
|
||||
endif
|
||||
if(microstructure_texture(c,myMicro) > 0) then
|
||||
material_texture(c,i,e) = microstructure_texture(c,myMicro)
|
||||
material_orientation0(c,i,e) = texture_orientation(material_texture(c,i,e))
|
||||
else
|
||||
call IO_error(150,ext_msg='texture')
|
||||
endif
|
||||
enddo
|
||||
enddo
|
||||
enddo
|
||||
|
||||
deallocate(microstructure_phase)
|
||||
deallocate(microstructure_texture)
|
||||
deallocate(texture_orientation)
|
||||
|
||||
|
||||
allocate(material_homogenizationAt,source=discretization_homogenizationAt)
|
||||
|
@ -464,7 +475,7 @@ subroutine material_parseMicrostructure
|
|||
real(pReal), dimension(:,:), allocatable :: &
|
||||
microstructure_fraction !< vol fraction of each constituent in microstructure
|
||||
integer :: &
|
||||
microstructure_maxNconstituents !< max number of constituents in any phase
|
||||
maxNconstituents !< max number of constituents in any phase
|
||||
|
||||
allocate(microstructure_Nconstituents(size(config_microstructure)), source=0)
|
||||
|
||||
|
@ -475,10 +486,10 @@ subroutine material_parseMicrostructure
|
|||
microstructure_Nconstituents(m) = config_microstructure(m)%countKeys('(constituent)')
|
||||
enddo
|
||||
|
||||
microstructure_maxNconstituents = maxval(microstructure_Nconstituents)
|
||||
allocate(microstructure_phase (microstructure_maxNconstituents,size(config_microstructure)),source=0)
|
||||
allocate(microstructure_texture (microstructure_maxNconstituents,size(config_microstructure)),source=0)
|
||||
allocate(microstructure_fraction(microstructure_maxNconstituents,size(config_microstructure)),source=0.0_pReal)
|
||||
maxNconstituents = maxval(microstructure_Nconstituents)
|
||||
allocate(microstructure_phase (maxNconstituents,size(config_microstructure)),source=0)
|
||||
allocate(microstructure_texture (maxNconstituents,size(config_microstructure)),source=0)
|
||||
allocate(microstructure_fraction(maxNconstituents,size(config_microstructure)),source=0.0_pReal)
|
||||
|
||||
allocate(strings(1)) ! Intel 16.0 Bug
|
||||
do m=1, size(config_microstructure)
|
||||
|
|
|
@ -485,15 +485,15 @@ end subroutine results_writeScalarDataset_rotation
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief adds the unique mapping from spatial position and constituent ID to results
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine results_mapping_constituent(phaseAt,memberAt,label)
|
||||
subroutine results_mapping_constituent(phaseAt,memberAtLocal,label)
|
||||
|
||||
integer, dimension(:,:), intent(in) :: phaseAt !< phase section at (constituent,element)
|
||||
integer, dimension(:,:,:), intent(in) :: memberAt !< phase member at (constituent,IP,element)
|
||||
character(len=*), dimension(:), intent(in) :: label !< label of each phase section
|
||||
integer, dimension(:,:,:), intent(in) :: memberAtLocal !< phase member at (constituent,IP,element)
|
||||
character(len=pStringLen), dimension(:), intent(in) :: label !< label of each phase section
|
||||
|
||||
integer, dimension(size(memberAt,1),size(memberAt,2),size(memberAt,3)) :: &
|
||||
phaseAt_perIP, &
|
||||
memberAt_total
|
||||
integer, dimension(size(memberAtLocal,1),size(memberAtLocal,2),size(memberAtLocal,3)) :: &
|
||||
phaseAtMaterialpoint, &
|
||||
memberAtGlobal
|
||||
integer, dimension(size(label),0:worldsize-1) :: memberOffset !< offset in member counting per process
|
||||
integer, dimension(0:worldsize-1) :: writeSize !< amount of data written per process
|
||||
integer(HSIZE_T), dimension(2) :: &
|
||||
|
@ -543,10 +543,10 @@ subroutine results_mapping_constituent(phaseAt,memberAt,label)
|
|||
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, ierr)
|
||||
memberOffset = 0
|
||||
do i=1, size(label)
|
||||
memberOffset(i,worldrank) = count(phaseAt == i)*size(memberAt,2) ! number of points/instance of this process
|
||||
memberOffset(i,worldrank) = count(phaseAt == i)*size(memberAtLocal,2) ! number of points/instance of this process
|
||||
enddo
|
||||
writeSize = 0
|
||||
writeSize(worldrank) = size(memberAt(1,:,:)) ! total number of points by this process
|
||||
writeSize(worldrank) = size(memberAtLocal(1,:,:)) ! total number of points by this process
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! MPI settings and communication
|
||||
|
@ -578,14 +578,14 @@ subroutine results_mapping_constituent(phaseAt,memberAt,label)
|
|||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! expand phaseAt to consider IPs (is not stored per IP)
|
||||
do i = 1, size(phaseAt_perIP,2)
|
||||
phaseAt_perIP(:,i,:) = phaseAt
|
||||
do i = 1, size(phaseAtMaterialpoint,2)
|
||||
phaseAtMaterialpoint(:,i,:) = phaseAt
|
||||
enddo
|
||||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! renumber member from my process to all processes
|
||||
do i = 1, size(label)
|
||||
where(phaseAt_perIP == i) memberAt_total = memberAt + sum(memberOffset(i,0:worldrank-1)) -1 ! convert to 0-based
|
||||
where(phaseAtMaterialpoint == i) memberAtGlobal = memberAtLocal + sum(memberOffset(i,0:worldrank-1)) -1 ! convert to 0-based
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
@ -596,10 +596,10 @@ subroutine results_mapping_constituent(phaseAt,memberAt,label)
|
|||
call h5dcreate_f(loc_id, 'constituent', dtype_id, filespace_id, dset_id, ierr)
|
||||
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5dcreate_f')
|
||||
|
||||
call h5dwrite_f(dset_id, name_id, reshape(label(pack(phaseAt_perIP,.true.)),myShape), &
|
||||
call h5dwrite_f(dset_id, name_id, reshape(label(pack(phaseAtMaterialpoint,.true.)),myShape), &
|
||||
myShape, ierr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
|
||||
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5dwrite_f/name_id')
|
||||
call h5dwrite_f(dset_id, position_id, reshape(pack(memberAt_total,.true.),myShape), &
|
||||
call h5dwrite_f(dset_id, position_id, reshape(pack(memberAtGlobal,.true.),myShape), &
|
||||
myShape, ierr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
|
||||
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_constituent: h5dwrite_f/position_id')
|
||||
|
||||
|
@ -620,15 +620,15 @@ end subroutine results_mapping_constituent
|
|||
!--------------------------------------------------------------------------------------------------
|
||||
!> @brief adds the unique mapping from spatial position and constituent ID to results
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
subroutine results_mapping_materialpoint(homogenizationAt,memberAt,label)
|
||||
subroutine results_mapping_materialpoint(homogenizationAt,memberAtLocal,label)
|
||||
|
||||
integer, dimension(:), intent(in) :: homogenizationAt !< homogenization section at (element)
|
||||
integer, dimension(:,:), intent(in) :: memberAt !< homogenization member at (IP,element)
|
||||
character(len=*), dimension(:), intent(in) :: label !< label of each homogenization section
|
||||
integer, dimension(:,:), intent(in) :: memberAtLocal !< homogenization member at (IP,element)
|
||||
character(len=pStringLen), dimension(:), intent(in) :: label !< label of each homogenization section
|
||||
|
||||
integer, dimension(size(memberAt,1),size(memberAt,2)) :: &
|
||||
homogenizationAt_perIP, &
|
||||
memberAt_total
|
||||
integer, dimension(size(memberAtLocal,1),size(memberAtLocal,2)) :: &
|
||||
homogenizationAtMaterialpoint, &
|
||||
memberAtGlobal
|
||||
integer, dimension(size(label),0:worldsize-1) :: memberOffset !< offset in member counting per process
|
||||
integer, dimension(0:worldsize-1) :: writeSize !< amount of data written per process
|
||||
integer(HSIZE_T), dimension(1) :: &
|
||||
|
@ -678,10 +678,10 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAt,label)
|
|||
call h5pcreate_f(H5P_DATASET_XFER_F, plist_id, ierr)
|
||||
memberOffset = 0
|
||||
do i=1, size(label)
|
||||
memberOffset(i,worldrank) = count(homogenizationAt == i)*size(memberAt,1) ! number of points/instance of this process
|
||||
memberOffset(i,worldrank) = count(homogenizationAt == i)*size(memberAtLocal,1) ! number of points/instance of this process
|
||||
enddo
|
||||
writeSize = 0
|
||||
writeSize(worldrank) = size(memberAt) ! total number of points by this process
|
||||
writeSize(worldrank) = size(memberAtLocal) ! total number of points by this process
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! MPI settings and communication
|
||||
|
@ -713,14 +713,14 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAt,label)
|
|||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! expand phaseAt to consider IPs (is not stored per IP)
|
||||
do i = 1, size(homogenizationAt_perIP,1)
|
||||
homogenizationAt_perIP(i,:) = homogenizationAt
|
||||
do i = 1, size(homogenizationAtMaterialpoint,1)
|
||||
homogenizationAtMaterialpoint(i,:) = homogenizationAt
|
||||
enddo
|
||||
|
||||
!---------------------------------------------------------------------------------------------------
|
||||
! renumber member from my process to all processes
|
||||
do i = 1, size(label)
|
||||
where(homogenizationAt_perIP == i) memberAt_total = memberAt + sum(memberOffset(i,0:worldrank-1)) - 1 ! convert to 0-based
|
||||
where(homogenizationAtMaterialpoint == i) memberAtGlobal = memberAtLocal + sum(memberOffset(i,0:worldrank-1)) - 1 ! convert to 0-based
|
||||
enddo
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
@ -731,10 +731,10 @@ subroutine results_mapping_materialpoint(homogenizationAt,memberAt,label)
|
|||
call h5dcreate_f(loc_id, 'materialpoint', dtype_id, filespace_id, dset_id, ierr)
|
||||
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5dcreate_f')
|
||||
|
||||
call h5dwrite_f(dset_id, name_id, reshape(label(pack(homogenizationAt_perIP,.true.)),myShape), &
|
||||
call h5dwrite_f(dset_id, name_id, reshape(label(pack(homogenizationAtMaterialpoint,.true.)),myShape), &
|
||||
myShape, ierr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
|
||||
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5dwrite_f/name_id')
|
||||
call h5dwrite_f(dset_id, position_id, reshape(pack(memberAt_total,.true.),myShape), &
|
||||
call h5dwrite_f(dset_id, position_id, reshape(pack(memberAtGlobal,.true.),myShape), &
|
||||
myShape, ierr, file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
|
||||
if (ierr < 0) call IO_error(1,ext_msg='results_mapping_materialpoint: h5dwrite_f/position_id')
|
||||
|
||||
|
|
Loading…
Reference in New Issue