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Merge branch 'development' into fix_homogenization_restart

This commit is contained in:
Vitesh Shah 2021-02-22 10:41:01 +01:00
parent 6a296b276d 36db53f260
commit 68d8aecb2b
73 changed files with 2546 additions and 2759 deletions
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2
VERSION
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@ -1 +1 @@
v3.0.0-alpha2-407-g47f52b909
v3.0.0-alpha2-478-gc9e4dc21f

9
examples/SpectralMethod/Polycrystal/shearXY.yaml
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@ -1,9 +0,0 @@
step:
- mechanics:
dot_F: [0, 0, 0,
1e-3, 0, 0,
0, 0, 0]
discretization:
t: 60
N: 120
f_out: 20

10
examples/SpectralMethod/Polycrystal/shearZX.yaml
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@ -1,10 +0,0 @@
---
step:
- mechanics:
dot_F: [0, 0, 1e-3,
0, 0, 0,
0, 0, 0]
discretization:
t: 60
N: 120
f_out: 20

25
examples/SpectralMethod/Polycrystal/tensionX.yaml
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@ -1,25 +0,0 @@
---
step:
- mechanics:
dot_F: [1.0e-3, 0, 0,
0, x, 0,
0, 0, x]
P: [x, x, x,
x, 0, x,
x, x, 0]
discretization:
t: 10
N: 40
f_out: 4
- mechanics:
dot_F: [1.0e-3, 0, 0,
0, x, 0,
0, 0, x]
P: [x, x, x,
x, 0, x,
x, x, 0]
discretization:
t: 60
N: 60
f_out: 4

0
examples/SpectralMethod/Polycrystal/20grains.seeds → examples/grid/20grains.seeds
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0
examples/SpectralMethod/Polycrystal/20grains16x16x16.vtr → examples/grid/20grains16x16x16.vtr
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0
examples/SpectralMethod/Polycrystal/20grains32x32x32.vtr → examples/grid/20grains32x32x32.vtr
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0
examples/SpectralMethod/Polycrystal/20grains64x64x64.vtr → examples/grid/20grains64x64x64.vtr
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42
examples/SpectralMethod/Polycrystal/material.yaml → examples/grid/material.yaml
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@ -2,108 +2,108 @@
homogenization:
SX:
N_constituents: 1
mechanics: {type: none}
mechanics: {type: pass}
material:
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [1.0, 0.0, 0.0, 0.0]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.7936696712125002, -0.28765777461664166, -0.3436487135089419, 0.4113964260949434]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.28645844315788244, -0.022571491243423537, -0.467933059311115, -0.8357456192708106]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.33012772942625784, -0.6781865350268957, 0.6494525351030648, 0.09638521992649676]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.43596817439583935, -0.5982537129781701, 0.046599032277502436, 0.6707106499919265]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.169734823419553, -0.699615227367322, -0.6059581215838098, -0.33844257746495854]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.9698864809294915, 0.1729052643205874, -0.15948307917616958, 0.06315956884687175]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.46205660912967883, 0.3105054068891252, -0.617849551030653, 0.555294529545738]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.4512443497461787, -0.7636045534540555, -0.04739348426715133, -0.45939142396805815]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.2161856212656443, -0.6581450184826598, -0.5498086209601588, 0.4667112513346289]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.8753220715350803, -0.4561599367657419, -0.13298279533852678, -0.08969369719975541]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.11908260752431069, 0.18266024809834172, -0.7144822594012615, -0.664807992845101]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.751104669484278, 0.5585633382623958, -0.34579336397009175, 0.06538900566860861]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.08740438971703973, 0.8991264096610437, -0.4156704205935976, 0.10559485570696363]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.5584325870096193, 0.6016408353068798, -0.14280340445801173, 0.5529814994483859]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.4052725440888093, 0.25253073423599154, 0.5693263597910454, -0.669215876471182]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.7570164606888676, 0.15265448024694664, -0.5998021466848317, 0.20942796551297105]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.6987659297138081, -0.132172211261028, -0.19693254724422338, 0.6748883269678543]
- homogenization: SX
constituents:
- phase: Aluminum
fraction: 1.0
v: 1.0
O: [0.7729330445886478, 0.21682179052722322, -0.5207379472917645, 0.2905078484066341]
phase:

0
examples/SpectralMethod/Polycrystal/numerics.yaml → examples/grid/numerics.yaml
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15
examples/grid/shearXY.yaml Normal file
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@ -0,0 +1,15 @@
---
solver:
mechanical: spectral_basic
loadstep:
- boundary_conditions:
mechanical:
dot_F: [0, 0, 0,
1e-3, 0, 0,
0, 0, 0]
discretization:
t: 60
N: 120
f_out: 20

15
examples/grid/shearZX.yaml Normal file
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@ -0,0 +1,15 @@
---
solver:
mechanical: spectral_basic
loadstep:
- boundary_conditions:
mechanical:
dot_F: [0, 0, 1e-3,
0, 0, 0,
0, 0, 0]
discretization:
t: 60
N: 120
f_out: 20

30
examples/grid/tensionX.yaml Normal file
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@ -0,0 +1,30 @@
---
solver:
mechanical: spectral_basic
loadstep:
- boundary_conditions:
mechanical:
dot_F: [1.0e-3, 0, 0,
0, x, 0,
0, 0, x]
P: [x, x, x,
x, 0, x,
x, x, 0]
discretization:
t: 10
N: 40
f_out: 4
- boundary_conditions:
mechanical:
dot_F: [1.0e-3, 0, 0,
0, x, 0,
0, 0, x]
P: [x, x, x,
x, 0, x,
x, x, 0]
discretization:
t: 60
N: 60
f_out: 4

81
python/damask/_colormap.py
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@ -223,25 +223,46 @@ class Colormap(mpl.colors.ListedColormap):
return Colormap(np.array(rev.colors),rev.name[:-4] if rev.name.endswith('_r_r') else rev.name)
def _get_file_handle(self,fname,extension):
"""
Provide file handle.
Parameters
----------
fname : file, str, pathlib.Path, or None
Filename or filehandle, will be name of the colormap+extension if None.
extension: str
Extension of the filename.
Returns
-------
f
File handle
"""
if fname is None:
fhandle = open(self.name.replace(' ','_')+'.'+extension,'w',newline='\n')
else:
try:
fhandle = open(fname,'w',newline='\n')
except TypeError:
fhandle = fname
return fhandle
def save_paraview(self,fname=None):
"""
Save as JSON file for use in Paraview.
Parameters
----------
fname : file, str, or pathlib.Path, optional.
fname : file, str, or pathlib.Path, optional
Filename to store results. If not given, the filename will
consist of the name of the colormap and extension '.json'.
"""
if fname is None:
fhandle = None
else:
try:
fhandle = open(fname,'w')
except TypeError:
fhandle = fname
colors = []
for i,c in enumerate(np.round(self.colors,6).tolist()):
colors+=[i]+c
@ -254,8 +275,7 @@ class Colormap(mpl.colors.ListedColormap):
'RGBPoints':colors
}]
with open(self.name.replace(' ','_')+'.json', 'w') if fhandle is None else fhandle as f:
json.dump(out, f,indent=4)
json.dump(out,self._get_file_handle(fname,'json'),indent=4)
def save_ASCII(self,fname=None):
@ -264,24 +284,14 @@ class Colormap(mpl.colors.ListedColormap):
Parameters
----------
fname : file, str, or pathlib.Path, optional.
fname : file, str, or pathlib.Path, optional
Filename to store results. If not given, the filename will
consist of the name of the colormap and extension '.txt'.
"""
if fname is None:
fhandle = None
else:
try:
fhandle = open(fname,'w')
except TypeError:
fhandle = fname
labels = {'RGBA':4} if self.colors.shape[1] == 4 else {'RGB': 3}
t = Table(self.colors,labels,f'Creator: {util.execution_stamp("Colormap")}')
with open(self.name.replace(' ','_')+'.txt', 'w') if fhandle is None else fhandle as f:
t.save(f)
t.save(self._get_file_handle(fname,'txt'))
def save_GOM(self,fname=None):
@ -290,26 +300,19 @@ class Colormap(mpl.colors.ListedColormap):
Parameters
----------
fname : file, str, or pathlib.Path, optional.
fname : file, str, or pathlib.Path, optional
Filename to store results. If not given, the filename will
consist of the name of the colormap and extension '.legend'.
"""
if fname is None:
fhandle = None
else:
try:
fhandle = open(fname,'w')
except TypeError:
fhandle = fname
# ToDo: test in GOM
GOM_str = '1 1 {name} 9 {name} '.format(name=self.name.replace(" ","_")) \
+ '0 1 0 3 0 0 -1 9 \\ 0 0 0 255 255 255 0 0 255 ' \
+ f'30 NO_UNIT 1 1 64 64 64 255 1 0 0 0 0 0 0 3 0 {len(self.colors)}' \
+ ' '.join([f' 0 {c[0]} {c[1]} {c[2]} 255 1' for c in reversed((self.colors*255).astype(int))]) \
+ '\n'
with open(self.name.replace(' ','_')+'.legend', 'w') if fhandle is None else fhandle as f:
f.write(GOM_str)
self._get_file_handle(fname,'legend').write(GOM_str)
def save_gmsh(self,fname=None):
@ -318,24 +321,16 @@ class Colormap(mpl.colors.ListedColormap):
Parameters
----------
fname : file, str, or pathlib.Path, optional.
fname : file, str, or pathlib.Path, optional
Filename to store results. If not given, the filename will
consist of the name of the colormap and extension '.msh'.
"""
if fname is None:
fhandle = None
else:
try:
fhandle = open(fname,'w')
except TypeError:
fhandle = fname
# ToDo: test in gmsh
gmsh_str = 'View.ColorTable = {\n' \
+'\n'.join([f'{c[0]},{c[1]},{c[2]},' for c in self.colors[:,:3]*255]) \
+'\n}\n'
with open(self.name.replace(' ','_')+'.msh', 'w') if fhandle is None else fhandle as f:
f.write(gmsh_str)
self._get_file_handle(fname,'msh').write(gmsh_str)
@staticmethod

2
python/damask/_config.py
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@ -75,7 +75,7 @@ class Config(dict):
"""
try:
fhandle = open(fname,'w')
fhandle = open(fname,'w',newline='\n')
except TypeError:
fhandle = fname

26
python/damask/_configmaterial.py
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@ -74,12 +74,12 @@ class ConfigMaterial(Config):
material:
- constituents:
- O: [0.19, 0.8, 0.24, -0.51]
fraction: 1.0
v: 1.0
phase: Aluminum
homogenization: SX
- constituents:
- O: [0.8, 0.19, 0.24, -0.51]
fraction: 1.0
v: 1.0
phase: Steel
homogenization: SX
homogenization: {}
@ -168,11 +168,11 @@ class ConfigMaterial(Config):
ok = False
if 'material' in self:
for i,v in enumerate(self['material']):
if 'constituents' in v:
f = 0.0
for c in v['constituents']:
f+= float(c['fraction'])
for i,m in enumerate(self['material']):
if 'constituents' in m:
v = 0.0
for c in m['constituents']:
v+= float(c['v'])
if 'O' in c:
try:
Rotation.from_quaternion(c['O'])
@ -180,8 +180,8 @@ class ConfigMaterial(Config):
o = c['O']
print(f"Invalid orientation: '{o}' in material '{i}'")
ok = False
if not np.isclose(f,1.0):
print(f"Invalid total fraction '{f}' in material '{i}'")
if not np.isclose(v,1.0):
print(f"Invalid total fraction (v) '{v}' in material '{i}'")
ok = False
return ok
@ -257,17 +257,17 @@ class ConfigMaterial(Config):
material:
- constituents:
- O: [0.577764, -0.146299, -0.617669, 0.513010]
fraction: 1.0
v: 1.0
phase: Aluminum
homogenization: SX
- constituents:
- O: [0.184176, 0.340305, 0.737247, 0.553840]
fraction: 1.0
v: 1.0
phase: Steel
homogenization: SX
- constituents:
- O: [0.0886257, -0.144848, 0.615674, -0.769487]
fraction: 1.0
v: 1.0
phase: Aluminum
homogenization: SX
homogenization: {}
@ -312,7 +312,7 @@ class ConfigMaterial(Config):
if hasattr(v,'__len__') and not isinstance(v,str): N_material = len(v)
if N == 1:
m = [[{'fraction':1.0}] for _ in range(N_material)]
m = [[{'v':1.0}] for _ in range(N_material)]
for k,v in kwargs.items():
if hasattr(v,'__len__') and not isinstance(v,str):
if len(v) != N_material:

95
python/damask/_orientation.py
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@ -1,3 +1,5 @@
import inspect
import numpy as np
from . import Rotation
@ -7,7 +9,7 @@ from . import tensor
_parameter_doc = \
"""lattice : str
Either a crystal family out of [triclinic, monoclinic, orthorhombic, tetragonal, hexagonal, cubic]
or a Bravais lattice out of [aP, mP, mS, oP, oS, oI, oF, tP, tI, hP, cP, cI, cF].
or a Bravais lattice out of [aP, mP, mS, oP, oS, oI, oF, tP, tI, hP, cP, cI, cF].
When specifying a Bravais lattice, additional lattice parameters might be required:
a : float, optional
Length of lattice parameter "a".
@ -107,8 +109,7 @@ class Orientation(Rotation):
lattice = None,
a = None,b = None,c = None,
alpha = None,beta = None,gamma = None,
degrees = False,
**kwargs):
degrees = False):
"""
Initialize orientation object.
@ -263,70 +264,112 @@ class Orientation(Rotation):
raise TypeError('Use "O@b", i.e. matmul, to apply Orientation "O" to object "b"')
@staticmethod
def _split_kwargs(kwargs,target):
"""
Separate keyword arguments in 'kwargs' targeted at 'target' from general keyword arguments of Orientation objects.
Parameters
----------
kwargs : dictionary
Contains all **kwargs.
target: method
Function to scan for kwarg signature.
Returns
-------
rot_kwargs: dictionary
Valid keyword arguments of 'target' function of Rotation class.
ori_kwargs: dictionary
Valid keyword arguments of Orientation object.
"""
kws = ()
for t in (target,Orientation.__init__):
kws += ({key: kwargs[key] for key in set(inspect.signature(t).parameters) & set(kwargs)},)
invalid_keys = set(kwargs)-(set(kws[0])|set(kws[1]))
if invalid_keys:
raise TypeError(f"{inspect.stack()[1][3]}() got an unexpected keyword argument '{invalid_keys.pop()}'")
return kws
@classmethod
@util.extended_docstring(Rotation.from_random,_parameter_doc)
def from_random(cls,**kwargs):
return cls(rotation=Rotation.from_random(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_random)
return cls(rotation=Rotation.from_random(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_quaternion,_parameter_doc)
def from_quaternion(cls,**kwargs):
return cls(rotation=Rotation.from_quaternion(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_quaternion)
return cls(rotation=Rotation.from_quaternion(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_Euler_angles,_parameter_doc)
def from_Euler_angles(cls,**kwargs):
return cls(rotation=Rotation.from_Euler_angles(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_Euler_angles)
return cls(rotation=Rotation.from_Euler_angles(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_axis_angle,_parameter_doc)
def from_axis_angle(cls,**kwargs):
return cls(rotation=Rotation.from_axis_angle(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_axis_angle)
return cls(rotation=Rotation.from_axis_angle(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_basis,_parameter_doc)
def from_basis(cls,**kwargs):
return cls(rotation=Rotation.from_basis(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_basis)
return cls(rotation=Rotation.from_basis(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_matrix,_parameter_doc)
def from_matrix(cls,**kwargs):
return cls(rotation=Rotation.from_matrix(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_matrix)
return cls(rotation=Rotation.from_matrix(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_Rodrigues_vector,_parameter_doc)
def from_Rodrigues_vector(cls,**kwargs):
return cls(rotation=Rotation.from_Rodrigues_vector(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_Rodrigues_vector)
return cls(rotation=Rotation.from_Rodrigues_vector(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_homochoric,_parameter_doc)
def from_homochoric(cls,**kwargs):
return cls(rotation=Rotation.from_homochoric(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_homochoric)
return cls(rotation=Rotation.from_homochoric(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_cubochoric,_parameter_doc)
def from_cubochoric(cls,**kwargs):
return cls(rotation=Rotation.from_cubochoric(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_cubochoric)
return cls(rotation=Rotation.from_cubochoric(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_spherical_component,_parameter_doc)
def from_spherical_component(cls,**kwargs):
return cls(rotation=Rotation.from_spherical_component(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_spherical_component)
return cls(rotation=Rotation.from_spherical_component(**kwargs_rot),**kwargs_ori)
@classmethod
@util.extended_docstring(Rotation.from_fiber_component,_parameter_doc)
def from_fiber_component(cls,**kwargs):
return cls(rotation=Rotation.from_fiber_component(**kwargs),**kwargs)
kwargs_rot,kwargs_ori = Orientation._split_kwargs(kwargs,Rotation.from_fiber_component)
return cls(rotation=Rotation.from_fiber_component(**kwargs_rot),**kwargs_ori)
@classmethod
@ -481,26 +524,26 @@ class Orientation(Rotation):
if self.family is None:
raise ValueError('Missing crystal symmetry')
rho_abs = np.abs(self.as_Rodrigues_vector(compact=True))
rho_abs = np.abs(self.as_Rodrigues_vector(compact=True))*(1.-1.e-9)
with np.errstate(invalid='ignore'):
# using '*'/prod for 'and'
if self.family == 'cubic':
return (np.prod(np.sqrt(2)-1. >= rho_abs,axis=-1) *
(1. >= np.sum(rho_abs,axis=-1))).astype(np.bool)
(1. >= np.sum(rho_abs,axis=-1))).astype(bool)
elif self.family == 'hexagonal':
return (np.prod(1. >= rho_abs,axis=-1) *
(2. >= np.sqrt(3)*rho_abs[...,0] + rho_abs[...,1]) *
(2. >= np.sqrt(3)*rho_abs[...,1] + rho_abs[...,0]) *
(2. >= np.sqrt(3) + rho_abs[...,2])).astype(np.bool)
(2. >= np.sqrt(3) + rho_abs[...,2])).astype(bool)
elif self.family == 'tetragonal':
return (np.prod(1. >= rho_abs[...,:2],axis=-1) *
(np.sqrt(2) >= rho_abs[...,0] + rho_abs[...,1]) *
(np.sqrt(2) >= rho_abs[...,2] + 1.)).astype(np.bool)
(np.sqrt(2) >= rho_abs[...,2] + 1.)).astype(bool)
elif self.family == 'orthorhombic':
return (np.prod(1. >= rho_abs,axis=-1)).astype(np.bool)
return (np.prod(1. >= rho_abs,axis=-1)).astype(bool)
elif self.family == 'monoclinic':
return (1. >= rho_abs[...,1]).astype(np.bool)
return (1. >= rho_abs[...,1]).astype(bool)
else:
return np.all(np.isfinite(rho_abs),axis=-1)
@ -524,28 +567,28 @@ class Orientation(Rotation):
if self.family is None:
raise ValueError('Missing crystal symmetry')
rho = self.as_Rodrigues_vector(compact=True)
rho = self.as_Rodrigues_vector(compact=True)*(1.0-1.0e-9)
with np.errstate(invalid='ignore'):
if self.family == 'cubic':
return ((rho[...,0] >= rho[...,1]) &
(rho[...,1] >= rho[...,2]) &
(rho[...,2] >= 0)).astype(np.bool)
(rho[...,2] >= 0)).astype(bool)
elif self.family == 'hexagonal':
return ((rho[...,0] >= rho[...,1]*np.sqrt(3)) &
(rho[...,1] >= 0) &
(rho[...,2] >= 0)).astype(np.bool)
(rho[...,2] >= 0)).astype(bool)
elif self.family == 'tetragonal':
return ((rho[...,0] >= rho[...,1]) &
(rho[...,1] >= 0) &
(rho[...,2] >= 0)).astype(np.bool)
(rho[...,2] >= 0)).astype(bool)
elif self.family == 'orthorhombic':
return ((rho[...,0] >= 0) &
(rho[...,1] >= 0) &
(rho[...,2] >= 0)).astype(np.bool)
(rho[...,2] >= 0)).astype(bool)
elif self.family == 'monoclinic':
return ((rho[...,1] >= 0) &
(rho[...,2] >= 0)).astype(np.bool)
(rho[...,2] >= 0)).astype(bool)
else:
return np.ones_like(rho[...,0],dtype=bool)

2
python/damask/_result.py
View File

@ -1287,7 +1287,7 @@ class Result:
np.prod(shape))}
data_items[-1].text=f'{os.path.split(self.fname)[1]}:{name}'
with open(self.fname.with_suffix('.xdmf').name,'w') as f:
with open(self.fname.with_suffix('.xdmf').name,'w',newline='\n') as f:
f.write(xml.dom.minidom.parseString(ET.tostring(xdmf).decode()).toprettyxml())

44
python/damask/_rotation.py
View File

@ -502,8 +502,8 @@ class Rotation:
Returns
-------
c : numpy.ndarray of shape (...,3)
Cubochoric vector: (c_1, c_2, c_3), max(c_i) < 1/2*π^(2/3).
x : numpy.ndarray of shape (...,3)
Cubochoric vector: (x_1, x_2, x_3), max(x_i) < 1/2*π^(2/3).
"""
return Rotation._qu2cu(self.quaternion)
@ -514,8 +514,7 @@ class Rotation:
@staticmethod
def from_quaternion(q,
accept_homomorph = False,
P = -1,
**kwargs):
P = -1):
"""
Initialize from quaternion.
@ -550,8 +549,7 @@ class Rotation:
@staticmethod
def from_Euler_angles(phi,
degrees = False,
**kwargs):
degrees = False):
"""
Initialize from Bunge-Euler angles.
@ -578,8 +576,7 @@ class Rotation:
def from_axis_angle(axis_angle,
degrees = False,
normalize = False,
P = -1,
**kwargs):
P = -1):
"""
Initialize from Axis angle pair.
@ -616,8 +613,7 @@ class Rotation:
@staticmethod
def from_basis(basis,
orthonormal = True,
reciprocal = False,
**kwargs):
reciprocal = False):
"""
Initialize from lattice basis vectors.
@ -651,7 +647,7 @@ class Rotation:
return Rotation(Rotation._om2qu(om))
@staticmethod
def from_matrix(R,**kwargs):
def from_matrix(R):
"""
Initialize from rotation matrix.
@ -695,8 +691,7 @@ class Rotation:
@staticmethod
def from_Rodrigues_vector(rho,
normalize = False,
P = -1,
**kwargs):
P = -1):
"""
Initialize from Rodrigues-Frank vector (angle separated from axis).
@ -727,8 +722,7 @@ class Rotation:
@staticmethod
def from_homochoric(h,
P = -1,
**kwargs):
P = -1):
"""
Initialize from homochoric vector.
@ -754,21 +748,20 @@ class Rotation:
return Rotation(Rotation._ho2qu(ho))
@staticmethod
def from_cubochoric(c,
P = -1,
**kwargs):
def from_cubochoric(x,
P = -1):
"""
Initialize from cubochoric vector.
Parameters
----------
c : numpy.ndarray of shape (...,3)
Cubochoric vector: (c_1, c_2, c_3), max(c_i) < 1/2*π^(2/3).
x : numpy.ndarray of shape (...,3)
Cubochoric vector: (x_1, x_2, x_3), max(x_i) < 1/2*π^(2/3).
P : int ∈ {-1,1}, optional
Convention used. Defaults to -1.
"""
cu = np.array(c,dtype=float)
cu = np.array(x,dtype=float)
if cu.shape[:-2:-1] != (3,):
raise ValueError('Invalid shape.')
if abs(P) != 1:
@ -784,8 +777,7 @@ class Rotation:
@staticmethod
def from_random(shape = None,
rng_seed = None,
**kwargs):
rng_seed = None):
"""
Draw random rotation.
@ -878,8 +870,7 @@ class Rotation:
sigma,
N = 500,
degrees = True,
rng_seed = None,
**kwargs):
rng_seed = None):
"""
Calculate set of rotations with Gaussian distribution around center.
@ -915,8 +906,7 @@ class Rotation:
sigma = 0.0,
N = 500,
degrees = True,
rng_seed = None,
**kwargs):
rng_seed = None):
"""
Calculate set of rotations with Gaussian distribution around direction.

4
python/damask/_table.py
View File

@ -26,7 +26,7 @@ class Table:
comments_ = [comments] if isinstance(comments,str) else comments
self.comments = [] if comments_ is None else [c for c in comments_]
self.data = pd.DataFrame(data=data)
self.shapes = { k:(v,) if isinstance(v,(np.int,int)) else v for k,v in shapes.items() }
self.shapes = { k:(v,) if isinstance(v,(np.int64,np.int32,int)) else v for k,v in shapes.items() }
self._label_uniform()
def __repr__(self):
@ -380,7 +380,7 @@ class Table:
[f'# {comment}' for comment in self.comments]
try:
fhandle = open(fname,'w')
fhandle = open(fname,'w',newline='\n')
except TypeError:
fhandle = fname

30
python/damask/_vtk.py
View File

@ -347,23 +347,21 @@ class VTK:
See http://compilatrix.com/article/vtk-1 for further ideas.
"""
def screen_size():
try:
import wx
_ = wx.App(False) # noqa
width, height = wx.GetDisplaySize()
except ImportError:
try:
import wx
_ = wx.App(False) # noqa
width, height = wx.GetDisplaySize()
except ImportError:
try:
import tkinter
tk = tkinter.Tk()
width = tk.winfo_screenwidth()
height = tk.winfo_screenheight()
tk.destroy()
except Exception as e:
width = 1024
height = 768
import tkinter
tk = tkinter.Tk()
width = tk.winfo_screenwidth()
height = tk.winfo_screenheight()
tk.destroy()
except Exception as e:
width = 1024
height = 768
return (width,height)
mapper = vtk.vtkDataSetMapper()
mapper.SetInputData(self.vtk_data)
actor = vtk.vtkActor()
@ -377,7 +375,7 @@ class VTK:
ren.AddActor(actor)
ren.SetBackground(0.2,0.2,0.2)
window.SetSize(screen_size[0],screen_size[1])
window.SetSize(width,height)
iren = vtk.vtkRenderWindowInteractor()
iren.SetRenderWindow(window)

2
python/damask/solver/_marc.py
View File

@ -66,7 +66,7 @@ class Marc:
if logfile is not None:
try:
f = open(logfile,'w+')
f = open(logfile,'w+',newline='\n')
except TypeError:
f = logfile
else:

12
python/tests/reference/ConfigMaterial/material.yaml
View File

@ -1,32 +1,32 @@
homogenization:
SX:
N_constituents: 1
mechanics: {type: none}
mechanics: {type: pass}
Taylor:
N_constituents: 2
mechanics: {type: isostrain}
material:
- constituents:
- fraction: 1.0
- v: 1.0
O: [1.0, 0.0, 0.0, 0.0]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.7936696712125002, -0.28765777461664166, -0.3436487135089419, 0.4113964260949434]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 1.0
- v: 1.0
O: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
phase: Aluminum
homogenization: SX
- constituents:
- fraction: 0.5
- v: 0.5
O: [0.28645844315788244, -0.022571491243423537, -0.467933059311115, -0.8357456192708106]
phase: Aluminum
- fraction: 0.5
- v: 0.5
O: [0.3986143167493579, -0.7014883552495493, 0.2154871765709027, 0.5500781677772945]
phase: Steel
homogenization: Taylor

2
python/tests/test_ConfigMaterial.py
View File

@ -42,7 +42,7 @@ class TestConfigMaterial:
def test_invalid_fraction(self,ref_path):
material_config = ConfigMaterial.load(ref_path/'material.yaml')
material_config['material'][0]['constituents'][0]['fraction']=.9
material_config['material'][0]['constituents'][0]['v']=.9
assert not material_config.is_valid
@pytest.mark.parametrize('item',['homogenization','phase','material'])

30
python/tests/test_Orientation.py
View File

@ -7,6 +7,7 @@ from damask import Orientation
from damask import Table
from damask import lattice
from damask import util
from damask import grid_filters
@pytest.fixture
@ -118,7 +119,7 @@ class TestOrientation:
== np.eye(3))
def test_from_cubochoric(self):
assert np.all(Orientation.from_cubochoric(c=np.zeros(3),lattice='triclinic').as_matrix()
assert np.all(Orientation.from_cubochoric(x=np.zeros(3),lattice='triclinic').as_matrix()
== np.eye(3))
def test_from_spherical_component(self):
@ -141,7 +142,7 @@ class TestOrientation:
dict(lattice='hP',a=1.0 ),
dict(lattice='cI',a=1.0, ),
])
def test_from_direction(self,kwargs):
def test_from_directions(self,kwargs):
for a,b in np.random.random((10,2,3)):
c = np.cross(b,a)
if np.all(np.isclose(c,0)): continue
@ -151,6 +152,21 @@ class TestOrientation:
assert np.isclose(np.dot(x/np.linalg.norm(x),np.array([1,0,0])),1) \
and np.isclose(np.dot(z/np.linalg.norm(z),np.array([0,0,1])),1)
@pytest.mark.parametrize('function',[Orientation.from_random,
Orientation.from_quaternion,
Orientation.from_Euler_angles,
Orientation.from_axis_angle,
Orientation.from_basis,
Orientation.from_matrix,
Orientation.from_Rodrigues_vector,
Orientation.from_homochoric,
Orientation.from_cubochoric,
Orientation.from_spherical_component,
Orientation.from_fiber_component,
Orientation.from_directions])
def test_invalid_from(self,function):
with pytest.raises(TypeError):
function(c=.1,degrees=True,invalid=66)
def test_negative_angle(self):
with pytest.raises(ValueError):
@ -221,6 +237,16 @@ class TestOrientation:
for r, theO in zip(o.reduced.flatten(),o.flatten()):
assert r == theO.reduced
@pytest.mark.parametrize('lattice',Orientation.crystal_families)
def test_reduced_corner_cases(self,lattice):
# test whether there is always a sym-eq rotation that falls into the FZ
N = np.random.randint(10,40)
size = np.ones(3)*np.pi**(2./3.)
grid = grid_filters.coordinates0_node([N+1,N+1,N+1],size,-size*.5)
evenly_distributed = Orientation.from_cubochoric(x=grid[:-2,:-2,:-2],lattice=lattice)
assert evenly_distributed.shape == evenly_distributed.reduced.shape
@pytest.mark.parametrize('lattice',Orientation.crystal_families)
@pytest.mark.parametrize('shape',[(1),(2,3),(4,3,2)])
@pytest.mark.parametrize('vector',np.array([[1,0,0],[1,2,3],[-1,1,-1]]))

6
src/CPFEM.f90
View File

@ -85,7 +85,7 @@ subroutine CPFEM_initAll
call discretization_marc_init
call lattice_init
call material_init(.false.)
call constitutive_init
call phase_init
call homogenization_init
call crystallite_init
call CPFEM_init
@ -257,7 +257,7 @@ end subroutine CPFEM_general
subroutine CPFEM_forward
call homogenization_forward
call constitutive_forward
call phase_forward
end subroutine CPFEM_forward
@ -272,7 +272,7 @@ subroutine CPFEM_results(inc,time)
call results_openJobFile
call results_addIncrement(inc,time)
call constitutive_results
call phase_results
call homogenization_results
call discretization_results
call results_finalizeIncrement

10
src/CPFEM2.f90
View File

@ -60,7 +60,7 @@ subroutine CPFEM_initAll
call discretization_grid_init(restart=interface_restartInc>0)
#endif
call material_init(restart=interface_restartInc>0)
call constitutive_init
call phase_init
call homogenization_init
call crystallite_init
call CPFEM_init
@ -87,7 +87,7 @@ subroutine CPFEM_init
fileHandle = HDF5_openFile(fileName)
call homogenization_restartRead(fileHandle)
call constitutive_restartRead(fileHandle)
call phase_restartRead(fileHandle)
call HDF5_closeFile(fileHandle)
endif
@ -110,7 +110,7 @@ subroutine CPFEM_restartWrite
fileHandle = HDF5_openFile(fileName,'a')
call homogenization_restartWrite(fileHandle)
call constitutive_restartWrite(fileHandle)
call phase_restartWrite(fileHandle)
call HDF5_closeFile(fileHandle)
@ -123,7 +123,7 @@ end subroutine CPFEM_restartWrite
subroutine CPFEM_forward
call homogenization_forward
call constitutive_forward
call phase_forward
end subroutine CPFEM_forward
@ -138,7 +138,7 @@ subroutine CPFEM_results(inc,time)
call results_openJobFile
call results_addIncrement(inc,time)
call constitutive_results
call phase_results
call homogenization_results
call discretization_results
call results_finalizeIncrement

27
src/IO.f90
View File

@ -65,8 +65,8 @@ end subroutine IO_init
function IO_readlines(fileName) result(fileContent)
character(len=*), intent(in) :: fileName
character(len=pStringLen), dimension(:), allocatable :: fileContent !< file content, separated per lines
character(len=pStringLen) :: line
character(len=:), allocatable :: rawData
integer :: &
@ -75,6 +75,7 @@ function IO_readlines(fileName) result(fileContent)
l
logical :: warned
rawData = IO_read(fileName)
!--------------------------------------------------------------------------------------------------
@ -112,16 +113,21 @@ end function IO_readlines
!--------------------------------------------------------------------------------------------------
!> @brief Read whole file.
!> @details ensures that the string ends with a new line (expected UNIX behavior)
!> @details ensures that the string ends with a new line (expected UNIX behavior) and rejects
! windows (CRLF) line endings
!--------------------------------------------------------------------------------------------------
function IO_read(fileName) result(fileContent)
character(len=*), intent(in) :: fileName
character(len=:), allocatable :: fileContent
integer :: &
fileLength, &
fileUnit, &
myStat
myStat, &
firstEOL
character, parameter :: CR = achar(13)
inquire(file = fileName, size=fileLength)
open(newunit=fileUnit, file=fileName, access='stream',&
@ -137,8 +143,12 @@ function IO_read(fileName) result(fileContent)
if(myStat /= 0) call IO_error(102,ext_msg=trim(fileName))
close(fileUnit)
if(fileContent(fileLength:fileLength) /= IO_EOL) fileContent = fileContent//IO_EOL ! ensure EOL@EOF
firstEOL = index(fileContent,IO_EOL)
if(scan(fileContent(firstEOL:firstEOL),CR) /= 0) call IO_error(115)
end function IO_read
@ -151,6 +161,7 @@ logical pure function IO_isBlank(string)
integer :: posNonBlank
posNonBlank = verify(string,IO_WHITESPACE)
IO_isBlank = posNonBlank == 0 .or. posNonBlank == scan(string,IO_COMMENT)
@ -170,6 +181,7 @@ pure function IO_stringPos(string)
integer :: left, right
allocate(IO_stringPos(1), source=0)
right = 0
@ -249,6 +261,7 @@ pure function IO_lc(string)
integer :: i,n
do i=1,len(string)
n = index(UPPER,string(i:i))
if(n/=0) then
@ -271,6 +284,7 @@ function IO_rmComment(line)
character(len=:), allocatable :: IO_rmComment
integer :: split
split = index(line,IO_COMMENT)
if (split == 0) then
@ -292,6 +306,7 @@ integer function IO_stringAsInt(string)
integer :: readStatus
character(len=*), parameter :: VALIDCHARS = '0123456789+- '
valid: if (verify(string,VALIDCHARS) == 0) then
read(string,*,iostat=readStatus) IO_stringAsInt
if (readStatus /= 0) call IO_error(111,ext_msg=string)
@ -313,6 +328,7 @@ real(pReal) function IO_stringAsFloat(string)
integer :: readStatus
character(len=*), parameter :: VALIDCHARS = '0123456789eE.+- '
valid: if (verify(string,VALIDCHARS) == 0) then
read(string,*,iostat=readStatus) IO_stringAsFloat
if (readStatus /= 0) call IO_error(112,ext_msg=string)
@ -331,6 +347,7 @@ logical function IO_stringAsBool(string)
character(len=*), intent(in) :: string !< string for conversion to int value
if (trim(adjustl(string)) == 'True' .or. trim(adjustl(string)) == 'true') then
IO_stringAsBool = .true.
elseif (trim(adjustl(string)) == 'False' .or. trim(adjustl(string)) == 'false') then
@ -356,6 +373,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
character(len=:), allocatable :: msg
character(len=pStringLen) :: formatString
select case (error_ID)
!--------------------------------------------------------------------------------------------------
@ -382,6 +400,9 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
msg = 'invalid character for logical:'
case (114)
msg = 'cannot decode base64 string:'
case (115)
msg = 'found CR. Windows file endings (CRLF) are not supported.'
!--------------------------------------------------------------------------------------------------
! lattice error messages

36
src/commercialFEM_fileList.f90
View File

@ -20,19 +20,19 @@
#include "material.f90"
#include "lattice.f90"
#include "phase.f90"
#include "phase_mechanics.f90"
#include "phase_mechanics_plastic.f90"
#include "phase_mechanics_plastic_none.f90"
#include "phase_mechanics_plastic_isotropic.f90"
#include "phase_mechanics_plastic_phenopowerlaw.f90"
#include "phase_mechanics_plastic_kinehardening.f90"
#include "phase_mechanics_plastic_dislotwin.f90"
#include "phase_mechanics_plastic_dislotungsten.f90"
#include "phase_mechanics_plastic_nonlocal.f90"
#include "phase_mechanics_eigendeformation.f90"
#include "phase_mechanics_eigendeformation_cleavageopening.f90"
#include "phase_mechanics_eigendeformation_slipplaneopening.f90"
#include "phase_mechanics_eigendeformation_thermalexpansion.f90"
#include "phase_mechanical.f90"
#include "phase_mechanical_plastic.f90"
#include "phase_mechanical_plastic_none.f90"
#include "phase_mechanical_plastic_isotropic.f90"
#include "phase_mechanical_plastic_phenopowerlaw.f90"
#include "phase_mechanical_plastic_kinehardening.f90"
#include "phase_mechanical_plastic_dislotwin.f90"
#include "phase_mechanical_plastic_dislotungsten.f90"
#include "phase_mechanical_plastic_nonlocal.f90"
#include "phase_mechanical_eigen.f90"
#include "phase_mechanical_eigen_cleavageopening.f90"
#include "phase_mechanical_eigen_slipplaneopening.f90"
#include "phase_mechanical_eigen_thermalexpansion.f90"
#include "phase_thermal.f90"
#include "phase_thermal_dissipation.f90"
#include "phase_thermal_externalheat.f90"
@ -41,13 +41,11 @@
#include "phase_damage_isoductile.f90"
#include "phase_damage_anisobrittle.f90"
#include "phase_damage_anisoductile.f90"
#include "damage_none.f90"
#include "damage_nonlocal.f90"
#include "homogenization.f90"
#include "homogenization_mechanics.f90"
#include "homogenization_mechanics_none.f90"
#include "homogenization_mechanics_isostrain.f90"
#include "homogenization_mechanics_RGC.f90"
#include "homogenization_mechanical.f90"
#include "homogenization_mechanical_pass.f90"
#include "homogenization_mechanical_isostrain.f90"
#include "homogenization_mechanical_RGC.f90"
#include "homogenization_thermal.f90"
#include "homogenization_damage.f90"
#include "CPFEM.f90"

23
src/config.f90
View File

@ -5,16 +5,10 @@
!! precedence over material.yaml.
!--------------------------------------------------------------------------------------------------
module config
use prec
use DAMASK_interface
use IO
use YAML_parse
use YAML_types
#ifdef PETSc
#include <petsc/finclude/petscsys.h>
use petscsys
#endif
implicit none
private
@ -50,17 +44,12 @@ end subroutine config_init
subroutine parse_material
logical :: fileExists
character(len=:), allocatable :: fname
fname = getSolverJobName()//'.yaml'
inquire(file=fname,exist=fileExists)
if(.not. fileExists) then
fname = 'material.yaml'
inquire(file=fname,exist=fileExists)
if(.not. fileExists) call IO_error(100,ext_msg=fname)
endif
print*, 'reading '//fname; flush(IO_STDOUT)
config_material => YAML_parse_file(fname)
inquire(file='material.yaml',exist=fileExists)
if(.not. fileExists) call IO_error(100,ext_msg='material.yaml')
print*, 'reading material.yaml'; flush(IO_STDOUT)
config_material => YAML_parse_file('material.yaml')
end subroutine parse_material
@ -72,6 +61,7 @@ subroutine parse_numerics
logical :: fexist
config_numerics => emptyDict
inquire(file='numerics.yaml', exist=fexist)
if (fexist) then
@ -89,6 +79,7 @@ subroutine parse_debug
logical :: fexist
config_debug => emptyDict
inquire(file='debug.yaml', exist=fexist)
fileExists: if (fexist) then

38
src/damage_none.f90
View File

@ -1,38 +0,0 @@
!--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine for constant damage field
!--------------------------------------------------------------------------------------------------
module damage_none
use prec
use config
use material
implicit none
public
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields, reads information from material configuration file
!--------------------------------------------------------------------------------------------------
subroutine damage_none_init
integer :: h,Nmaterialpoints
print'(/,a)', ' <<<+- damage_none init -+>>>'; flush(6)
do h = 1, size(material_name_homogenization)
if (damage_type(h) /= DAMAGE_NONE_ID) cycle
Nmaterialpoints = count(material_homogenizationAt == h)
damageState_h(h)%sizeState = 0
allocate(damageState_h(h)%state0 (0,Nmaterialpoints))
allocate(damageState_h(h)%state (0,Nmaterialpoints))
allocate (damage(h)%p(Nmaterialpoints), source=1.0_pReal)
enddo
end subroutine damage_none_init
end module damage_none

94
src/damage_nonlocal.f90
View File

@ -1,94 +0,0 @@
!--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine for non-locally evolving damage field
!--------------------------------------------------------------------------------------------------
module damage_nonlocal
use prec
use material
use config
use YAML_types
use lattice
use phase
use results
implicit none
private
type, private :: tNumerics
real(pReal) :: &
charLength !< characteristic length scale for gradient problems
end type tNumerics
type(tNumerics), private :: &
num
public :: &
damage_nonlocal_init, &
damage_nonlocal_getDiffusion
contains
!--------------------------------------------------------------------------------------------------
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine damage_nonlocal_init
integer :: Ninstances,Nmaterialpoints,h
class(tNode), pointer :: &
num_generic, &
material_homogenization
print'(/,a)', ' <<<+- damage_nonlocal init -+>>>'; flush(6)
!------------------------------------------------------------------------------------
! read numerics parameter
num_generic => config_numerics%get('generic',defaultVal= emptyDict)
num%charLength = num_generic%get_asFloat('charLength',defaultVal=1.0_pReal)
Ninstances = count(damage_type == DAMAGE_nonlocal_ID)
material_homogenization => config_material%get('homogenization')
do h = 1, material_homogenization%length
if (damage_type(h) /= DAMAGE_NONLOCAL_ID) cycle
Nmaterialpoints = count(material_homogenizationAt == h)
damageState_h(h)%sizeState = 1
allocate(damageState_h(h)%state0 (1,Nmaterialpoints), source=1.0_pReal)
allocate(damageState_h(h)%state (1,Nmaterialpoints), source=1.0_pReal)
damage(h)%p => damageState_h(h)%state(1,:)
enddo
end subroutine damage_nonlocal_init
!--------------------------------------------------------------------------------------------------
!> @brief returns homogenized non local damage diffusion tensor in reference configuration
!--------------------------------------------------------------------------------------------------
function damage_nonlocal_getDiffusion(ip,el)
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
real(pReal), dimension(3,3) :: &
damage_nonlocal_getDiffusion
integer :: &
homog, &
grain
homog = material_homogenizationAt(el)
damage_nonlocal_getDiffusion = 0.0_pReal
do grain = 1, homogenization_Nconstituents(homog)
damage_nonlocal_getDiffusion = damage_nonlocal_getDiffusion + &
crystallite_push33ToRef(grain,ip,el,lattice_D(1:3,1:3,material_phaseAt(grain,el)))
enddo
damage_nonlocal_getDiffusion = &
num%charLength**2*damage_nonlocal_getDiffusion/real(homogenization_Nconstituents(homog),pReal)
end function damage_nonlocal_getDiffusion
end module damage_nonlocal

85
src/grid/DAMASK_grid.f90
View File

@ -18,9 +18,9 @@ program DAMASK_grid
use CPFEM2
use material
use spectral_utilities
use grid_mech_spectral_basic
use grid_mech_spectral_polarisation
use grid_mech_FEM
use grid_mechanical_spectral_basic
use grid_mechanical_spectral_polarisation
use grid_mechanical_FEM
use grid_damage_spectral
use grid_thermal_spectral
use results
@ -36,7 +36,7 @@ program DAMASK_grid
integer :: N, & !< number of increments
f_out, & !< frequency of result writes
f_restart !< frequency of restart writes
logical :: drop_guessing !< do not follow trajectory of former loadcase
logical :: estimate_rate !< follow trajectory of former loadcase
integer(kind(FIELD_UNDEFINED_ID)), allocatable :: ID(:)
end type tLoadCase
@ -83,16 +83,16 @@ program DAMASK_grid
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
type(tSolutionState), allocatable, dimension(:) :: solres
procedure(grid_mech_spectral_basic_init), pointer :: &
mech_init
procedure(grid_mech_spectral_basic_forward), pointer :: &
mech_forward
procedure(grid_mech_spectral_basic_solution), pointer :: &
mech_solution
procedure(grid_mech_spectral_basic_updateCoords), pointer :: &
mech_updateCoords
procedure(grid_mech_spectral_basic_restartWrite), pointer :: &
mech_restartWrite
procedure(grid_mechanical_spectral_basic_init), pointer :: &
mechanical_init
procedure(grid_mechanical_spectral_basic_forward), pointer :: &
mechanical_forward
procedure(grid_mechanical_spectral_basic_solution), pointer :: &
mechanical_solution
procedure(grid_mechanical_spectral_basic_updateCoords), pointer :: &
mechanical_updateCoords
procedure(grid_mechanical_spectral_basic_restartWrite), pointer :: &
mechanical_restartWrite
external :: &
quit
@ -102,6 +102,7 @@ program DAMASK_grid
config_load, &
load_steps, &
load_step, &
step_bc, &
step_mech, &
step_discretization, &
step_deformation, &
@ -138,25 +139,25 @@ program DAMASK_grid
debug_grid => config_debug%get('grid',defaultVal=emptyList)
select case (trim(num_grid%get_asString('solver', defaultVal = 'Basic')))
case ('Basic')
mech_init => grid_mech_spectral_basic_init
mech_forward => grid_mech_spectral_basic_forward
mech_solution => grid_mech_spectral_basic_solution
mech_updateCoords => grid_mech_spectral_basic_updateCoords
mech_restartWrite => grid_mech_spectral_basic_restartWrite
mechanical_init => grid_mechanical_spectral_basic_init
mechanical_forward => grid_mechanical_spectral_basic_forward
mechanical_solution => grid_mechanical_spectral_basic_solution
mechanical_updateCoords => grid_mechanical_spectral_basic_updateCoords
mechanical_restartWrite => grid_mechanical_spectral_basic_restartWrite
case ('Polarisation')
mech_init => grid_mech_spectral_polarisation_init
mech_forward => grid_mech_spectral_polarisation_forward
mech_solution => grid_mech_spectral_polarisation_solution
mech_updateCoords => grid_mech_spectral_polarisation_updateCoords
mech_restartWrite => grid_mech_spectral_polarisation_restartWrite
mechanical_init => grid_mechanical_spectral_polarisation_init
mechanical_forward => grid_mechanical_spectral_polarisation_forward
mechanical_solution => grid_mechanical_spectral_polarisation_solution
mechanical_updateCoords => grid_mechanical_spectral_polarisation_updateCoords
mechanical_restartWrite => grid_mechanical_spectral_polarisation_restartWrite
case ('FEM')
mech_init => grid_mech_FEM_init
mech_forward => grid_mech_FEM_forward
mech_solution => grid_mech_FEM_solution
mech_updateCoords => grid_mech_FEM_updateCoords
mech_restartWrite => grid_mech_FEM_restartWrite
mechanical_init => grid_mechanical_FEM_init
mechanical_forward => grid_mechanical_FEM_forward
mechanical_solution => grid_mechanical_FEM_solution
mechanical_updateCoords => grid_mechanical_FEM_updateCoords
mechanical_restartWrite => grid_mechanical_FEM_restartWrite
case default
call IO_error(error_ID = 891, ext_msg = trim(num_grid%get_asString('solver')))
@ -168,7 +169,7 @@ program DAMASK_grid
! reading information from load case file and to sanity checks
config_load => YAML_parse_file(trim(interface_loadFile))
load_steps => config_load%get('step')
load_steps => config_load%get('loadstep')
allocate(loadCases(load_steps%length)) ! array of load cases
do l = 1, load_steps%length
@ -186,8 +187,8 @@ program DAMASK_grid
endif damageActive
load_step => load_steps%get(l)
step_mech => load_step%get('mechanics')
step_bc => load_step%get('boundary_conditions')
step_mech => step_bc%get('mechanical')
loadCases(l)%stress%myType=''
readMech: do m = 1, step_mech%length
select case (step_mech%getKey(m))
@ -224,16 +225,16 @@ program DAMASK_grid
loadCases(l)%t = step_discretization%get_asFloat('t')
loadCases(l)%N = step_discretization%get_asInt ('N')
loadCases(l)%r = step_discretization%get_asFloat('r', defaultVal= 1.0_pReal)
loadCases(l)%f_out = step_discretization%get_asInt ('f_out', defaultVal=1)
loadCases(l)%f_restart = step_discretization%get_asInt ('f_restart', defaultVal=huge(0))
loadCases(l)%drop_guessing = (load_step%get_asBool('drop_guessing',defaultVal=.false.) .or. &
merge(.false.,.true.,l > 1))
loadCases(l)%f_out = load_step%get_asInt('f_out', defaultVal=1)
loadCases(l)%estimate_rate = (load_step%get_asBool('estimate_rate',defaultVal=.true.) .and. &
merge(.true.,.false.,l > 1))
reportAndCheck: if (worldrank == 0) then
write (loadcase_string, '(i0)' ) l
print'(/,a,i0)', ' load case: ', l
print*, ' drop_guessing:', loadCases(l)%drop_guessing
print*, ' estimate_rate:', loadCases(l)%estimate_rate
if (loadCases(l)%deformation%myType == 'L') then
do j = 1, 3
if (any(loadCases(l)%deformation%mask(j,1:3) .eqv. .true.) .and. &
@ -302,7 +303,7 @@ program DAMASK_grid
do field = 1, nActiveFields
select case (loadCases(1)%ID(field))
case(FIELD_MECH_ID)
call mech_init
call mechanical_init
case(FIELD_THERMAL_ID)
call grid_thermal_spectral_init
@ -333,7 +334,7 @@ program DAMASK_grid
loadCaseLooping: do l = 1, size(loadCases)
time0 = time ! load case start time
guess = .not. loadCases(l)%drop_guessing ! change of load case? homogeneous guess for the first inc
guess = loadCases(l)%estimate_rate ! change of load case? homogeneous guess for the first inc
incLooping: do inc = 1, loadCases(l)%N
totalIncsCounter = totalIncsCounter + 1
@ -378,7 +379,7 @@ program DAMASK_grid
do field = 1, nActiveFields
select case(loadCases(l)%ID(field))
case(FIELD_MECH_ID)
call mech_forward (&
call mechanical_forward (&
cutBack,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
deformation_BC = loadCases(l)%deformation, &
stress_BC = loadCases(l)%stress, &
@ -398,7 +399,7 @@ program DAMASK_grid
do field = 1, nActiveFields
select case(loadCases(l)%ID(field))
case(FIELD_MECH_ID)
solres(field) = mech_solution(incInfo)
solres(field) = mechanical_solution(incInfo)
case(FIELD_THERMAL_ID)
solres(field) = grid_thermal_spectral_solution(timeinc)
case(FIELD_DAMAGE_ID)
@ -419,7 +420,7 @@ program DAMASK_grid
if ( (all(solres(:)%converged .and. solres(:)%stagConverged)) & ! converged
.and. .not. solres(1)%termIll) then ! and acceptable solution found
call mech_updateCoords
call mechanical_updateCoords
timeIncOld = timeinc
cutBack = .false.
guess = .true. ! start guessing after first converged (sub)inc
@ -462,7 +463,7 @@ program DAMASK_grid
call MPI_Allreduce(interface_SIGUSR2,signal,1,MPI_LOGICAL,MPI_LOR,PETSC_COMM_WORLD,ierr)
if (ierr /= 0) error stop 'MPI error'
if (mod(inc,loadCases(l)%f_restart) == 0 .or. signal) then
call mech_restartWrite
call mechanical_restartWrite
call CPFEM_restartWrite
endif
if(signal) call interface_setSIGUSR2(.false.)

1
src/grid/grid_damage_spectral.f90
View File

@ -15,7 +15,6 @@ module grid_damage_spectral
use IO
use spectral_utilities
use discretization_grid
use damage_nonlocal
use YAML_types
use homogenization
use config

135
src/grid/grid_mech_FEM.f90
View File

@ -4,7 +4,7 @@
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Grid solver for mechanics: FEM
!--------------------------------------------------------------------------------------------------
module grid_mech_FEM
module grid_mechanical_FEM
#include <petsc/finclude/petscsnes.h>
#include <petsc/finclude/petscdmda.h>
use PETScdmda
@ -45,8 +45,8 @@ module grid_mech_FEM
!--------------------------------------------------------------------------------------------------
! PETSc data
DM :: mech_grid
SNES :: mech_snes
DM :: mechanical_grid
SNES :: mechanical_snes
Vec :: solution_current, solution_lastInc, solution_rate
!--------------------------------------------------------------------------------------------------
@ -79,18 +79,18 @@ module grid_mech_FEM
totalIter = 0 !< total iteration in current increment
public :: &
grid_mech_FEM_init, &
grid_mech_FEM_solution, &
grid_mech_FEM_forward, &
grid_mech_FEM_updateCoords, &
grid_mech_FEM_restartWrite
grid_mechanical_FEM_init, &
grid_mechanical_FEM_solution, &
grid_mechanical_FEM_forward, &
grid_mechanical_FEM_updateCoords, &
grid_mechanical_FEM_restartWrite
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
!--------------------------------------------------------------------------------------------------
subroutine grid_mech_FEM_init
subroutine grid_mechanical_FEM_init
real(pReal), parameter :: HGCoeff = 0.0e-2_pReal
real(pReal), parameter, dimension(4,8) :: &
@ -114,7 +114,7 @@ subroutine grid_mech_FEM_init
num_grid, &
debug_grid
print'(/,a)', ' <<<+- grid_mech_FEM init -+>>>'; flush(IO_STDOUT)
print'(/,a)', ' <<<+- grid_mechanical_FEM init -+>>>'; flush(IO_STDOUT)
!-------------------------------------------------------------------------------------------------
! debugging options
@ -141,8 +141,11 @@ subroutine grid_mech_FEM_init
!--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type newtonls -mech_ksp_type fgmres &
&-mech_ksp_max_it 25 -mech_pc_type ml -mech_mg_levels_ksp_type chebyshev',ierr)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS, &
'-mechanical_snes_type newtonls -mechanical_ksp_type fgmres &
&-mechanical_ksp_max_it 25 -mechanical_pc_type ml &
&-mechanical_mg_levels_ksp_type chebyshev', &
ierr)
CHKERRQ(ierr)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asString('petsc_options',defaultVal=''),ierr)
CHKERRQ(ierr)
@ -155,8 +158,10 @@ subroutine grid_mech_FEM_init
!--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,mech_snes,ierr); CHKERRQ(ierr)
call SNESSetOptionsPrefix(mech_snes,'mech_',ierr);CHKERRQ(ierr)
call SNESCreate(PETSC_COMM_WORLD,mechanical_snes,ierr)
CHKERRQ(ierr)
call SNESSetOptionsPrefix(mechanical_snes,'mechanical_',ierr)
CHKERRQ(ierr)
localK = 0
localK(worldrank) = grid3
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
@ -167,34 +172,44 @@ subroutine grid_mech_FEM_init
1, 1, worldsize, &
3, 1, &
[grid(1)],[grid(2)],localK, &
mech_grid,ierr)
mechanical_grid,ierr)
CHKERRQ(ierr)
call SNESSetDM(mech_snes,mech_grid,ierr); CHKERRQ(ierr)
call DMsetFromOptions(mech_grid,ierr); CHKERRQ(ierr)
call DMsetUp(mech_grid,ierr); CHKERRQ(ierr)
call DMDASetUniformCoordinates(mech_grid,0.0_pReal,geomSize(1),0.0_pReal,geomSize(2),0.0_pReal,geomSize(3),ierr)
call SNESSetDM(mechanical_snes,mechanical_grid,ierr)
CHKERRQ(ierr)
call DMCreateGlobalVector(mech_grid,solution_current,ierr); CHKERRQ(ierr)
call DMCreateGlobalVector(mech_grid,solution_lastInc,ierr); CHKERRQ(ierr)
call DMCreateGlobalVector(mech_grid,solution_rate ,ierr); CHKERRQ(ierr)
call DMSNESSetFunctionLocal(mech_grid,formResidual,PETSC_NULL_SNES,ierr)
call DMsetFromOptions(mechanical_grid,ierr)
CHKERRQ(ierr)
call DMSNESSetJacobianLocal(mech_grid,formJacobian,PETSC_NULL_SNES,ierr)
call DMsetUp(mechanical_grid,ierr)
CHKERRQ(ierr)
call SNESSetConvergenceTest(mech_snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
call DMDASetUniformCoordinates(mechanical_grid,0.0_pReal,geomSize(1),0.0_pReal,geomSize(2),0.0_pReal,geomSize(3),ierr)
CHKERRQ(ierr)
call DMCreateGlobalVector(mechanical_grid,solution_current,ierr)
CHKERRQ(ierr)
call DMCreateGlobalVector(mechanical_grid,solution_lastInc,ierr)
CHKERRQ(ierr)
call DMCreateGlobalVector(mechanical_grid,solution_rate ,ierr)
CHKERRQ(ierr)
call DMSNESSetFunctionLocal(mechanical_grid,formResidual,PETSC_NULL_SNES,ierr)
CHKERRQ(ierr)
call DMSNESSetJacobianLocal(mechanical_grid,formJacobian,PETSC_NULL_SNES,ierr)
CHKERRQ(ierr)
call SNESSetConvergenceTest(mechanical_snes,converged,PETSC_NULL_SNES,PETSC_NULL_FUNCTION,ierr) ! specify custom convergence check function "_converged"
CHKERRQ(ierr)
call SNESSetMaxLinearSolveFailures(mechanical_snes, huge(1), ierr) ! ignore linear solve failures
CHKERRQ(ierr)
call SNESSetFromOptions(mechanical_snes,ierr) ! pull it all together with additional cli arguments
CHKERRQ(ierr)
call SNESSetMaxLinearSolveFailures(mech_snes, huge(1), ierr); CHKERRQ(ierr) ! ignore linear solve failures
call SNESSetFromOptions(mech_snes,ierr); CHKERRQ(ierr) ! pull it all together with additional cli arguments
!--------------------------------------------------------------------------------------------------
! init fields
call VecSet(solution_current,0.0_pReal,ierr);CHKERRQ(ierr)
call VecSet(solution_lastInc,0.0_pReal,ierr);CHKERRQ(ierr)
call VecSet(solution_rate ,0.0_pReal,ierr);CHKERRQ(ierr)
call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
call DMDAVecGetArrayF90(mechanical_grid,solution_current,u_current,ierr)
CHKERRQ(ierr)
call DMDAVecGetArrayF90(mechanical_grid,solution_lastInc,u_lastInc,ierr)
CHKERRQ(ierr)
call DMDAGetCorners(mech_grid,xstart,ystart,zstart,xend,yend,zend,ierr) ! local grid extent
call DMDAGetCorners(mechanical_grid,xstart,ystart,zstart,xend,yend,zend,ierr) ! local grid extent
CHKERRQ(ierr)
xend = xstart+xend-1
yend = ystart+yend-1
@ -242,9 +257,9 @@ subroutine grid_mech_FEM_init
call utilities_constitutiveResponse(P_current,P_av,C_volAvg,devNull, & ! stress field, stress avg, global average of stiffness and (min+max)/2
F, & ! target F
0.0_pReal) ! time increment
call DMDAVecRestoreArrayF90(mech_grid,solution_current,u_current,ierr)
call DMDAVecRestoreArrayF90(mechanical_grid,solution_current,u_current,ierr)
CHKERRQ(ierr)
call DMDAVecRestoreArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr)
call DMDAVecRestoreArrayF90(mechanical_grid,solution_lastInc,u_lastInc,ierr)
CHKERRQ(ierr)
restartRead2: if (interface_restartInc > 0) then
@ -257,13 +272,13 @@ subroutine grid_mech_FEM_init
endif restartRead2
end subroutine grid_mech_FEM_init
end subroutine grid_mechanical_FEM_init
!--------------------------------------------------------------------------------------------------
!> @brief solution for the FEM scheme with internal iterations
!--------------------------------------------------------------------------------------------------
function grid_mech_FEM_solution(incInfoIn) result(solution)
function grid_mechanical_FEM_solution(incInfoIn) result(solution)
!--------------------------------------------------------------------------------------------------
! input data for solution
@ -284,11 +299,13 @@ function grid_mech_FEM_solution(incInfoIn) result(solution)
!--------------------------------------------------------------------------------------------------
! solve BVP
call SNESsolve(mech_snes,PETSC_NULL_VEC,solution_current,ierr); CHKERRQ(ierr)
call SNESsolve(mechanical_snes,PETSC_NULL_VEC,solution_current,ierr)
CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! check convergence
call SNESGetConvergedReason(mech_snes,reason,ierr); CHKERRQ(ierr)
call SNESGetConvergedReason(mechanical_snes,reason,ierr)
CHKERRQ(ierr)
solution%converged = reason > 0
solution%iterationsNeeded = totalIter
@ -296,14 +313,14 @@ function grid_mech_FEM_solution(incInfoIn) result(solution)
terminallyIll = .false.
P_aim = merge(P_aim,P_av,params%stress_mask)
end function grid_mech_FEM_solution
end function grid_mechanical_FEM_solution
!--------------------------------------------------------------------------------------------------
!> @brief forwarding routine
!> @details find new boundary conditions and best F estimate for end of current timestep
!--------------------------------------------------------------------------------------------------
subroutine grid_mech_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
subroutine grid_mechanical_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
deformation_BC,stress_BC,rotation_BC)
logical, intent(in) :: &
@ -323,8 +340,10 @@ subroutine grid_mech_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
u_current,u_lastInc
call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
call DMDAVecGetArrayF90(mechanical_grid,solution_current,u_current,ierr)
CHKERRQ(ierr)
call DMDAVecGetArrayF90(mechanical_grid,solution_lastInc,u_lastInc,ierr)
CHKERRQ(ierr)
if (cutBack) then
C_volAvg = C_volAvgLastInc
@ -371,8 +390,10 @@ subroutine grid_mech_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
call VecAXPY(solution_current,Delta_t,solution_rate,ierr); CHKERRQ(ierr)
call DMDAVecRestoreArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
call DMDAVecRestoreArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
call DMDAVecRestoreArrayF90(mechanical_grid,solution_current,u_current,ierr)
CHKERRQ(ierr)
call DMDAVecRestoreArrayF90(mechanical_grid,solution_lastInc,u_lastInc,ierr)
CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! set module wide available data
@ -380,31 +401,33 @@ subroutine grid_mech_FEM_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
params%rotation_BC = rotation_BC
params%timeinc = Delta_t
end subroutine grid_mech_FEM_forward
end subroutine grid_mechanical_FEM_forward
!--------------------------------------------------------------------------------------------------
!> @brief Update coordinates
!--------------------------------------------------------------------------------------------------
subroutine grid_mech_FEM_updateCoords
subroutine grid_mechanical_FEM_updateCoords
call utilities_updateCoords(F)
end subroutine grid_mech_FEM_updateCoords
end subroutine grid_mechanical_FEM_updateCoords
!--------------------------------------------------------------------------------------------------
!> @brief Write current solver and constitutive data for restart to file
!--------------------------------------------------------------------------------------------------
subroutine grid_mech_FEM_restartWrite
subroutine grid_mechanical_FEM_restartWrite
PetscErrorCode :: ierr
integer(HID_T) :: fileHandle, groupHandle
PetscScalar, dimension(:,:,:,:), pointer :: u_current,u_lastInc
character(len=pStringLen) :: fileName
call DMDAVecGetArrayF90(mech_grid,solution_current,u_current,ierr); CHKERRQ(ierr)
call DMDAVecGetArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr); CHKERRQ(ierr)
call DMDAVecGetArrayF90(mechanical_grid,solution_current,u_current,ierr)
CHKERRQ(ierr)
call DMDAVecGetArrayF90(mechanical_grid,solution_lastInc,u_lastInc,ierr)
CHKERRQ(ierr)
print*, 'writing solver data required for restart to file'; flush(IO_STDOUT)
@ -427,10 +450,12 @@ subroutine grid_mech_FEM_restartWrite
call HDF5_closeGroup(groupHandle)
call HDF5_closeFile(fileHandle)
call DMDAVecRestoreArrayF90(mech_grid,solution_current,u_current,ierr);CHKERRQ(ierr)
call DMDAVecRestoreArrayF90(mech_grid,solution_lastInc,u_lastInc,ierr);CHKERRQ(ierr)
call DMDAVecRestoreArrayF90(mechanical_grid,solution_current,u_current,ierr)
CHKERRQ(ierr)
call DMDAVecRestoreArrayF90(mechanical_grid,solution_lastInc,u_lastInc,ierr)
CHKERRQ(ierr)
end subroutine grid_mech_FEM_restartWrite
end subroutine grid_mechanical_FEM_restartWrite
!--------------------------------------------------------------------------------------------------
@ -498,8 +523,10 @@ subroutine formResidual(da_local,x_local, &
PetscErrorCode :: ierr
real(pReal), dimension(3,3,3,3) :: devNull
call SNESGetNumberFunctionEvals(mech_snes,nfuncs,ierr); CHKERRQ(ierr)
call SNESGetIterationNumber(mech_snes,PETScIter,ierr); CHKERRQ(ierr)
call SNESGetNumberFunctionEvals(mechanical_snes,nfuncs,ierr)
CHKERRQ(ierr)
call SNESGetIterationNumber(mechanical_snes,PETScIter,ierr)
CHKERRQ(ierr)
if (nfuncs == 0 .and. PETScIter == 0) totalIter = -1 ! new increment
@ -679,4 +706,4 @@ subroutine formJacobian(da_local,x_local,Jac_pre,Jac,dummy,ierr)
end subroutine formJacobian
end module grid_mech_FEM
end module grid_mechanical_FEM

40
src/grid/grid_mech_spectral_basic.f90
View File

@ -4,7 +4,7 @@
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Grid solver for mechanics: Spectral basic
!--------------------------------------------------------------------------------------------------
module grid_mech_spectral_basic
module grid_mechanical_spectral_basic
#include <petsc/finclude/petscsnes.h>
#include <petsc/finclude/petscdmda.h>
use PETScdmda
@ -79,18 +79,18 @@ module grid_mech_spectral_basic
totalIter = 0 !< total iteration in current increment
public :: &
grid_mech_spectral_basic_init, &
grid_mech_spectral_basic_solution, &
grid_mech_spectral_basic_forward, &
grid_mech_spectral_basic_updateCoords, &
grid_mech_spectral_basic_restartWrite
grid_mechanical_spectral_basic_init, &
grid_mechanical_spectral_basic_solution, &
grid_mechanical_spectral_basic_forward, &
grid_mechanical_spectral_basic_updateCoords, &
grid_mechanical_spectral_basic_restartWrite
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
!--------------------------------------------------------------------------------------------------
subroutine grid_mech_spectral_basic_init
subroutine grid_mechanical_spectral_basic_init
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
PetscErrorCode :: ierr
@ -105,7 +105,7 @@ subroutine grid_mech_spectral_basic_init
num_grid, &
debug_grid
print'(/,a)', ' <<<+- grid_mech_spectral_basic init -+>>>'; flush(IO_STDOUT)
print'(/,a)', ' <<<+- grid_mechanical_spectral_basic init -+>>>'; flush(IO_STDOUT)
print*, 'Eisenlohr et al., International Journal of Plasticity 46:37–53, 2013'
print*, 'https://doi.org/10.1016/j.ijplas.2012.09.012'//IO_EOL
@ -139,7 +139,7 @@ subroutine grid_mech_spectral_basic_init
!--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type ngmres',ierr)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mechanical_snes_type ngmres',ierr)
CHKERRQ(ierr)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asString('petsc_options',defaultVal=''),ierr)
CHKERRQ(ierr)
@ -152,7 +152,7 @@ subroutine grid_mech_spectral_basic_init
!--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
call SNESSetOptionsPrefix(snes,'mechanical_',ierr);CHKERRQ(ierr)
localK = 0
localK(worldrank) = grid3
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
@ -222,13 +222,13 @@ subroutine grid_mech_spectral_basic_init
call utilities_updateGamma(C_minMaxAvg)
call utilities_saveReferenceStiffness
end subroutine grid_mech_spectral_basic_init
end subroutine grid_mechanical_spectral_basic_init
!--------------------------------------------------------------------------------------------------
!> @brief solution for the basic scheme with internal iterations
!--------------------------------------------------------------------------------------------------
function grid_mech_spectral_basic_solution(incInfoIn) result(solution)
function grid_mechanical_spectral_basic_solution(incInfoIn) result(solution)
!--------------------------------------------------------------------------------------------------
! input data for solution
@ -262,14 +262,14 @@ function grid_mech_spectral_basic_solution(incInfoIn) result(solution)
terminallyIll = .false.
P_aim = merge(P_aim,P_av,params%stress_mask)
end function grid_mech_spectral_basic_solution
end function grid_mechanical_spectral_basic_solution
!--------------------------------------------------------------------------------------------------
!> @brief forwarding routine
!> @details find new boundary conditions and best F estimate for end of current timestep
!--------------------------------------------------------------------------------------------------
subroutine grid_mech_spectral_basic_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
subroutine grid_mechanical_spectral_basic_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
deformation_BC,stress_BC,rotation_BC)
logical, intent(in) :: &
@ -339,13 +339,13 @@ subroutine grid_mech_spectral_basic_forward(cutBack,guess,Delta_t,Delta_t_old,t_
params%rotation_BC = rotation_BC
params%timeinc = Delta_t
end subroutine grid_mech_spectral_basic_forward
end subroutine grid_mechanical_spectral_basic_forward
!--------------------------------------------------------------------------------------------------
!> @brief Update coordinates
!--------------------------------------------------------------------------------------------------
subroutine grid_mech_spectral_basic_updateCoords
subroutine grid_mechanical_spectral_basic_updateCoords
PetscErrorCode :: ierr
PetscScalar, dimension(:,:,:,:), pointer :: F
@ -354,13 +354,13 @@ subroutine grid_mech_spectral_basic_updateCoords
call utilities_updateCoords(F)
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
end subroutine grid_mech_spectral_basic_updateCoords
end subroutine grid_mechanical_spectral_basic_updateCoords
!--------------------------------------------------------------------------------------------------
!> @brief Write current solver and constitutive data for restart to file
!--------------------------------------------------------------------------------------------------
subroutine grid_mech_spectral_basic_restartWrite
subroutine grid_mechanical_spectral_basic_restartWrite
PetscErrorCode :: ierr
integer(HID_T) :: fileHandle, groupHandle
@ -393,7 +393,7 @@ subroutine grid_mech_spectral_basic_restartWrite
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)
end subroutine grid_mech_spectral_basic_restartWrite
end subroutine grid_mechanical_spectral_basic_restartWrite
!--------------------------------------------------------------------------------------------------
@ -506,4 +506,4 @@ subroutine formResidual(in, F, &
end subroutine formResidual
end module grid_mech_spectral_basic
end module grid_mechanical_spectral_basic

40
src/grid/grid_mech_spectral_polarisation.f90
View File

@ -4,7 +4,7 @@
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Grid solver for mechanics: Spectral Polarisation
!--------------------------------------------------------------------------------------------------
module grid_mech_spectral_polarisation
module grid_mechanical_spectral_polarisation
#include <petsc/finclude/petscsnes.h>
#include <petsc/finclude/petscdmda.h>
use PETScdmda
@ -90,18 +90,18 @@ module grid_mech_spectral_polarisation
totalIter = 0 !< total iteration in current increment
public :: &
grid_mech_spectral_polarisation_init, &
grid_mech_spectral_polarisation_solution, &
grid_mech_spectral_polarisation_forward, &
grid_mech_spectral_polarisation_updateCoords, &
grid_mech_spectral_polarisation_restartWrite
grid_mechanical_spectral_polarisation_init, &
grid_mechanical_spectral_polarisation_solution, &
grid_mechanical_spectral_polarisation_forward, &
grid_mechanical_spectral_polarisation_updateCoords, &
grid_mechanical_spectral_polarisation_restartWrite
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all necessary fields and fills them with data, potentially from restart info
!--------------------------------------------------------------------------------------------------
subroutine grid_mech_spectral_polarisation_init
subroutine grid_mechanical_spectral_polarisation_init
real(pReal), dimension(3,3,grid(1),grid(2),grid3) :: P
PetscErrorCode :: ierr
@ -118,7 +118,7 @@ subroutine grid_mech_spectral_polarisation_init
num_grid, &
debug_grid
print'(/,a)', ' <<<+- grid_mech_spectral_polarisation init -+>>>'; flush(IO_STDOUT)
print'(/,a)', ' <<<+- grid_mechanical_spectral_polarisation init -+>>>'; flush(IO_STDOUT)
print*, 'Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
print*, 'https://doi.org/10.1016/j.ijplas.2014.02.006'
@ -157,7 +157,7 @@ subroutine grid_mech_spectral_polarisation_init
!--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type ngmres',ierr)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mechanical_snes_type ngmres',ierr)
CHKERRQ(ierr)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_grid%get_asString('petsc_options',defaultVal=''),ierr)
CHKERRQ(ierr)
@ -172,7 +172,7 @@ subroutine grid_mech_spectral_polarisation_init
!--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,snes,ierr); CHKERRQ(ierr)
call SNESSetOptionsPrefix(snes,'mech_',ierr);CHKERRQ(ierr)
call SNESSetOptionsPrefix(snes,'mechanical_',ierr);CHKERRQ(ierr)
localK = 0
localK(worldrank) = grid3
call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
@ -250,13 +250,13 @@ subroutine grid_mech_spectral_polarisation_init
C_scale = C_minMaxAvg
S_scale = math_invSym3333(C_minMaxAvg)
end subroutine grid_mech_spectral_polarisation_init
end subroutine grid_mechanical_spectral_polarisation_init
!--------------------------------------------------------------------------------------------------
!> @brief solution for the Polarisation scheme with internal iterations
!--------------------------------------------------------------------------------------------------
function grid_mech_spectral_polarisation_solution(incInfoIn) result(solution)
function grid_mechanical_spectral_polarisation_solution(incInfoIn) result(solution)
!--------------------------------------------------------------------------------------------------
! input data for solution
@ -294,14 +294,14 @@ function grid_mech_spectral_polarisation_solution(incInfoIn) result(solution)
terminallyIll = .false.
P_aim = merge(P_aim,P_av,params%stress_mask)
end function grid_mech_spectral_polarisation_solution
end function grid_mechanical_spectral_polarisation_solution
!--------------------------------------------------------------------------------------------------
!> @brief forwarding routine
!> @details find new boundary conditions and best F estimate for end of current timestep
!--------------------------------------------------------------------------------------------------
subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
subroutine grid_mechanical_spectral_polarisation_forward(cutBack,guess,Delta_t,Delta_t_old,t_remaining,&
deformation_BC,stress_BC,rotation_BC)
logical, intent(in) :: &
@ -393,13 +393,13 @@ subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,Delta_t,Delta_t
params%rotation_BC = rotation_BC
params%timeinc = Delta_t
end subroutine grid_mech_spectral_polarisation_forward
end subroutine grid_mechanical_spectral_polarisation_forward
!--------------------------------------------------------------------------------------------------
!> @brief Update coordinates
!--------------------------------------------------------------------------------------------------
subroutine grid_mech_spectral_polarisation_updateCoords
subroutine grid_mechanical_spectral_polarisation_updateCoords
PetscErrorCode :: ierr
PetscScalar, dimension(:,:,:,:), pointer :: FandF_tau
@ -408,13 +408,13 @@ subroutine grid_mech_spectral_polarisation_updateCoords
call utilities_updateCoords(FandF_tau(0:8,:,:,:))
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
end subroutine grid_mech_spectral_polarisation_updateCoords
end subroutine grid_mechanical_spectral_polarisation_updateCoords
!--------------------------------------------------------------------------------------------------
!> @brief Write current solver and constitutive data for restart to file
!--------------------------------------------------------------------------------------------------
subroutine grid_mech_spectral_polarisation_restartWrite
subroutine grid_mechanical_spectral_polarisation_restartWrite
PetscErrorCode :: ierr
integer(HID_T) :: fileHandle, groupHandle
@ -450,7 +450,7 @@ subroutine grid_mech_spectral_polarisation_restartWrite
call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,ierr); CHKERRQ(ierr)
end subroutine grid_mech_spectral_polarisation_restartWrite
end subroutine grid_mechanical_spectral_polarisation_restartWrite
!--------------------------------------------------------------------------------------------------
@ -618,4 +618,4 @@ subroutine formResidual(in, FandF_tau, &
end subroutine formResidual
end module grid_mech_spectral_polarisation
end module grid_mechanical_spectral_polarisation

255
src/homogenization.f90
View File

@ -12,14 +12,53 @@ module homogenization
use material
use phase
use discretization
use damage_none
use damage_nonlocal
use HDF5_utilities
use results
use lattice
implicit none
private
enum, bind(c); enumerator :: &
THERMAL_ISOTHERMAL_ID, &
THERMAL_CONDUCTION_ID, &
DAMAGE_NONE_ID, &
DAMAGE_NONLOCAL_ID, &
HOMOGENIZATION_UNDEFINED_ID, &
HOMOGENIZATION_NONE_ID, &
HOMOGENIZATION_ISOSTRAIN_ID, &
HOMOGENIZATION_RGC_ID
end enum
type(tState), allocatable, dimension(:), public :: &
homogState, &
damageState_h
integer, dimension(:), allocatable, public, protected :: &
homogenization_typeInstance, & !< instance of particular type of each homogenization
thermal_typeInstance, & !< instance of particular type of each thermal transport
damage_typeInstance !< instance of particular type of each nonlocal damage
real(pReal), dimension(:), allocatable, public, protected :: &
thermal_initialT
integer(kind(THERMAL_isothermal_ID)), dimension(:), allocatable, public, protected :: &
thermal_type !< thermal transport model
integer(kind(DAMAGE_none_ID)), dimension(:), allocatable, public, protected :: &
damage_type !< nonlocal damage model
integer(kind(HOMOGENIZATION_undefined_ID)), dimension(:), allocatable, public, protected :: &
homogenization_type !< type of each homogenization
type, private :: tNumerics_damage
real(pReal) :: &
charLength !< characteristic length scale for gradient problems
end type tNumerics_damage
type(tNumerics_damage), private :: &
num_damage
logical, public :: &
terminallyIll = .false. !< at least one material point is terminally ill
@ -45,10 +84,10 @@ module homogenization
!--------------------------------------------------------------------------------------------------
interface
module subroutine mech_init(num_homog)
module subroutine mechanical_init(num_homog)
class(tNode), pointer, intent(in) :: &
num_homog !< pointer to mechanical homogenization numerics data
end subroutine mech_init
end subroutine mechanical_init
module subroutine thermal_init
end subroutine thermal_init
@ -56,13 +95,13 @@ module homogenization
module subroutine damage_init
end subroutine damage_init
module subroutine mech_partition(subF,ip,el)
module subroutine mechanical_partition(subF,ip,el)
real(pReal), intent(in), dimension(3,3) :: &
subF
integer, intent(in) :: &
ip, & !< integration point
el !< element number
end subroutine mech_partition
end subroutine mechanical_partition
module subroutine thermal_partition(ce)
integer, intent(in) :: ce
@ -76,19 +115,19 @@ module homogenization
integer, intent(in) :: ip,el
end subroutine thermal_homogenize
module subroutine mech_homogenize(dt,ip,el)
module subroutine mechanical_homogenize(dt,ip,el)
real(pReal), intent(in) :: dt
integer, intent(in) :: &
ip, & !< integration point
el !< element number
end subroutine mech_homogenize
end subroutine mechanical_homogenize
module subroutine mech_results(group_base,h)
module subroutine mechanical_results(group_base,h)
character(len=*), intent(in) :: group_base
integer, intent(in) :: h
end subroutine mech_results
end subroutine mechanical_results
module function mech_updateState(subdt,subF,ip,el) result(doneAndHappy)
module function mechanical_updateState(subdt,subF,ip,el) result(doneAndHappy)
real(pReal), intent(in) :: &
subdt !< current time step
real(pReal), intent(in), dimension(3,3) :: &
@ -97,7 +136,7 @@ module homogenization
ip, & !< integration point
el !< element number
logical, dimension(2) :: doneAndHappy
end function mech_updateState
end function mechanical_updateState
module function thermal_conduction_getConductivity(ip,el) result(K)
@ -193,7 +232,13 @@ module homogenization
homogenization_forward, &
homogenization_results, &
homogenization_restartRead, &
homogenization_restartWrite
homogenization_restartWrite, &
THERMAL_CONDUCTION_ID, &
DAMAGE_NONLOCAL_ID
public :: &
damage_nonlocal_init, &
damage_nonlocal_getDiffusion
contains
@ -209,6 +254,12 @@ subroutine homogenization_init()
print'(/,a)', ' <<<+- homogenization init -+>>>'; flush(IO_STDOUT)
allocate(homogState (size(material_name_homogenization)))
allocate(damageState_h (size(material_name_homogenization)))
call material_parseHomogenization
num_homog => config_numerics%get('homogenization',defaultVal=emptyDict)
num_homogGeneric => num_homog%get('generic',defaultVal=emptyDict)
@ -216,12 +267,11 @@ subroutine homogenization_init()
if (num%nMPstate < 1) call IO_error(301,ext_msg='nMPstate')
call mech_init(num_homog)
call mechanical_init(num_homog)
call thermal_init()
call damage_init()
if (any(damage_type == DAMAGE_none_ID)) call damage_none_init
if (any(damage_type == DAMAGE_nonlocal_ID)) call damage_nonlocal_init
call damage_nonlocal_init
end subroutine homogenization_init
@ -253,10 +303,11 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
ce = (el-1)*discretization_nIPs + ip
me = material_homogenizationMemberAt2(ce)
call constitutive_restore(ce,.false.) ! wrong name (is more a forward function)
call phase_restore(ce,.false.) ! wrong name (is more a forward function)
if(homogState(ho)%sizeState > 0) homogState(ho)%State(:,me) = homogState(ho)%State0(:,me)
if(damageState_h(ho)%sizeState > 0) damageState_h(ho)%State(:,me) = damageState_h(ho)%State0(:,me)
call damage_partition(ce)
doneAndHappy = [.false.,.true.]
@ -267,7 +318,7 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
if (.not. doneAndHappy(1)) then
call mech_partition(homogenization_F(1:3,1:3,ce),ip,el)
call mechanical_partition(homogenization_F(1:3,1:3,ce),ip,el)
converged = .true.
do co = 1, myNgrains
converged = converged .and. crystallite_stress(dt,co,ip,el)
@ -276,7 +327,7 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
if (.not. converged) then
doneAndHappy = [.true.,.false.]
else
doneAndHappy = mech_updateState(dt,homogenization_F(1:3,1:3,ce),ip,el)
doneAndHappy = mechanical_updateState(dt,homogenization_F(1:3,1:3,ce),ip,el)
converged = all(doneAndHappy)
endif
endif
@ -311,26 +362,6 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
enddo
!$OMP END DO
! !$OMP DO PRIVATE(ho,ph,ce)
! do el = FEsolving_execElem(1),FEsolving_execElem(2)
! if (terminallyIll) continue
! ho = material_homogenizationAt(el)
! do ip = FEsolving_execIP(1),FEsolving_execIP(2)
! ce = (el-1)*discretization_nIPs + ip
! call damage_partition(ce)
! do co = 1, homogenization_Nconstituents(ho)
! ph = material_phaseAt(co,el)
! if (.not. thermal_stress(dt,ph,material_phaseMemberAt(co,ip,el))) then
! if (.not. terminallyIll) & ! so first signals terminally ill...
! print*, ' Integration point ', ip,' at element ', el, ' terminally ill'
! terminallyIll = .true. ! ...and kills all others
! endif
! call thermal_homogenize(ip,el)
! enddo
! enddo
! enddo
! !$OMP END DO
!$OMP DO PRIVATE(ho)
elementLooping3: do el = FEsolving_execElem(1),FEsolving_execElem(2)
ho = material_homogenizationAt(el)
@ -338,7 +369,7 @@ subroutine materialpoint_stressAndItsTangent(dt,FEsolving_execIP,FEsolving_execE
do co = 1, homogenization_Nconstituents(ho)
call crystallite_orientations(co,ip,el)
enddo
call mech_homogenize(dt,ip,el)
call mechanical_homogenize(dt,ip,el)
enddo IpLooping3
enddo elementLooping3
!$OMP END DO
@ -365,7 +396,7 @@ subroutine homogenization_results
group_base = 'current/homogenization/'//trim(material_name_homogenization(ho))
call results_closeGroup(results_addGroup(group_base))
call mech_results(group_base,ho)
call mechanical_results(group_base,ho)
group = trim(group_base)//'/damage'
call results_closeGroup(results_addGroup(group))
@ -397,7 +428,8 @@ subroutine homogenization_forward
do ho = 1, size(material_name_homogenization)
homogState (ho)%state0 = homogState (ho)%state
damageState_h(ho)%state0 = damageState_h(ho)%state
if(damageState_h(ho)%sizeState > 0) &
damageState_h(ho)%state0 = damageState_h(ho)%state
enddo
end subroutine homogenization_forward
@ -457,4 +489,143 @@ subroutine homogenization_restartRead(fileHandle)
end subroutine homogenization_restartRead
!--------------------------------------------------------------------------------------------------
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
subroutine damage_nonlocal_init
integer :: Ninstances,Nmaterialpoints,h
class(tNode), pointer :: &
num_generic, &
material_homogenization
print'(/,a)', ' <<<+- damage_nonlocal init -+>>>'; flush(6)
!------------------------------------------------------------------------------------
! read numerics parameter
num_generic => config_numerics%get('generic',defaultVal= emptyDict)
num_damage%charLength = num_generic%get_asFloat('charLength',defaultVal=1.0_pReal)
Ninstances = count(damage_type == DAMAGE_nonlocal_ID)
material_homogenization => config_material%get('homogenization')
do h = 1, material_homogenization%length
if (damage_type(h) /= DAMAGE_NONLOCAL_ID) cycle
Nmaterialpoints = count(material_homogenizationAt == h)
damageState_h(h)%sizeState = 1
allocate(damageState_h(h)%state0 (1,Nmaterialpoints), source=1.0_pReal)
allocate(damageState_h(h)%state (1,Nmaterialpoints), source=1.0_pReal)
enddo
end subroutine damage_nonlocal_init
!--------------------------------------------------------------------------------------------------
!> @brief returns homogenized non local damage diffusion tensor in reference configuration
!--------------------------------------------------------------------------------------------------
function damage_nonlocal_getDiffusion(ip,el)
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
real(pReal), dimension(3,3) :: &
damage_nonlocal_getDiffusion
integer :: &
homog, &
grain
homog = material_homogenizationAt(el)
damage_nonlocal_getDiffusion = 0.0_pReal
do grain = 1, homogenization_Nconstituents(homog)
damage_nonlocal_getDiffusion = damage_nonlocal_getDiffusion + &
crystallite_push33ToRef(grain,ip,el,lattice_D(1:3,1:3,material_phaseAt(grain,el)))
enddo
damage_nonlocal_getDiffusion = &
num_damage%charLength**2*damage_nonlocal_getDiffusion/real(homogenization_Nconstituents(homog),pReal)
end function damage_nonlocal_getDiffusion
!--------------------------------------------------------------------------------------------------
!> @brief parses the homogenization part from the material configuration
! ToDo: This should be done in homogenization
!--------------------------------------------------------------------------------------------------
subroutine material_parseHomogenization
class(tNode), pointer :: &
material_homogenization, &
homog, &
homogMech, &
homogThermal, &
homogDamage
integer :: h
material_homogenization => config_material%get('homogenization')
allocate(homogenization_type(size(material_name_homogenization)), source=HOMOGENIZATION_undefined_ID)
allocate(thermal_type(size(material_name_homogenization)), source=THERMAL_isothermal_ID)
allocate(damage_type (size(material_name_homogenization)), source=DAMAGE_none_ID)
allocate(homogenization_typeInstance(size(material_name_homogenization)), source=0)
allocate(thermal_typeInstance(size(material_name_homogenization)), source=0)
allocate(damage_typeInstance(size(material_name_homogenization)), source=0)
allocate(thermal_initialT(size(material_name_homogenization)), source=300.0_pReal)
do h=1, size(material_name_homogenization)
homog => material_homogenization%get(h)
homogMech => homog%get('mechanics')
select case (homogMech%get_asString('type'))
case('pass')
homogenization_type(h) = HOMOGENIZATION_NONE_ID
case('isostrain')
homogenization_type(h) = HOMOGENIZATION_ISOSTRAIN_ID
case('RGC')
homogenization_type(h) = HOMOGENIZATION_RGC_ID
case default
call IO_error(500,ext_msg=homogMech%get_asString('type'))
end select
homogenization_typeInstance(h) = count(homogenization_type==homogenization_type(h))
if(homog%contains('thermal')) then
homogThermal => homog%get('thermal')
thermal_initialT(h) = homogThermal%get_asFloat('T_0',defaultVal=300.0_pReal)
select case (homogThermal%get_asString('type'))
case('isothermal')
thermal_type(h) = THERMAL_isothermal_ID
case('conduction')
thermal_type(h) = THERMAL_conduction_ID
case default
call IO_error(500,ext_msg=homogThermal%get_asString('type'))
end select
endif
if(homog%contains('damage')) then
homogDamage => homog%get('damage')
select case (homogDamage%get_asString('type'))
case('none')
damage_type(h) = DAMAGE_none_ID
case('nonlocal')
damage_type(h) = DAMAGE_nonlocal_ID
case default
call IO_error(500,ext_msg=homogDamage%get_asString('type'))
end select
endif
enddo
do h=1, size(material_name_homogenization)
homogenization_typeInstance(h) = count(homogenization_type(1:h) == homogenization_type(h))
thermal_typeInstance(h) = count(thermal_type (1:h) == thermal_type (h))
damage_typeInstance(h) = count(damage_type (1:h) == damage_type (h))
enddo
end subroutine material_parseHomogenization
end module homogenization

11
src/homogenization_damage.f90
View File

@ -72,9 +72,10 @@ module subroutine damage_partition(ce)
integer :: co
phi = current(material_homogenizationAt2(ce))%phi(material_homogenizationMemberAt2(ce))
if(damageState_h(material_homogenizationAt2(ce))%sizeState < 1) return
phi = damagestate_h(material_homogenizationAt2(ce))%state(1,material_homogenizationMemberAt2(ce))
do co = 1, homogenization_Nconstituents(material_homogenizationAt2(ce))
call constitutive_damage_set_phi(phi,co,ce)
call phase_damage_set_phi(phi,co,ce)
enddo
end subroutine damage_partition
@ -120,7 +121,7 @@ module subroutine damage_nonlocal_getSourceAndItsTangent(phiDot, dPhiDot_dPhi, p
phiDot = 0.0_pReal
dPhiDot_dPhi = 0.0_pReal
call constitutive_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi, phi, ip, el)
call phase_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi, phi, ip, el)
phiDot = phiDot/real(homogenization_Nconstituents(material_homogenizationAt(el)),pReal)
dPhiDot_dPhi = dPhiDot_dPhi/real(homogenization_Nconstituents(material_homogenizationAt(el)),pReal)
@ -143,7 +144,7 @@ module subroutine damage_nonlocal_putNonLocalDamage(phi,ip,el)
homog = material_homogenizationAt(el)
offset = material_homogenizationMemberAt(ip,el)
damage(homog)%p(offset) = phi
damagestate_h(homog)%state(1,offset) = phi
end subroutine damage_nonlocal_putNonLocalDamage
@ -162,7 +163,7 @@ module subroutine damage_nonlocal_results(homog,group)
outputsLoop: do o = 1,size(prm%output)
select case(prm%output(o))
case ('phi')
call results_writeDataset(group,damage(homog)%p,prm%output(o),&
call results_writeDataset(group,damagestate_h(homog)%state(1,:),prm%output(o),&
'damage indicator','-')
end select
enddo outputsLoop

104
src/homogenization_mechanics.f90 → src/homogenization_mechanical.f90
View File

@ -2,57 +2,57 @@
!> @author Martin Diehl, KU Leuven
!> @brief Partition F and homogenize P/dPdF
!--------------------------------------------------------------------------------------------------
submodule(homogenization) mechanics
submodule(homogenization) mechanical
interface
module subroutine mech_none_init
end subroutine mech_none_init
module subroutine mechanical_pass_init
end subroutine mechanical_pass_init
module subroutine mech_isostrain_init
end subroutine mech_isostrain_init
module subroutine mechanical_isostrain_init
end subroutine mechanical_isostrain_init
module subroutine mech_RGC_init(num_homogMech)
module subroutine mechanical_RGC_init(num_homogMech)
class(tNode), pointer, intent(in) :: &
num_homogMech !< pointer to mechanical homogenization numerics data
end subroutine mech_RGC_init
end subroutine mechanical_RGC_init
module subroutine mech_isostrain_partitionDeformation(F,avgF)
module subroutine mechanical_isostrain_partitionDeformation(F,avgF)
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
end subroutine mech_isostrain_partitionDeformation
end subroutine mechanical_isostrain_partitionDeformation
module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
module subroutine mechanical_RGC_partitionDeformation(F,avgF,instance,of)
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
real(pReal), dimension (3,3), intent(in) :: avgF !< average deformation gradient at material point
integer, intent(in) :: &
instance, &
of
end subroutine mech_RGC_partitionDeformation
end subroutine mechanical_RGC_partitionDeformation
module subroutine mech_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
module subroutine mechanical_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
real(pReal), dimension (:,:,:), intent(in) :: P !< partitioned stresses
real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
integer, intent(in) :: instance
end subroutine mech_isostrain_averageStressAndItsTangent
end subroutine mechanical_isostrain_averageStressAndItsTangent
module subroutine mech_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
module subroutine mechanical_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
real(pReal), dimension (:,:,:), intent(in) :: P !< partitioned stresses
real(pReal), dimension (:,:,:,:,:), intent(in) :: dPdF !< partitioned stiffnesses
integer, intent(in) :: instance
end subroutine mech_RGC_averageStressAndItsTangent
end subroutine mechanical_RGC_averageStressAndItsTangent
module function mech_RGC_updateState(P,F,avgF,dt,dPdF,ip,el) result(doneAndHappy)
module function mechanical_RGC_updateState(P,F,avgF,dt,dPdF,ip,el) result(doneAndHappy)
logical, dimension(2) :: doneAndHappy
real(pReal), dimension(:,:,:), intent(in) :: &
P,& !< partitioned stresses
@ -63,13 +63,13 @@ submodule(homogenization) mechanics
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
end function mech_RGC_updateState
end function mechanical_RGC_updateState
module subroutine mech_RGC_results(instance,group)
module subroutine mechanical_RGC_results(instance,group)
integer, intent(in) :: instance !< homogenization instance
character(len=*), intent(in) :: group !< group name in HDF5 file
end subroutine mech_RGC_results
end subroutine mechanical_RGC_results
end interface
@ -78,7 +78,7 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief Allocate variables and set parameters.
!--------------------------------------------------------------------------------------------------
module subroutine mech_init(num_homog)
module subroutine mechanical_init(num_homog)
class(tNode), pointer, intent(in) :: &
num_homog
@ -86,7 +86,7 @@ module subroutine mech_init(num_homog)
class(tNode), pointer :: &
num_homogMech
print'(/,a)', ' <<<+- homogenization:mechanics init -+>>>'
print'(/,a)', ' <<<+- homogenization:mechanical init -+>>>'
allocate(homogenization_dPdF(3,3,3,3,discretization_nIPs*discretization_Nelems), source=0.0_pReal)
homogenization_F0 = spread(math_I3,3,discretization_nIPs*discretization_Nelems) ! initialize to identity
@ -94,17 +94,17 @@ module subroutine mech_init(num_homog)
allocate(homogenization_P(3,3,discretization_nIPs*discretization_Nelems), source=0.0_pReal)
num_homogMech => num_homog%get('mech',defaultVal=emptyDict)
if (any(homogenization_type == HOMOGENIZATION_NONE_ID)) call mech_none_init
if (any(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)) call mech_isostrain_init
if (any(homogenization_type == HOMOGENIZATION_RGC_ID)) call mech_RGC_init(num_homogMech)
if (any(homogenization_type == HOMOGENIZATION_NONE_ID)) call mechanical_pass_init
if (any(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)) call mechanical_isostrain_init
if (any(homogenization_type == HOMOGENIZATION_RGC_ID)) call mechanical_RGC_init(num_homogMech)
end subroutine mech_init
end subroutine mechanical_init
!--------------------------------------------------------------------------------------------------
!> @brief Partition F onto the individual constituents.
!--------------------------------------------------------------------------------------------------
module subroutine mech_partition(subF,ip,el)
module subroutine mechanical_partition(subF,ip,el)
real(pReal), intent(in), dimension(3,3) :: &
subF
@ -122,25 +122,25 @@ module subroutine mech_partition(subF,ip,el)
Fs(1:3,1:3,1) = subF
case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
call mech_isostrain_partitionDeformation(Fs,subF)
call mechanical_isostrain_partitionDeformation(Fs,subF)
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
call mech_RGC_partitionDeformation(Fs,subF,ip,el)
call mechanical_RGC_partitionDeformation(Fs,subF,ip,el)
end select chosenHomogenization
do co = 1,homogenization_Nconstituents(material_homogenizationAt(el))
call constitutive_mech_setF(Fs(1:3,1:3,co),co,ip,el)
call phase_mechanical_setF(Fs(1:3,1:3,co),co,ip,el)
enddo
end subroutine mech_partition
end subroutine mechanical_partition
!--------------------------------------------------------------------------------------------------
!> @brief Average P and dPdF from the individual constituents.
!--------------------------------------------------------------------------------------------------
module subroutine mech_homogenize(dt,ip,el)
module subroutine mechanical_homogenize(dt,ip,el)
real(pReal), intent(in) :: dt
integer, intent(in) :: &
@ -156,15 +156,15 @@ module subroutine mech_homogenize(dt,ip,el)
chosenHomogenization: select case(homogenization_type(material_homogenizationAt(el)))
case (HOMOGENIZATION_NONE_ID) chosenHomogenization
homogenization_P(1:3,1:3,ce) = constitutive_mech_getP(1,ip,el)
homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = constitutive_mech_dPdF(dt,1,ip,el)
homogenization_P(1:3,1:3,ce) = phase_mechanical_getP(1,ip,el)
homogenization_dPdF(1:3,1:3,1:3,1:3,ce) = phase_mechanical_dPdF(dt,1,ip,el)
case (HOMOGENIZATION_ISOSTRAIN_ID) chosenHomogenization
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
dPdFs(:,:,:,:,co) = constitutive_mech_dPdF(dt,co,ip,el)
Ps(:,:,co) = constitutive_mech_getP(co,ip,el)
dPdFs(:,:,:,:,co) = phase_mechanical_dPdF(dt,co,ip,el)
Ps(:,:,co) = phase_mechanical_getP(co,ip,el)
enddo
call mech_isostrain_averageStressAndItsTangent(&
call mechanical_isostrain_averageStressAndItsTangent(&
homogenization_P(1:3,1:3,ce), &
homogenization_dPdF(1:3,1:3,1:3,1:3,ce),&
Ps,dPdFs, &
@ -172,10 +172,10 @@ module subroutine mech_homogenize(dt,ip,el)
case (HOMOGENIZATION_RGC_ID) chosenHomogenization
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
dPdFs(:,:,:,:,co) = constitutive_mech_dPdF(dt,co,ip,el)
Ps(:,:,co) = constitutive_mech_getP(co,ip,el)
dPdFs(:,:,:,:,co) = phase_mechanical_dPdF(dt,co,ip,el)
Ps(:,:,co) = phase_mechanical_getP(co,ip,el)
enddo
call mech_RGC_averageStressAndItsTangent(&
call mechanical_RGC_averageStressAndItsTangent(&
homogenization_P(1:3,1:3,ce), &
homogenization_dPdF(1:3,1:3,1:3,1:3,ce),&
Ps,dPdFs, &
@ -183,14 +183,14 @@ module subroutine mech_homogenize(dt,ip,el)
end select chosenHomogenization
end subroutine mech_homogenize
end subroutine mechanical_homogenize
!--------------------------------------------------------------------------------------------------
!> @brief update the internal state of the homogenization scheme and tell whether "done" and
!> "happy" with result
!--------------------------------------------------------------------------------------------------
module function mech_updateState(subdt,subF,ip,el) result(doneAndHappy)
module function mechanical_updateState(subdt,subF,ip,el) result(doneAndHappy)
real(pReal), intent(in) :: &
subdt !< current time step
@ -209,24 +209,22 @@ module function mech_updateState(subdt,subF,ip,el) result(doneAndHappy)
if (homogenization_type(material_homogenizationAt(el)) == HOMOGENIZATION_RGC_ID) then
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
dPdFs(:,:,:,:,co) = constitutive_mech_dPdF(subdt,co,ip,el)
Fs(:,:,co) = constitutive_mech_getF(co,ip,el)
Ps(:,:,co) = constitutive_mech_getP(co,ip,el)
dPdFs(:,:,:,:,co) = phase_mechanical_dPdF(subdt,co,ip,el)
Fs(:,:,co) = phase_mechanical_getF(co,ip,el)
Ps(:,:,co) = phase_mechanical_getP(co,ip,el)
enddo
doneAndHappy = mech_RGC_updateState(Ps,Fs,subF,subdt,dPdFs,ip,el)
doneAndHappy = mechanical_RGC_updateState(Ps,Fs,subF,subdt,dPdFs,ip,el)
else
doneAndHappy = .true.
endif
end function mech_updateState
end function mechanical_updateState
!--------------------------------------------------------------------------------------------------
!> @brief Write results to file.
!--------------------------------------------------------------------------------------------------
module subroutine mech_results(group_base,h)
use material, only: &
material_homogenization_type => homogenization_type
module subroutine mechanical_results(group_base,h)
character(len=*), intent(in) :: group_base
integer, intent(in) :: h
@ -236,10 +234,10 @@ module subroutine mech_results(group_base,h)
group = trim(group_base)//'/mech'
call results_closeGroup(results_addGroup(group))
select case(material_homogenization_type(h))
select case(homogenization_type(h))
case(HOMOGENIZATION_rgc_ID)
call mech_RGC_results(homogenization_typeInstance(h),group)
call mechanical_RGC_results(homogenization_typeInstance(h),group)
end select
@ -250,7 +248,7 @@ module subroutine mech_results(group_base,h)
!call results_writeDataset(group,temp,'P',&
! '1st Piola-Kirchhoff stress','Pa')
end subroutine mech_results
end subroutine mechanical_results
end submodule mechanics
end submodule mechanical

28
src/homogenization_mechanics_RGC.f90 → src/homogenization_mechanical_RGC.f90
View File

@ -6,7 +6,7 @@
!> @brief Relaxed grain cluster (RGC) homogenization scheme
!> N_constituents is defined as p x q x r (cluster)
!--------------------------------------------------------------------------------------------------
submodule(homogenization:mechanics) RGC
submodule(homogenization:mechanical) RGC
use rotations
use lattice
@ -71,7 +71,7 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all necessary fields, reads information from material configuration file
!--------------------------------------------------------------------------------------------------
module subroutine mech_RGC_init(num_homogMech)
module subroutine mechanical_RGC_init(num_homogMech)
class(tNode), pointer, intent(in) :: &
num_homogMech !< pointer to mechanical homogenization numerics data
@ -88,7 +88,7 @@ module subroutine mech_RGC_init(num_homogMech)
homog, &
homogMech
print'(/,a)', ' <<<+- homogenization:mechanics:RGC init -+>>>'
print'(/,a)', ' <<<+- homogenization:mechanical:RGC init -+>>>'
Ninstances = count(homogenization_type == HOMOGENIZATION_RGC_ID)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
@ -155,7 +155,7 @@ module subroutine mech_RGC_init(num_homogMech)
prm%N_constituents = homogMech%get_asInts('cluster_size',requiredSize=3)
if (homogenization_Nconstituents(h) /= product(prm%N_constituents)) &
call IO_error(211,ext_msg='N_constituents (mech_RGC)')
call IO_error(211,ext_msg='N_constituents (mechanical_RGC)')
prm%xi_alpha = homogMech%get_asFloat('xi_alpha')
prm%c_alpha = homogMech%get_asFloat('c_alpha')
@ -190,13 +190,13 @@ module subroutine mech_RGC_init(num_homogMech)
enddo
end subroutine mech_RGC_init
end subroutine mechanical_RGC_init
!--------------------------------------------------------------------------------------------------
!> @brief partitions the deformation gradient onto the constituents
!--------------------------------------------------------------------------------------------------
module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
module subroutine mechanical_RGC_partitionDeformation(F,avgF,instance,of)
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned F per grain
@ -229,14 +229,14 @@ module subroutine mech_RGC_partitionDeformation(F,avgF,instance,of)
end associate
end subroutine mech_RGC_partitionDeformation
end subroutine mechanical_RGC_partitionDeformation
!--------------------------------------------------------------------------------------------------
!> @brief update the internal state of the homogenization scheme and tell whether "done" and
! "happy" with result
!--------------------------------------------------------------------------------------------------
module function mech_RGC_updateState(P,F,avgF,dt,dPdF,ip,el) result(doneAndHappy)
module function mechanical_RGC_updateState(P,F,avgF,dt,dPdF,ip,el) result(doneAndHappy)
logical, dimension(2) :: doneAndHappy
real(pReal), dimension(:,:,:), intent(in) :: &
P,& !< partitioned stresses
@ -658,7 +658,7 @@ module function mech_RGC_updateState(P,F,avgF,dt,dPdF,ip,el) result(doneAndHappy
real(pReal), dimension(6,6) :: C
C = constitutive_homogenizedC(material_phaseAt(grainID,el),material_phaseMemberAt(grainID,ip,el))
C = phase_homogenizedC(material_phaseAt(grainID,el),material_phaseMemberAt(grainID,ip,el))
equivalentMu = lattice_equivalent_mu(C,'voigt')
end function equivalentMu
@ -704,13 +704,13 @@ module function mech_RGC_updateState(P,F,avgF,dt,dPdF,ip,el) result(doneAndHappy
end subroutine grainDeformation
end function mech_RGC_updateState
end function mechanical_RGC_updateState
!--------------------------------------------------------------------------------------------------
!> @brief derive average stress and stiffness from constituent quantities
!--------------------------------------------------------------------------------------------------
module subroutine mech_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
module subroutine mechanical_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
@ -722,13 +722,13 @@ module subroutine mech_RGC_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,ins
avgP = sum(P,3) /real(product(param(instance)%N_constituents),pReal)
dAvgPdAvgF = sum(dPdF,5)/real(product(param(instance)%N_constituents),pReal)
end subroutine mech_RGC_averageStressAndItsTangent
end subroutine mechanical_RGC_averageStressAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file
!--------------------------------------------------------------------------------------------------
module subroutine mech_RGC_results(instance,group)
module subroutine mechanical_RGC_results(instance,group)
integer, intent(in) :: instance
character(len=*), intent(in) :: group
@ -754,7 +754,7 @@ module subroutine mech_RGC_results(instance,group)
enddo outputsLoop
end associate
end subroutine mech_RGC_results
end subroutine mechanical_RGC_results
!--------------------------------------------------------------------------------------------------

18
src/homogenization_mechanics_isostrain.f90 → src/homogenization_mechanical_isostrain.f90
View File

@ -4,7 +4,7 @@
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Isostrain (full constraint Taylor assuption) homogenization scheme
!--------------------------------------------------------------------------------------------------
submodule(homogenization:mechanics) isostrain
submodule(homogenization:mechanical) isostrain
enum, bind(c); enumerator :: &
parallel_ID, &
@ -26,7 +26,7 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields, reads information from material configuration file
!--------------------------------------------------------------------------------------------------
module subroutine mech_isostrain_init
module subroutine mechanical_isostrain_init
integer :: &
Ninstances, &
@ -37,7 +37,7 @@ module subroutine mech_isostrain_init
homog, &
homogMech
print'(/,a)', ' <<<+- homogenization:mechanics:isostrain init -+>>>'
print'(/,a)', ' <<<+- homogenization:mechanical:isostrain init -+>>>'
Ninstances = count(homogenization_type == HOMOGENIZATION_ISOSTRAIN_ID)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
@ -58,7 +58,7 @@ module subroutine mech_isostrain_init
case ('avg')
prm%mapping = average_ID
case default
call IO_error(211,ext_msg='sum'//' (mech_isostrain)')
call IO_error(211,ext_msg='sum'//' (mechanical_isostrain)')
end select
Nmaterialpoints = count(material_homogenizationAt == h)
@ -70,13 +70,13 @@ module subroutine mech_isostrain_init
enddo
end subroutine mech_isostrain_init
end subroutine mechanical_isostrain_init
!--------------------------------------------------------------------------------------------------
!> @brief partitions the deformation gradient onto the constituents
!--------------------------------------------------------------------------------------------------
module subroutine mech_isostrain_partitionDeformation(F,avgF)
module subroutine mechanical_isostrain_partitionDeformation(F,avgF)
real(pReal), dimension (:,:,:), intent(out) :: F !< partitioned deformation gradient
@ -84,13 +84,13 @@ module subroutine mech_isostrain_partitionDeformation(F,avgF)
F = spread(avgF,3,size(F,3))
end subroutine mech_isostrain_partitionDeformation
end subroutine mechanical_isostrain_partitionDeformation
!--------------------------------------------------------------------------------------------------
!> @brief derive average stress and stiffness from constituent quantities
!--------------------------------------------------------------------------------------------------
module subroutine mech_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
module subroutine mechanical_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dPdF,instance)
real(pReal), dimension (3,3), intent(out) :: avgP !< average stress at material point
real(pReal), dimension (3,3,3,3), intent(out) :: dAvgPdAvgF !< average stiffness at material point
@ -112,6 +112,6 @@ module subroutine mech_isostrain_averageStressAndItsTangent(avgP,dAvgPdAvgF,P,dP
end associate
end subroutine mech_isostrain_averageStressAndItsTangent
end subroutine mechanical_isostrain_averageStressAndItsTangent
end submodule isostrain

10
src/homogenization_mechanics_none.f90 → src/homogenization_mechanical_pass.f90
View File

@ -4,21 +4,21 @@
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief dummy homogenization homogenization scheme for 1 constituent per material point
!--------------------------------------------------------------------------------------------------
submodule(homogenization:mechanics) none
submodule(homogenization:mechanical) none
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all necessary fields, reads information from material configuration file
!--------------------------------------------------------------------------------------------------
module subroutine mech_none_init
module subroutine mechanical_pass_init
integer :: &
Ninstances, &
h, &
Nmaterialpoints
print'(/,a)', ' <<<+- homogenization:mechanics:none init -+>>>'
print'(/,a)', ' <<<+- homogenization:mechanical:pass init -+>>>'
Ninstances = count(homogenization_type == HOMOGENIZATION_NONE_ID)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
@ -27,7 +27,7 @@ module subroutine mech_none_init
if(homogenization_type(h) /= HOMOGENIZATION_NONE_ID) cycle
if(homogenization_Nconstituents(h) /= 1) &
call IO_error(211,ext_msg='N_constituents (mech_none)')
call IO_error(211,ext_msg='N_constituents (mechanical_pass)')
Nmaterialpoints = count(material_homogenizationAt == h)
homogState(h)%sizeState = 0
@ -36,6 +36,6 @@ module subroutine mech_none_init
enddo
end subroutine mech_none_init
end subroutine mechanical_pass_init
end submodule none

6
src/homogenization_thermal.f90
View File

@ -78,7 +78,7 @@ module subroutine thermal_partition(ce)
T = current(material_homogenizationAt2(ce))%T(material_homogenizationMemberAt2(ce))
dot_T = current(material_homogenizationAt2(ce))%dot_T(material_homogenizationMemberAt2(ce))
do co = 1, homogenization_Nconstituents(material_homogenizationAt2(ce))
call constitutive_thermal_setField(T,dot_T,co,ce)
call phase_thermal_setField(T,dot_T,co,ce)
enddo
end subroutine thermal_partition
@ -91,7 +91,7 @@ module subroutine thermal_homogenize(ip,el)
integer, intent(in) :: ip,el
!call constitutive_thermal_getRate(homogenization_dot_T((el-1)*discretization_nIPs+ip), ip,el)
!call phase_thermal_getRate(homogenization_dot_T((el-1)*discretization_nIPs+ip), ip,el)
end subroutine thermal_homogenize
@ -235,7 +235,7 @@ module subroutine thermal_conduction_getSource(Tdot, ip,el)
do co = 1, homogenization_Nconstituents(ho)
ph = material_phaseAt(co,el)
me = material_phasememberAt(co,ip,el)
call constitutive_thermal_getRate(dot_T_temp, ph,me)
call phase_thermal_getRate(dot_T_temp, ph,me)
Tdot = Tdot + dot_T_temp
enddo

17
src/lattice.f90
View File

@ -459,7 +459,8 @@ subroutine lattice_init
phase, &
mech, &
elasticity, &
thermal
thermal, &
damage
print'(/,a)', ' <<<+- lattice init -+>>>'; flush(IO_STDOUT)
@ -535,13 +536,17 @@ subroutine lattice_init
endif
lattice_D(1,1,ph) = phase%get_asFloat('D_11',defaultVal=0.0_pReal)
lattice_D(2,2,ph) = phase%get_asFloat('D_22',defaultVal=0.0_pReal)
lattice_D(3,3,ph) = phase%get_asFloat('D_33',defaultVal=0.0_pReal)
lattice_D(1:3,1:3,ph) = lattice_applyLatticeSymmetry33(lattice_D(1:3,1:3,ph), &
if (phase%contains('damage')) then
damage => phase%get('damage')
damage => damage%get(1)
lattice_D(1,1,ph) = damage%get_asFloat('D_11',defaultVal=0.0_pReal)
lattice_D(2,2,ph) = damage%get_asFloat('D_22',defaultVal=0.0_pReal)
lattice_D(3,3,ph) = damage%get_asFloat('D_33',defaultVal=0.0_pReal)
lattice_D(1:3,1:3,ph) = lattice_applyLatticeSymmetry33(lattice_D(1:3,1:3,ph), &
phase%get_asString('lattice'))
lattice_M(ph) = phase%get_asFloat('M',defaultVal=0.0_pReal)
lattice_M(ph) = damage%get_asFloat('M',defaultVal=0.0_pReal)
endif
! SHOULD NOT BE PART OF LATTICE END
call selfTest

136
src/material.f90
View File

@ -6,50 +6,26 @@
!--------------------------------------------------------------------------------------------------
module material
use prec
use math
use config
use results
use IO
use rotations
use discretization
use YAML_types
implicit none
private
enum, bind(c); enumerator :: &
THERMAL_ISOTHERMAL_ID, &
THERMAL_CONDUCTION_ID, &
DAMAGE_NONE_ID, &
DAMAGE_NONLOCAL_ID, &
HOMOGENIZATION_UNDEFINED_ID, &
HOMOGENIZATION_NONE_ID, &
HOMOGENIZATION_ISOSTRAIN_ID, &
HOMOGENIZATION_RGC_ID
end enum
integer, dimension(:), allocatable, public, protected :: &
homogenization_Nconstituents !< number of grains in each homogenization
character(len=:), public, protected, allocatable, dimension(:) :: &
material_name_phase, & !< name of each phase
material_name_homogenization !< name of each homogenization
integer(kind(THERMAL_isothermal_ID)), dimension(:), allocatable, public, protected :: &
thermal_type !< thermal transport model
integer(kind(DAMAGE_none_ID)), dimension(:), allocatable, public, protected :: &
damage_type !< nonlocal damage model
integer(kind(HOMOGENIZATION_undefined_ID)), dimension(:), allocatable, public, protected :: &
homogenization_type !< type of each homogenization
integer, public, protected :: &
homogenization_maxNconstituents !< max number of grains in any USED homogenization
integer, dimension(:), allocatable, public, protected :: &
homogenization_Nconstituents, & !< number of grains in each homogenization
homogenization_typeInstance, & !< instance of particular type of each homogenization
thermal_typeInstance, & !< instance of particular type of each thermal transport
damage_typeInstance !< instance of particular type of each nonlocal damage
real(pReal), dimension(:), allocatable, public, protected :: &
thermal_initialT !< initial temperature per each homogenization
integer, dimension(:), allocatable, public, protected :: & ! (elem)
material_homogenizationAt, & !< homogenization ID of each element
material_homogenizationAt2, & !< per cell
@ -63,50 +39,28 @@ module material
integer, dimension(:,:,:), allocatable, public, protected :: & ! (constituent,IP,elem)
material_phaseMemberAt !< position of the element within its phase instance
type(tState), allocatable, dimension(:), public :: &
homogState, &
damageState_h
type(Rotation), dimension(:,:,:), allocatable, public, protected :: &
material_orientation0 !< initial orientation of each grain,IP,element
type(group_float), allocatable, dimension(:), public :: &
damage !< damage field
public :: &
material_init, &
THERMAL_ISOTHERMAL_ID, &
THERMAL_CONDUCTION_ID, &
DAMAGE_NONE_ID, &
DAMAGE_NONLOCAL_ID, &
HOMOGENIZATION_NONE_ID, &
HOMOGENIZATION_ISOSTRAIN_ID, &
HOMOGENIZATION_RGC_ID
material_init
contains
!--------------------------------------------------------------------------------------------------
!> @brief parses material configuration file
!> @brief Parse material configuration file (material.yaml).
!--------------------------------------------------------------------------------------------------
subroutine material_init(restart)
logical, intent(in) :: restart
print'(/,a)', ' <<<+- material init -+>>>'; flush(IO_STDOUT)
call material_parseMaterial
print*, 'Material parsed'
call material_parseHomogenization
print*, 'Homogenization parsed'
allocate(homogState (size(material_name_homogenization)))
allocate(damageState_h (size(material_name_homogenization)))
allocate(damage (size(material_name_homogenization)))
if (.not. restart) then
call results_openJobFile
@ -118,82 +72,6 @@ subroutine material_init(restart)
end subroutine material_init
!--------------------------------------------------------------------------------------------------
!> @brief parses the homogenization part from the material configuration
! ToDo: This should be done in homogenization
!--------------------------------------------------------------------------------------------------
subroutine material_parseHomogenization
class(tNode), pointer :: &
material_homogenization, &
homog, &
homogMech, &
homogThermal, &
homogDamage
integer :: h
material_homogenization => config_material%get('homogenization')
allocate(homogenization_type(size(material_name_homogenization)), source=HOMOGENIZATION_undefined_ID)
allocate(thermal_type(size(material_name_homogenization)), source=THERMAL_isothermal_ID)
allocate(damage_type (size(material_name_homogenization)), source=DAMAGE_none_ID)
allocate(homogenization_typeInstance(size(material_name_homogenization)), source=0)
allocate(thermal_typeInstance(size(material_name_homogenization)), source=0)
allocate(damage_typeInstance(size(material_name_homogenization)), source=0)
allocate(thermal_initialT(size(material_name_homogenization)), source=300.0_pReal)
do h=1, size(material_name_homogenization)
homog => material_homogenization%get(h)
homogMech => homog%get('mechanics')
select case (homogMech%get_asString('type'))
case('none')
homogenization_type(h) = HOMOGENIZATION_NONE_ID
case('isostrain')
homogenization_type(h) = HOMOGENIZATION_ISOSTRAIN_ID
case('RGC')
homogenization_type(h) = HOMOGENIZATION_RGC_ID
case default
call IO_error(500,ext_msg=homogMech%get_asString('type'))
end select
homogenization_typeInstance(h) = count(homogenization_type==homogenization_type(h))
if(homog%contains('thermal')) then
homogThermal => homog%get('thermal')
thermal_initialT(h) = homogThermal%get_asFloat('T_0',defaultVal=300.0_pReal)
select case (homogThermal%get_asString('type'))
case('isothermal')
thermal_type(h) = THERMAL_isothermal_ID
case('conduction')
thermal_type(h) = THERMAL_conduction_ID
case default
call IO_error(500,ext_msg=homogThermal%get_asString('type'))
end select
endif
if(homog%contains('damage')) then
homogDamage => homog%get('damage')
select case (homogDamage%get_asString('type'))
case('none')
damage_type(h) = DAMAGE_none_ID
case('nonlocal')
damage_type(h) = DAMAGE_nonlocal_ID
case default
call IO_error(500,ext_msg=homogDamage%get_asString('type'))
end select
endif
enddo
do h=1, size(material_name_homogenization)
homogenization_typeInstance(h) = count(homogenization_type(1:h) == homogenization_type(h))
thermal_typeInstance(h) = count(thermal_type (1:h) == thermal_type (h))
damage_typeInstance(h) = count(damage_type (1:h) == damage_type (h))
enddo
end subroutine material_parseHomogenization
!--------------------------------------------------------------------------------------------------
!> @brief parses the material part in the material configuration file
@ -265,7 +143,7 @@ subroutine material_parseMaterial
frac = 0.0_pReal
do co = 1, constituents%length
constituent => constituents%get(co)
frac = frac + constituent%get_asFloat('fraction')
frac = frac + constituent%get_asFloat('v')
material_phaseAt(co,el) = phases%getIndex(constituent%get_asString('phase'))
do ip = 1, discretization_nIPs

8
src/mesh/DAMASK_mesh.f90
View File

@ -18,7 +18,7 @@ program DAMASK_mesh
use config
use discretization_mesh
use FEM_Utilities
use mesh_mech_FEM
use mesh_mechanical_FEM
implicit none
@ -242,7 +242,7 @@ program DAMASK_mesh
do field = 1, nActiveFields
select case (loadCases(1)%fieldBC(field)%ID)
case(FIELD_MECH_ID)
call FEM_mech_init(loadCases(1)%fieldBC(field))
call FEM_mechanical_init(loadCases(1)%fieldBC(field))
end select
enddo
@ -306,7 +306,7 @@ program DAMASK_mesh
do field = 1, nActiveFields
select case (loadCases(currentLoadCase)%fieldBC(field)%ID)
case(FIELD_MECH_ID)
call FEM_mech_forward (&
call FEM_mechanical_forward (&
guess,timeinc,timeIncOld,loadCases(currentLoadCase)%fieldBC(field))
end select
@ -320,7 +320,7 @@ program DAMASK_mesh
do field = 1, nActiveFields
select case (loadCases(currentLoadCase)%fieldBC(field)%ID)
case(FIELD_MECH_ID)
solres(field) = FEM_mech_solution (&
solres(field) = FEM_mechanical_solution (&
incInfo,timeinc,timeIncOld,loadCases(currentLoadCase)%fieldBC(field))
end select

12
src/mesh/FEM_utilities.f90
View File

@ -127,12 +127,12 @@ subroutine FEM_utilities_init
CHKERRQ(ierr)
if(debugPETSc) call PetscOptionsInsertString(PETSC_NULL_OPTIONS,trim(PETSCDEBUG),ierr)
CHKERRQ(ierr)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type newtonls &
&-mech_snes_linesearch_type cp -mech_snes_ksp_ew &
&-mech_snes_ksp_ew_rtol0 0.01 -mech_snes_ksp_ew_rtolmax 0.01 &
&-mech_ksp_type fgmres -mech_ksp_max_it 25 &
&-mech_pc_type ml -mech_mg_levels_ksp_type chebyshev &
&-mech_mg_levels_pc_type sor -mech_pc_ml_nullspace user',ierr)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,'-mechanical_snes_type newtonls &
&-mechanical_snes_linesearch_type cp -mechanical_snes_ksp_ew &
&-mechanical_snes_ksp_ew_rtol0 0.01 -mechanical_snes_ksp_ew_rtolmax 0.01 &
&-mechanical_ksp_type fgmres -mechanical_ksp_max_it 25 &
&-mechanical_pc_type ml -mechanical_mg_levels_ksp_type chebyshev &
&-mechanical_mg_levels_pc_type sor -mechanical_pc_ml_nullspace user',ierr)
CHKERRQ(ierr)
call PetscOptionsInsertString(PETSC_NULL_OPTIONS,num_mesh%get_asString('petsc_options',defaultVal=''),ierr)
CHKERRQ(ierr)

110
src/mesh/mesh_mech_FEM.f90
View File

@ -4,7 +4,7 @@
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief FEM PETSc solver
!--------------------------------------------------------------------------------------------------
module mesh_mech_FEM
module mesh_mechanical_FEM
#include <petsc/finclude/petscdmplex.h>
#include <petsc/finclude/petscdm.h>
#include <petsc/finclude/petsc.h>
@ -50,7 +50,7 @@ module mesh_mech_FEM
type(tNumerics), private :: num
!--------------------------------------------------------------------------------------------------
! PETSc data
SNES :: mech_snes
SNES :: mechanical_snes
Vec :: solution, solution_rate, solution_local
PetscInt :: dimPlex, cellDof, nQuadrature, nBasis
PetscReal, allocatable, target :: qPoints(:), qWeights(:)
@ -65,20 +65,20 @@ module mesh_mech_FEM
real(pReal), parameter :: eps = 1.0e-18_pReal
public :: &
FEM_mech_init, &
FEM_mech_solution, &
FEM_mech_forward
FEM_mechanical_init, &
FEM_mechanical_solution, &
FEM_mechanical_forward
contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields and fills them with data
!--------------------------------------------------------------------------------------------------
subroutine FEM_mech_init(fieldBC)
subroutine FEM_mechanical_init(fieldBC)
type(tFieldBC), intent(in) :: fieldBC
DM :: mech_mesh
DM :: mechanical_mesh
PetscFE :: mechFE
PetscQuadrature :: mechQuad, functional
PetscDS :: mechDS
@ -126,8 +126,8 @@ subroutine FEM_mech_init(fieldBC)
!--------------------------------------------------------------------------------------------------
! Setup FEM mech mesh
call DMClone(geomMesh,mech_mesh,ierr); CHKERRQ(ierr)
call DMGetDimension(mech_mesh,dimPlex,ierr); CHKERRQ(ierr)
call DMClone(geomMesh,mechanical_mesh,ierr); CHKERRQ(ierr)
call DMGetDimension(mechanical_mesh,dimPlex,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! Setup FEM mech discretization
@ -146,22 +146,22 @@ subroutine FEM_mech_init(fieldBC)
call PetscFESetQuadrature(mechFE,mechQuad,ierr); CHKERRQ(ierr)
call PetscFEGetDimension(mechFE,nBasis,ierr); CHKERRQ(ierr)
nBasis = nBasis/nc
call DMAddField(mech_mesh,PETSC_NULL_DMLABEL,mechFE,ierr); CHKERRQ(ierr)
call DMCreateDS(mech_mesh,ierr); CHKERRQ(ierr)
call DMGetDS(mech_mesh,mechDS,ierr); CHKERRQ(ierr)
call DMAddField(mechanical_mesh,PETSC_NULL_DMLABEL,mechFE,ierr); CHKERRQ(ierr)
call DMCreateDS(mechanical_mesh,ierr); CHKERRQ(ierr)
call DMGetDS(mechanical_mesh,mechDS,ierr); CHKERRQ(ierr)
call PetscDSGetTotalDimension(mechDS,cellDof,ierr); CHKERRQ(ierr)
call PetscFEDestroy(mechFE,ierr); CHKERRQ(ierr)
call PetscQuadratureDestroy(mechQuad,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! Setup FEM mech boundary conditions
call DMGetLabel(mech_mesh,'Face Sets',BCLabel,ierr); CHKERRQ(ierr)
call DMPlexLabelComplete(mech_mesh,BCLabel,ierr); CHKERRQ(ierr)
call DMGetLocalSection(mech_mesh,section,ierr); CHKERRQ(ierr)
call DMGetLabel(mechanical_mesh,'Face Sets',BCLabel,ierr); CHKERRQ(ierr)
call DMPlexLabelComplete(mechanical_mesh,BCLabel,ierr); CHKERRQ(ierr)
call DMGetLocalSection(mechanical_mesh,section,ierr); CHKERRQ(ierr)
allocate(pnumComp(1), source=dimPlex)
allocate(pnumDof(0:dimPlex), source = 0)
do topologDim = 0, dimPlex
call DMPlexGetDepthStratum(mech_mesh,topologDim,cellStart,cellEnd,ierr)
call DMPlexGetDepthStratum(mechanical_mesh,topologDim,cellStart,cellEnd,ierr)
CHKERRQ(ierr)
call PetscSectionGetDof(section,cellStart,pnumDof(topologDim),ierr)
CHKERRQ(ierr)
@ -179,10 +179,10 @@ subroutine FEM_mech_init(fieldBC)
numBC = numBC + 1
call ISCreateGeneral(PETSC_COMM_WORLD,1,[field-1],PETSC_COPY_VALUES,pbcComps(numBC),ierr)
CHKERRQ(ierr)
call DMGetStratumSize(mech_mesh,'Face Sets',mesh_boundaries(faceSet),bcSize,ierr)
call DMGetStratumSize(mechanical_mesh,'Face Sets',mesh_boundaries(faceSet),bcSize,ierr)
CHKERRQ(ierr)
if (bcSize > 0) then
call DMGetStratumIS(mech_mesh,'Face Sets',mesh_boundaries(faceSet),bcPoint,ierr)
call DMGetStratumIS(mechanical_mesh,'Face Sets',mesh_boundaries(faceSet),bcPoint,ierr)
CHKERRQ(ierr)
call ISGetIndicesF90(bcPoint,pBcPoint,ierr); CHKERRQ(ierr)
call ISCreateGeneral(PETSC_COMM_WORLD,bcSize,pBcPoint,PETSC_COPY_VALUES,pbcPoints(numBC),ierr)
@ -195,32 +195,32 @@ subroutine FEM_mech_init(fieldBC)
endif
endif
enddo; enddo
call DMPlexCreateSection(mech_mesh,nolabel,pNumComp,pNumDof, &
call DMPlexCreateSection(mechanical_mesh,nolabel,pNumComp,pNumDof, &
numBC,pBcField,pBcComps,pBcPoints,PETSC_NULL_IS,section,ierr)
CHKERRQ(ierr)
call DMSetSection(mech_mesh,section,ierr); CHKERRQ(ierr)
call DMSetSection(mechanical_mesh,section,ierr); CHKERRQ(ierr)
do faceSet = 1, numBC
call ISDestroy(pbcPoints(faceSet),ierr); CHKERRQ(ierr)
enddo
!--------------------------------------------------------------------------------------------------
! initialize solver specific parts of PETSc
call SNESCreate(PETSC_COMM_WORLD,mech_snes,ierr);CHKERRQ(ierr)
call SNESSetOptionsPrefix(mech_snes,'mech_',ierr);CHKERRQ(ierr)
call SNESSetDM(mech_snes,mech_mesh,ierr); CHKERRQ(ierr) !< set the mesh for non-linear solver
call DMCreateGlobalVector(mech_mesh,solution ,ierr); CHKERRQ(ierr) !< locally owned displacement Dofs
call DMCreateGlobalVector(mech_mesh,solution_rate ,ierr); CHKERRQ(ierr) !< locally owned velocity Dofs to guess solution at next load step
call DMCreateLocalVector (mech_mesh,solution_local ,ierr); CHKERRQ(ierr) !< locally owned velocity Dofs to guess solution at next load step
call DMSNESSetFunctionLocal(mech_mesh,FEM_mech_formResidual,PETSC_NULL_VEC,ierr) !< function to evaluate residual forces
call SNESCreate(PETSC_COMM_WORLD,mechanical_snes,ierr);CHKERRQ(ierr)
call SNESSetOptionsPrefix(mechanical_snes,'mechanical_',ierr);CHKERRQ(ierr)
call SNESSetDM(mechanical_snes,mechanical_mesh,ierr); CHKERRQ(ierr) !< set the mesh for non-linear solver
call DMCreateGlobalVector(mechanical_mesh,solution ,ierr); CHKERRQ(ierr) !< locally owned displacement Dofs
call DMCreateGlobalVector(mechanical_mesh,solution_rate ,ierr); CHKERRQ(ierr) !< locally owned velocity Dofs to guess solution at next load step
call DMCreateLocalVector (mechanical_mesh,solution_local ,ierr); CHKERRQ(ierr) !< locally owned velocity Dofs to guess solution at next load step
call DMSNESSetFunctionLocal(mechanical_mesh,FEM_mechanical_formResidual,PETSC_NULL_VEC,ierr) !< function to evaluate residual forces
CHKERRQ(ierr)
call DMSNESSetJacobianLocal(mech_mesh,FEM_mech_formJacobian,PETSC_NULL_VEC,ierr) !< function to evaluate stiffness matrix
call DMSNESSetJacobianLocal(mechanical_mesh,FEM_mechanical_formJacobian,PETSC_NULL_VEC,ierr) !< function to evaluate stiffness matrix
CHKERRQ(ierr)
call SNESSetMaxLinearSolveFailures(mech_snes, huge(1), ierr); CHKERRQ(ierr) !< ignore linear solve failures
call SNESSetConvergenceTest(mech_snes,FEM_mech_converged,PETSC_NULL_VEC,PETSC_NULL_FUNCTION,ierr)
call SNESSetMaxLinearSolveFailures(mechanical_snes, huge(1), ierr); CHKERRQ(ierr) !< ignore linear solve failures
call SNESSetConvergenceTest(mechanical_snes,FEM_mechanical_converged,PETSC_NULL_VEC,PETSC_NULL_FUNCTION,ierr)
CHKERRQ(ierr)
call SNESSetTolerances(mech_snes,1.0,0.0,0.0,num%itmax,num%itmax,ierr)
call SNESSetTolerances(mechanical_snes,1.0,0.0,0.0,num%itmax,num%itmax,ierr)
CHKERRQ(ierr)
call SNESSetFromOptions(mech_snes,ierr); CHKERRQ(ierr)
call SNESSetFromOptions(mechanical_snes,ierr); CHKERRQ(ierr)
!--------------------------------------------------------------------------------------------------
! init fields
@ -236,11 +236,11 @@ subroutine FEM_mech_init(fieldBC)
call PetscDSGetDiscretization(mechDS,0,mechFE,ierr)
CHKERRQ(ierr)
call PetscFEGetDualSpace(mechFE,mechDualSpace,ierr); CHKERRQ(ierr)
call DMPlexGetHeightStratum(mech_mesh,0,cellStart,cellEnd,ierr)
call DMPlexGetHeightStratum(mechanical_mesh,0,cellStart,cellEnd,ierr)
CHKERRQ(ierr)
do cell = cellStart, cellEnd-1 !< loop over all elements
x_scal = 0.0_pReal
call DMPlexComputeCellGeometryAffineFEM(mech_mesh,cell,pV0,pCellJ,pInvcellJ,detJ,ierr)
call DMPlexComputeCellGeometryAffineFEM(mechanical_mesh,cell,pV0,pCellJ,pInvcellJ,detJ,ierr)
CHKERRQ(ierr)
cellJMat = reshape(pCellJ,shape=[dimPlex,dimPlex])
do basis = 0, nBasis*dimPlex-1, dimPlex
@ -251,17 +251,17 @@ subroutine FEM_mech_init(fieldBC)
x_scal(basis+1:basis+dimPlex) = pV0 + matmul(transpose(cellJMat),nodalPointsP + 1.0_pReal)
enddo
px_scal => x_scal
call DMPlexVecSetClosure(mech_mesh,section,solution_local,cell,px_scal,5,ierr)
call DMPlexVecSetClosure(mechanical_mesh,section,solution_local,cell,px_scal,5,ierr)
CHKERRQ(ierr)
enddo
end subroutine FEM_mech_init
end subroutine FEM_mechanical_init
!--------------------------------------------------------------------------------------------------
!> @brief solution for the FEM load step
!--------------------------------------------------------------------------------------------------
type(tSolutionState) function FEM_mech_solution( &
type(tSolutionState) function FEM_mechanical_solution( &
incInfoIn,timeinc,timeinc_old,fieldBC)
!--------------------------------------------------------------------------------------------------
@ -278,35 +278,35 @@ type(tSolutionState) function FEM_mech_solution( &
SNESConvergedReason :: reason
incInfo = incInfoIn
FEM_mech_solution%converged =.false.
FEM_mechanical_solution%converged =.false.
!--------------------------------------------------------------------------------------------------
! set module wide availabe data
params%timeinc = timeinc
params%fieldBC = fieldBC
call SNESSolve(mech_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr) ! solve mech_snes based on solution guess (result in solution)
call SNESGetConvergedReason(mech_snes,reason,ierr); CHKERRQ(ierr) ! solution converged?
call SNESSolve(mechanical_snes,PETSC_NULL_VEC,solution,ierr); CHKERRQ(ierr) ! solve mechanical_snes based on solution guess (result in solution)
call SNESGetConvergedReason(mechanical_snes,reason,ierr); CHKERRQ(ierr) ! solution converged?
terminallyIll = .false.
if (reason < 1) then ! 0: still iterating (will not occur), negative -> convergence error
FEM_mech_solution%converged = .false.
FEM_mech_solution%iterationsNeeded = num%itmax
FEM_mechanical_solution%converged = .false.
FEM_mechanical_solution%iterationsNeeded = num%itmax
else ! >= 1 proper convergence (or terminally ill)
FEM_mech_solution%converged = .true.
call SNESGetIterationNumber(mech_snes,FEM_mech_solution%iterationsNeeded,ierr)
FEM_mechanical_solution%converged = .true.
call SNESGetIterationNumber(mechanical_snes,FEM_mechanical_solution%iterationsNeeded,ierr)
CHKERRQ(ierr)
endif
print'(/,a)', ' ==========================================================================='
flush(IO_STDOUT)
end function FEM_mech_solution
end function FEM_mechanical_solution
!--------------------------------------------------------------------------------------------------
!> @brief forms the FEM residual vector
!--------------------------------------------------------------------------------------------------
subroutine FEM_mech_formResidual(dm_local,xx_local,f_local,dummy,ierr)
subroutine FEM_mechanical_formResidual(dm_local,xx_local,f_local,dummy,ierr)
DM :: dm_local
PetscObject,intent(in) :: dummy
@ -431,13 +431,13 @@ subroutine FEM_mech_formResidual(dm_local,xx_local,f_local,dummy,ierr)
enddo
call DMRestoreLocalVector(dm_local,x_local,ierr); CHKERRQ(ierr)
end subroutine FEM_mech_formResidual
end subroutine FEM_mechanical_formResidual
!--------------------------------------------------------------------------------------------------
!> @brief forms the FEM stiffness matrix
!--------------------------------------------------------------------------------------------------
subroutine FEM_mech_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,ierr)
subroutine FEM_mechanical_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,ierr)
DM :: dm_local
@ -575,13 +575,13 @@ subroutine FEM_mech_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,ierr)
call MatSetNearNullSpace(Jac,matnull,ierr); CHKERRQ(ierr)
call MatNullSpaceDestroy(matnull,ierr); CHKERRQ(ierr)
end subroutine FEM_mech_formJacobian
end subroutine FEM_mechanical_formJacobian
!--------------------------------------------------------------------------------------------------
!> @brief forwarding routine
!--------------------------------------------------------------------------------------------------
subroutine FEM_mech_forward(guess,timeinc,timeinc_old,fieldBC)
subroutine FEM_mechanical_forward(guess,timeinc,timeinc_old,fieldBC)
type(tFieldBC), intent(in) :: &
fieldBC
@ -603,7 +603,7 @@ subroutine FEM_mech_forward(guess,timeinc,timeinc_old,fieldBC)
if (guess .and. .not. cutBack) then
ForwardData = .True.
homogenization_F0 = homogenization_F
call SNESGetDM(mech_snes,dm_local,ierr); CHKERRQ(ierr) !< retrieve mesh info from mech_snes into dm_local
call SNESGetDM(mechanical_snes,dm_local,ierr); CHKERRQ(ierr) !< retrieve mesh info from mechanical_snes into dm_local
call DMGetSection(dm_local,section,ierr); CHKERRQ(ierr)
call DMGetLocalVector(dm_local,x_local,ierr); CHKERRQ(ierr)
call VecSet(x_local,0.0_pReal,ierr); CHKERRQ(ierr)
@ -634,13 +634,13 @@ subroutine FEM_mech_forward(guess,timeinc,timeinc_old,fieldBC)
call VecCopy(solution_rate,solution,ierr); CHKERRQ(ierr)
call VecScale(solution,timeinc,ierr); CHKERRQ(ierr)
end subroutine FEM_mech_forward
end subroutine FEM_mechanical_forward
!--------------------------------------------------------------------------------------------------
!> @brief reporting
!--------------------------------------------------------------------------------------------------
subroutine FEM_mech_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
subroutine FEM_mechanical_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dummy,ierr)
SNES :: snes_local
PetscInt :: PETScIter
@ -662,6 +662,6 @@ subroutine FEM_mech_converged(snes_local,PETScIter,xnorm,snorm,fnorm,reason,dumm
' Piola--Kirchhoff stress / MPa =',transpose(P_av)*1.e-6_pReal
flush(IO_STDOUT)
end subroutine FEM_mech_converged
end subroutine FEM_mechanical_converged
end module mesh_mech_FEM
end module mesh_mechanical_FEM

260
src/phase.f90
View File

@ -58,32 +58,28 @@ module phase
type(tDebugOptions) :: debugCrystallite
integer, dimension(:), allocatable, public :: & !< ToDo: should be protected (bug in Intel compiler)
thermal_Nsources, &
phase_Nsources, & !< number of source mechanisms active in each phase
phase_Nkinematics, & !< number of kinematic mechanisms active in each phase
phase_NstiffnessDegradations, & !< number of stiffness degradation mechanisms active in each phase
phase_plasticityInstance, & !< instance of particular plasticity of each phase
phase_elasticityInstance !< instance of particular elasticity of each phase
phase_elasticityInstance, &
phase_NstiffnessDegradations
logical, dimension(:), allocatable, public :: & ! ToDo: should be protected (bug in Intel Compiler)
phase_localPlasticity !< flags phases with local constitutive law
type(tPlasticState), allocatable, dimension(:), public :: &
plasticState
type(tSourceState), allocatable, dimension(:), public :: &
damageState, thermalState
type(tState), allocatable, dimension(:), public :: &
damageState
integer, public, protected :: &
constitutive_plasticity_maxSizeDotState, &
constitutive_source_maxSizeDotState
phase_plasticity_maxSizeDotState, &
phase_source_maxSizeDotState
interface
! == cleaned:begin =================================================================================
module subroutine mech_init(phases)
module subroutine mechanical_init(phases)
class(tNode), pointer :: phases
end subroutine mech_init
end subroutine mechanical_init
module subroutine damage_init
end subroutine damage_init
@ -93,83 +89,83 @@ module phase
end subroutine thermal_init
module subroutine mech_results(group,ph)
module subroutine mechanical_results(group,ph)
character(len=*), intent(in) :: group
integer, intent(in) :: ph
end subroutine mech_results
end subroutine mechanical_results
module subroutine damage_results(group,ph)
character(len=*), intent(in) :: group
integer, intent(in) :: ph
end subroutine damage_results
module subroutine mech_windForward(ph,me)
module subroutine mechanical_windForward(ph,me)
integer, intent(in) :: ph, me
end subroutine mech_windForward
end subroutine mechanical_windForward
module subroutine mech_forward()
end subroutine mech_forward
module subroutine mechanical_forward()
end subroutine mechanical_forward
module subroutine thermal_forward()
end subroutine thermal_forward
module subroutine mech_restore(ce,includeL)
module subroutine mechanical_restore(ce,includeL)
integer, intent(in) :: ce
logical, intent(in) :: includeL
end subroutine mech_restore
end subroutine mechanical_restore
module function constitutive_mech_dPdF(dt,co,ip,el) result(dPdF)
module function phase_mechanical_dPdF(dt,co,ip,el) result(dPdF)
real(pReal), intent(in) :: dt
integer, intent(in) :: &
co, & !< counter in constituent loop
ip, & !< counter in integration point loop
el !< counter in element loop
real(pReal), dimension(3,3,3,3) :: dPdF
end function constitutive_mech_dPdF
end function phase_mechanical_dPdF
module subroutine mech_restartWrite(groupHandle,ph)
module subroutine mechanical_restartWrite(groupHandle,ph)
integer(HID_T), intent(in) :: groupHandle
integer, intent(in) :: ph
end subroutine mech_restartWrite
end subroutine mechanical_restartWrite
module subroutine mech_restartRead(groupHandle,ph)
module subroutine mechanical_restartRead(groupHandle,ph)
integer(HID_T), intent(in) :: groupHandle
integer, intent(in) :: ph
end subroutine mech_restartRead
end subroutine mechanical_restartRead
module function mech_S(ph,me) result(S)
module function mechanical_S(ph,me) result(S)
integer, intent(in) :: ph,me
real(pReal), dimension(3,3) :: S
end function mech_S
end function mechanical_S
module function mech_L_p(ph,me) result(L_p)
module function mechanical_L_p(ph,me) result(L_p)
integer, intent(in) :: ph,me
real(pReal), dimension(3,3) :: L_p
end function mech_L_p
end function mechanical_L_p
module function constitutive_mech_getF(co,ip,el) result(F)
module function phase_mechanical_getF(co,ip,el) result(F)
integer, intent(in) :: co, ip, el
real(pReal), dimension(3,3) :: F
end function constitutive_mech_getF
end function phase_mechanical_getF
module function mech_F_e(ph,me) result(F_e)
module function mechanical_F_e(ph,me) result(F_e)
integer, intent(in) :: ph,me
real(pReal), dimension(3,3) :: F_e
end function mech_F_e
end function mechanical_F_e
module function constitutive_mech_getP(co,ip,el) result(P)
module function phase_mechanical_getP(co,ip,el) result(P)
integer, intent(in) :: co, ip, el
real(pReal), dimension(3,3) :: P
end function constitutive_mech_getP
end function phase_mechanical_getP
module function constitutive_damage_get_phi(co,ip,el) result(phi)
module function phase_damage_get_phi(co,ip,el) result(phi)
integer, intent(in) :: co, ip, el
real(pReal) :: phi
end function constitutive_damage_get_phi
end function phase_damage_get_phi
module function thermal_T(ph,me) result(T)
integer, intent(in) :: ph,me
@ -181,21 +177,26 @@ module phase
real(pReal) :: dot_T
end function thermal_dot_T
module function damage_phi(ph,me) result(phi)
integer, intent(in) :: ph,me
real(pReal) :: phi
end function damage_phi
module subroutine constitutive_mech_setF(F,co,ip,el)
module subroutine phase_mechanical_setF(F,co,ip,el)
real(pReal), dimension(3,3), intent(in) :: F
integer, intent(in) :: co, ip, el
end subroutine constitutive_mech_setF
end subroutine phase_mechanical_setF
module subroutine constitutive_thermal_setField(T,dot_T, co,ce)
module subroutine phase_thermal_setField(T,dot_T, co,ce)
real(pReal), intent(in) :: T, dot_T
integer, intent(in) :: ce, co
end subroutine constitutive_thermal_setField
end subroutine phase_thermal_setField
module subroutine constitutive_damage_set_phi(phi,co,ce)
module subroutine phase_damage_set_phi(phi,co,ce)
real(pReal), intent(in) :: phi
integer, intent(in) :: co, ce
end subroutine constitutive_damage_set_phi
end subroutine phase_damage_set_phi
! == cleaned:end ===================================================================================
@ -222,13 +223,13 @@ module phase
logical :: converged_
end function crystallite_stress
module function constitutive_homogenizedC(ph,me) result(C)
module function phase_homogenizedC(ph,me) result(C)
integer, intent(in) :: ph, me
real(pReal), dimension(6,6) :: C
end function constitutive_homogenizedC
end function phase_homogenizedC
module subroutine constitutive_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi, phi, ip, el)
module subroutine phase_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi, phi, ip, el)
integer, intent(in) :: &
ip, & !< integration point number
el !< element number
@ -237,17 +238,17 @@ module phase
real(pReal), intent(inout) :: &
phiDot, &
dPhiDot_dPhi
end subroutine constitutive_damage_getRateAndItsTangents
end subroutine phase_damage_getRateAndItsTangents
module subroutine constitutive_thermal_getRate(TDot, ph,me)
module subroutine phase_thermal_getRate(TDot, ph,me)
integer, intent(in) :: ph, me
real(pReal), intent(out) :: &
TDot
end subroutine constitutive_thermal_getRate
end subroutine phase_thermal_getRate
module subroutine plastic_nonlocal_updateCompatibility(orientation,instance,i,e)
module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e)
integer, intent(in) :: &
instance, &
ph, &
i, &
e
type(rotation), dimension(1,discretization_nIPs,discretization_Nelems), intent(in) :: &
@ -261,6 +262,27 @@ module phase
el !< element
end subroutine plastic_dependentState
module subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ph,me)
integer, intent(in) :: ph, me
real(pReal), intent(in), dimension(3,3) :: &
S
real(pReal), intent(out), dimension(3,3) :: &
Ld !< damage velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
end subroutine kinematics_cleavage_opening_LiAndItsTangent
module subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ph,me)
integer, intent(in) :: ph, me
real(pReal), intent(in), dimension(3,3) :: &
S
real(pReal), intent(out), dimension(3,3) :: &
Ld !< damage velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
end subroutine kinematics_slipplane_opening_LiAndItsTangent
end interface
@ -281,39 +303,39 @@ module phase
#endif
public :: &
constitutive_init, &
constitutive_homogenizedC, &
constitutive_damage_getRateAndItsTangents, &
constitutive_thermal_getRate, &
constitutive_results, &
constitutive_allocateState, &
constitutive_forward, &
constitutive_restore, &
phase_init, &
phase_homogenizedC, &
phase_damage_getRateAndItsTangents, &
phase_thermal_getRate, &
phase_results, &
phase_allocateState, &
phase_forward, &
phase_restore, &
plastic_nonlocal_updateCompatibility, &
converged, &
crystallite_init, &
crystallite_stress, &
thermal_stress, &
constitutive_mech_dPdF, &
phase_mechanical_dPdF, &
crystallite_orientations, &
crystallite_push33ToRef, &
constitutive_restartWrite, &
constitutive_restartRead, &
phase_restartWrite, &
phase_restartRead, &
integrateDamageState, &
constitutive_thermal_setField, &
constitutive_damage_set_phi, &
constitutive_damage_get_phi, &
constitutive_mech_getP, &
constitutive_mech_setF, &
constitutive_mech_getF, &
constitutive_windForward
phase_thermal_setField, &
phase_damage_set_phi, &
phase_damage_get_phi, &
phase_mechanical_getP, &
phase_mechanical_setF, &
phase_mechanical_getF, &
phase_windForward
contains
!--------------------------------------------------------------------------------------------------
!> @brief Initialze constitutive models for individual physics
!--------------------------------------------------------------------------------------------------
subroutine constitutive_init
subroutine phase_init
integer :: &
ph, & !< counter in phase loop
@ -336,33 +358,31 @@ subroutine constitutive_init
phases => config_material%get('phase')
call mech_init(phases)
call mechanical_init(phases)
call damage_init
call thermal_init(phases)
constitutive_source_maxSizeDotState = 0
phase_source_maxSizeDotState = 0
PhaseLoop2:do ph = 1,phases%length
!--------------------------------------------------------------------------------------------------
! partition and initialize state
plasticState(ph)%state = plasticState(ph)%state0
forall(so = 1:phase_Nsources(ph))
damageState(ph)%p(so)%state = damageState(ph)%p(so)%state0
end forall
constitutive_source_maxSizeDotState = max(constitutive_source_maxSizeDotState, &
maxval(damageState(ph)%p%sizeDotState))
plasticState(ph)%state = plasticState(ph)%state0
if(damageState(ph)%sizeState > 0) &
damageState(ph)%state = damageState(ph)%state0
enddo PhaseLoop2
constitutive_plasticity_maxSizeDotState = maxval(plasticState%sizeDotState)
end subroutine constitutive_init
phase_source_maxSizeDotState = maxval(damageState%sizeDotState)
phase_plasticity_maxSizeDotState = maxval(plasticState%sizeDotState)
end subroutine phase_init
!--------------------------------------------------------------------------------------------------
!> @brief Allocate the components of the state structure for a given phase
!--------------------------------------------------------------------------------------------------
subroutine constitutive_allocateState(state, &
Nconstituents,sizeState,sizeDotState,sizeDeltaState)
subroutine phase_allocateState(state, &
Nconstituents,sizeState,sizeDotState,sizeDeltaState)
class(tState), intent(out) :: &
state
@ -387,58 +407,56 @@ subroutine constitutive_allocateState(state, &
allocate(state%deltaState (sizeDeltaState,Nconstituents), source=0.0_pReal)
end subroutine constitutive_allocateState
end subroutine phase_allocateState
!--------------------------------------------------------------------------------------------------
!> @brief Restore data after homog cutback.
!--------------------------------------------------------------------------------------------------
subroutine constitutive_restore(ce,includeL)
subroutine phase_restore(ce,includeL)
logical, intent(in) :: includeL
integer, intent(in) :: ce
integer :: &
co, & !< constituent number
so
co
do co = 1,homogenization_Nconstituents(material_homogenizationAt2(ce))
do so = 1, phase_Nsources(material_phaseAt2(co,ce))
damageState(material_phaseAt2(co,ce))%p(so)%state( :,material_phasememberAt2(co,ce)) = &
damageState(material_phaseAt2(co,ce))%p(so)%state0(:,material_phasememberAt2(co,ce))
enddo
if (damageState(material_phaseAt2(co,ce))%sizeState > 0) &
damageState(material_phaseAt2(co,ce))%state( :,material_phasememberAt2(co,ce)) = &
damageState(material_phaseAt2(co,ce))%state0(:,material_phasememberAt2(co,ce))
enddo
call mech_restore(ce,includeL)
call mechanical_restore(ce,includeL)
end subroutine constitutive_restore
end subroutine phase_restore
!--------------------------------------------------------------------------------------------------
!> @brief Forward data after successful increment.
! ToDo: Any guessing for the current states possible?
!--------------------------------------------------------------------------------------------------
subroutine constitutive_forward()
subroutine phase_forward()
integer :: ph, so
integer :: ph
call mech_forward()
call mechanical_forward()
call thermal_forward()
do ph = 1, size(damageState)
do so = 1,phase_Nsources(ph)
damageState(ph)%p(so)%state0 = damageState(ph)%p(so)%state
enddo; enddo
if (damageState(ph)%sizeState > 0) &
damageState(ph)%state0 = damageState(ph)%state
enddo
end subroutine constitutive_forward
end subroutine phase_forward
!--------------------------------------------------------------------------------------------------
!> @brief writes constitutive results to HDF5 output file
!--------------------------------------------------------------------------------------------------
subroutine constitutive_results()
subroutine phase_results()
integer :: ph
character(len=:), allocatable :: group
@ -451,12 +469,12 @@ subroutine constitutive_results()
group = '/current/phase/'//trim(material_name_phase(ph))//'/'
call results_closeGroup(results_addGroup(group))
call mech_results(group,ph)
call mechanical_results(group,ph)
call damage_results(group,ph)
enddo
end subroutine constitutive_results
end subroutine phase_results
!--------------------------------------------------------------------------------------------------
@ -526,9 +544,8 @@ subroutine crystallite_init()
phases => config_material%get('phase')
do ph = 1, phases%length
do so = 1, phase_Nsources(ph)
allocate(damageState(ph)%p(so)%subState0,source=damageState(ph)%p(so)%state0) ! ToDo: hack
enddo
if (damageState(ph)%sizeState > 0) &
allocate(damageState(ph)%subState0,source=damageState(ph)%state0) ! ToDo: hack
enddo
print'(a42,1x,i10)', ' # of elements: ', eMax
@ -557,7 +574,7 @@ end subroutine crystallite_init
!--------------------------------------------------------------------------------------------------
!> @brief Wind homog inc forward.
!--------------------------------------------------------------------------------------------------
subroutine constitutive_windForward(ip,el)
subroutine phase_windForward(ip,el)
integer, intent(in) :: &
ip, & !< integration point number
@ -572,15 +589,14 @@ subroutine constitutive_windForward(ip,el)
ph = material_phaseAt(co,el)
me = material_phaseMemberAt(co,ip,el)
call mech_windForward(ph,me)
call mechanical_windForward(ph,me)
if(damageState(ph)%sizeState > 0) damageState(ph)%state0(:,me) = damageState(ph)%state(:,me)
do so = 1, phase_Nsources(material_phaseAt(co,el))
damageState(ph)%p(so)%state0(:,me) = damageState(ph)%p(so)%state(:,me)
enddo
enddo
end subroutine constitutive_windForward
end subroutine phase_windForward
!--------------------------------------------------------------------------------------------------
@ -595,11 +611,11 @@ subroutine crystallite_orientations(co,ip,el)
call crystallite_orientation(co,ip,el)%fromMatrix(transpose(math_rotationalPart(&
mech_F_e(material_phaseAt(co,el),material_phaseMemberAt(co,ip,el)))))
mechanical_F_e(material_phaseAt(co,el),material_phaseMemberAt(co,ip,el)))))
if (plasticState(material_phaseAt(1,el))%nonlocal) &
call plastic_nonlocal_updateCompatibility(crystallite_orientation, &
phase_plasticityInstance(material_phaseAt(1,el)),ip,el)
material_phaseAt(1,el),ip,el)
end subroutine crystallite_orientations
@ -620,7 +636,7 @@ function crystallite_push33ToRef(co,ip,el, tensor33)
real(pReal), dimension(3,3) :: T
T = matmul(material_orientation0(co,ip,el)%asMatrix(),transpose(math_inv33(constitutive_mech_getF(co,ip,el)))) ! ToDo: initial orientation correct?
T = matmul(material_orientation0(co,ip,el)%asMatrix(),transpose(math_inv33(phase_mechanical_getF(co,ip,el)))) ! ToDo: initial orientation correct?
crystallite_push33ToRef = matmul(transpose(T),matmul(tensor33,T))
@ -648,7 +664,7 @@ end function converged
!> @brief Write current restart information (Field and constitutive data) to file.
! ToDo: Merge data into one file for MPI
!--------------------------------------------------------------------------------------------------
subroutine constitutive_restartWrite(fileHandle)
subroutine phase_restartWrite(fileHandle)
integer(HID_T), intent(in) :: fileHandle
@ -662,7 +678,7 @@ subroutine constitutive_restartWrite(fileHandle)
groupHandle(2) = HDF5_addGroup(groupHandle(1),material_name_phase(ph))
call mech_restartWrite(groupHandle(2),ph)
call mechanical_restartWrite(groupHandle(2),ph)
call HDF5_closeGroup(groupHandle(2))
@ -670,14 +686,14 @@ subroutine constitutive_restartWrite(fileHandle)
call HDF5_closeGroup(groupHandle(1))
end subroutine constitutive_restartWrite
end subroutine phase_restartWrite
!--------------------------------------------------------------------------------------------------
!> @brief Read data for restart
! ToDo: Merge data into one file for MPI
!--------------------------------------------------------------------------------------------------
subroutine constitutive_restartRead(fileHandle)
subroutine phase_restartRead(fileHandle)
integer(HID_T), intent(in) :: fileHandle
@ -691,7 +707,7 @@ subroutine constitutive_restartRead(fileHandle)
groupHandle(2) = HDF5_openGroup(groupHandle(1),material_name_phase(ph))
call mech_restartRead(groupHandle(2),ph)
call mechanical_restartRead(groupHandle(2),ph)
call HDF5_closeGroup(groupHandle(2))
@ -699,7 +715,7 @@ subroutine constitutive_restartRead(fileHandle)
call HDF5_closeGroup(groupHandle(1))
end subroutine constitutive_restartRead
end subroutine phase_restartRead
end module phase

267
src/phase_damage.f90
View File

@ -15,110 +15,92 @@ submodule(phase) damagee
real(pReal), dimension(:), allocatable :: phi, d_phi_d_dot_phi
end type tDataContainer
integer(kind(DAMAGE_UNDEFINED_ID)), dimension(:,:), allocatable :: &
integer(kind(DAMAGE_UNDEFINED_ID)), dimension(:), allocatable :: &
phase_source !< active sources mechanisms of each phase
integer, dimension(:), allocatable :: &
phase_Nsources
type(tDataContainer), dimension(:), allocatable :: current
interface
module function anisobrittle_init(source_length) result(mySources)
integer, intent(in) :: source_length
logical, dimension(:,:), allocatable :: mySources
module function anisobrittle_init() result(mySources)
logical, dimension(:), allocatable :: mySources
end function anisobrittle_init
module function anisoductile_init(source_length) result(mySources)
integer, intent(in) :: source_length
logical, dimension(:,:), allocatable :: mySources
module function anisoductile_init() result(mySources)
logical, dimension(:), allocatable :: mySources
end function anisoductile_init
module function isobrittle_init(source_length) result(mySources)
integer, intent(in) :: source_length
logical, dimension(:,:), allocatable :: mySources
module function isobrittle_init() result(mySources)
logical, dimension(:), allocatable :: mySources
end function isobrittle_init
module function isoductile_init(source_length) result(mySources)
integer, intent(in) :: source_length
logical, dimension(:,:), allocatable :: mySources
module function isoductile_init() result(mySources)
logical, dimension(:), allocatable :: mySources
end function isoductile_init
module subroutine source_damage_isoBrittle_deltaState(C, Fe, ph, me)
module subroutine isobrittle_deltaState(C, Fe, ph, me)
integer, intent(in) :: ph,me
real(pReal), intent(in), dimension(3,3) :: &
Fe
real(pReal), intent(in), dimension(6,6) :: &
C
end subroutine source_damage_isoBrittle_deltaState
end subroutine isobrittle_deltaState
module subroutine anisobrittle_dotState(S, co, ip, el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
module subroutine anisobrittle_dotState(S, ph, me)
integer, intent(in) :: ph,me
real(pReal), intent(in), dimension(3,3) :: &
S
end subroutine anisobrittle_dotState
module subroutine anisoductile_dotState(co, ip, el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
module subroutine anisoductile_dotState(ph,me)
integer, intent(in) :: ph,me
end subroutine anisoductile_dotState
module subroutine isoductile_dotState(co, ip, el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
module subroutine isoductile_dotState(ph,me)
integer, intent(in) :: ph,me
end subroutine isoductile_dotState
module subroutine source_damage_anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
integer, intent(in) :: &
phase, & !< phase ID of element
constituent !< position of element within its phase instance
module subroutine anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph, me)
integer, intent(in) :: ph,me
real(pReal), intent(in) :: &
phi !< damage parameter
real(pReal), intent(out) :: &
localphiDot, &
dLocalphiDot_dPhi
end subroutine source_damage_anisoBrittle_getRateAndItsTangent
end subroutine anisobrittle_getRateAndItsTangent
module subroutine source_damage_anisoDuctile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
integer, intent(in) :: &
phase, & !< phase ID of element
constituent !< position of element within its phase instance
module subroutine anisoductile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph,me)
integer, intent(in) :: ph,me
real(pReal), intent(in) :: &
phi !< damage parameter
real(pReal), intent(out) :: &
localphiDot, &
dLocalphiDot_dPhi
end subroutine source_damage_anisoDuctile_getRateAndItsTangent
end subroutine anisoductile_getRateAndItsTangent
module subroutine source_damage_isoBrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
integer, intent(in) :: &
phase, & !< phase ID of element
constituent !< position of element within its phase instance
module subroutine isobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph,me)
integer, intent(in) :: ph,me
real(pReal), intent(in) :: &
phi !< damage parameter
real(pReal), intent(out) :: &
localphiDot, &
dLocalphiDot_dPhi
end subroutine source_damage_isoBrittle_getRateAndItsTangent
end subroutine isobrittle_getRateAndItsTangent
module subroutine source_damage_isoDuctile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
integer, intent(in) :: &
phase, & !< phase ID of element
constituent !< position of element within its phase instance
module subroutine isoductile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph,me)
integer, intent(in) :: ph,me
real(pReal), intent(in) :: &
phi !< damage parameter
real(pReal), intent(out) :: &
localphiDot, &
dLocalphiDot_dPhi
end subroutine source_damage_isoDuctile_getRateAndItsTangent
end subroutine isoductile_getRateAndItsTangent
module subroutine anisobrittle_results(phase,group)
integer, intent(in) :: phase
@ -175,19 +157,20 @@ module subroutine damage_init
allocate(current(ph)%d_phi_d_dot_phi(Nconstituents),source=0.0_pReal)
phase => phases%get(ph)
sources => phase%get('source',defaultVal=emptyList)
sources => phase%get('damage',defaultVal=emptyList)
if (sources%length > 1) error stop
phase_Nsources(ph) = sources%length
allocate(damageState(ph)%p(phase_Nsources(ph)))
enddo
allocate(phase_source(maxval(phase_Nsources),phases%length), source = DAMAGE_UNDEFINED_ID)
allocate(phase_source(phases%length), source = DAMAGE_UNDEFINED_ID)
! initialize source mechanisms
if(maxval(phase_Nsources) /= 0) then
where(isobrittle_init (maxval(phase_Nsources))) phase_source = DAMAGE_ISOBRITTLE_ID
where(isoductile_init (maxval(phase_Nsources))) phase_source = DAMAGE_ISODUCTILE_ID
where(anisobrittle_init (maxval(phase_Nsources))) phase_source = DAMAGE_ANISOBRITTLE_ID
where(anisoductile_init (maxval(phase_Nsources))) phase_source = DAMAGE_ANISODUCTILE_ID
where(isobrittle_init() ) phase_source = DAMAGE_ISOBRITTLE_ID
where(isoductile_init() ) phase_source = DAMAGE_ISODUCTILE_ID
where(anisobrittle_init()) phase_source = DAMAGE_ANISOBRITTLE_ID
where(anisoductile_init()) phase_source = DAMAGE_ANISODUCTILE_ID
endif
end subroutine damage_init
@ -196,7 +179,7 @@ end subroutine damage_init
!----------------------------------------------------------------------------------------------
!< @brief returns local part of nonlocal damage driving force
!----------------------------------------------------------------------------------------------
module subroutine constitutive_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi, phi, ip, el)
module subroutine phase_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi, phi, ip, el)
integer, intent(in) :: &
ip, & !< integration point number
@ -213,7 +196,6 @@ module subroutine constitutive_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi
integer :: &
ph, &
co, &
so, &
me
phiDot = 0.0_pReal
@ -222,19 +204,19 @@ module subroutine constitutive_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi
do co = 1, homogenization_Nconstituents(material_homogenizationAt(el))
ph = material_phaseAt(co,el)
me = material_phasememberAt(co,ip,el)
do so = 1, phase_Nsources(ph)
select case(phase_source(so,ph))
select case(phase_source(ph))
case (DAMAGE_ISOBRITTLE_ID)
call source_damage_isobrittle_getRateAndItsTangent (localphiDot, dLocalphiDot_dPhi, phi, ph, me)
call isobrittle_getRateAndItsTangent (localphiDot, dLocalphiDot_dPhi, phi, ph, me)
case (DAMAGE_ISODUCTILE_ID)
call source_damage_isoductile_getRateAndItsTangent (localphiDot, dLocalphiDot_dPhi, phi, ph, me)
call isoductile_getRateAndItsTangent (localphiDot, dLocalphiDot_dPhi, phi, ph, me)
case (DAMAGE_ANISOBRITTLE_ID)
call source_damage_anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph, me)
call anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph, me)
case (DAMAGE_ANISODUCTILE_ID)
call source_damage_anisoductile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph, me)
call anisoductile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph, me)
case default
localphiDot = 0.0_pReal
@ -243,10 +225,9 @@ module subroutine constitutive_damage_getRateAndItsTangents(phiDot, dPhiDot_dPhi
end select
phiDot = phiDot + localphiDot
dPhiDot_dPhi = dPhiDot_dPhi + dLocalphiDot_dPhi
enddo
enddo
end subroutine constitutive_damage_getRateAndItsTangents
end subroutine phase_damage_getRateAndItsTangents
@ -267,60 +248,55 @@ module function integrateDamageState(dt,co,ip,el) result(broken)
NiterationState, & !< number of iterations in state loop
ph, &
me, &
so
integer, dimension(maxval(phase_Nsources)) :: &
size_so
real(pReal) :: &
zeta
real(pReal), dimension(constitutive_source_maxSizeDotState) :: &
real(pReal), dimension(phase_source_maxSizeDotState) :: &
r ! state residuum
real(pReal), dimension(constitutive_source_maxSizeDotState,2,maxval(phase_Nsources)) :: source_dotState
real(pReal), dimension(phase_source_maxSizeDotState,2) :: source_dotState
logical :: &
converged_
ph = material_phaseAt(co,el)
me = material_phaseMemberAt(co,ip,el)
if (damageState(ph)%sizeState == 0) then
broken = .false.
return
endif
converged_ = .true.
broken = constitutive_damage_collectDotState(co,ip,el,ph,me)
broken = phase_damage_collectDotState(ph,me)
if(broken) return
do so = 1, phase_Nsources(ph)
size_so(so) = damageState(ph)%p(so)%sizeDotState
damageState(ph)%p(so)%state(1:size_so(so),me) = damageState(ph)%p(so)%subState0(1:size_so(so),me) &
+ damageState(ph)%p(so)%dotState (1:size_so(so),me) * dt
source_dotState(1:size_so(so),2,so) = 0.0_pReal
enddo
size_so = damageState(ph)%sizeDotState
damageState(ph)%state(1:size_so,me) = damageState(ph)%subState0(1:size_so,me) &
+ damageState(ph)%dotState (1:size_so,me) * dt
source_dotState(1:size_so,2) = 0.0_pReal
iteration: do NiterationState = 1, num%nState
do so = 1, phase_Nsources(ph)
if(nIterationState > 1) source_dotState(1:size_so(so),2,so) = source_dotState(1:size_so(so),1,so)
source_dotState(1:size_so(so),1,so) = damageState(ph)%p(so)%dotState(:,me)
enddo
if(nIterationState > 1) source_dotState(1:size_so,2) = source_dotState(1:size_so,1)
source_dotState(1:size_so,1) = damageState(ph)%dotState(:,me)
broken = constitutive_damage_collectDotState(co,ip,el,ph,me)
broken = phase_damage_collectDotState(ph,me)
if(broken) exit iteration
do so = 1, phase_Nsources(ph)
zeta = damper(damageState(ph)%p(so)%dotState(:,me), &
source_dotState(1:size_so(so),1,so),&
source_dotState(1:size_so(so),2,so))
damageState(ph)%p(so)%dotState(:,me) = damageState(ph)%p(so)%dotState(:,me) * zeta &
+ source_dotState(1:size_so(so),1,so)* (1.0_pReal - zeta)
r(1:size_so(so)) = damageState(ph)%p(so)%state (1:size_so(so),me) &
- damageState(ph)%p(so)%subState0(1:size_so(so),me) &
- damageState(ph)%p(so)%dotState (1:size_so(so),me) * dt
damageState(ph)%p(so)%state(1:size_so(so),me) = damageState(ph)%p(so)%state(1:size_so(so),me) &
- r(1:size_so(so))
converged_ = converged_ .and. converged(r(1:size_so(so)), &
damageState(ph)%p(so)%state(1:size_so(so),me), &
damageState(ph)%p(so)%atol(1:size_so(so)))
enddo
zeta = damper(damageState(ph)%dotState(:,me),source_dotState(1:size_so,1),source_dotState(1:size_so,2))
damageState(ph)%dotState(:,me) = damageState(ph)%dotState(:,me) * zeta &
+ source_dotState(1:size_so,1)* (1.0_pReal - zeta)
r(1:size_so) = damageState(ph)%state (1:size_so,me) &
- damageState(ph)%subState0(1:size_so,me) &
- damageState(ph)%dotState (1:size_so,me) * dt
damageState(ph)%state(1:size_so,me) = damageState(ph)%state(1:size_so,me) - r(1:size_so)
converged_ = converged_ .and. converged(r(1:size_so), &
damageState(ph)%state(1:size_so,me), &
damageState(ph)%atol(1:size_so))
if(converged_) then
broken = constitutive_damage_deltaState(mech_F_e(ph,me),ph,me)
broken = phase_damage_deltaState(mechanical_F_e(ph,me),ph,me)
exit iteration
endif
@ -366,10 +342,10 @@ module subroutine damage_results(group,ph)
sourceLoop: do so = 1, phase_Nsources(ph)
if (phase_source(so,ph) /= DAMAGE_UNDEFINED_ID) &
if (phase_source(ph) /= DAMAGE_UNDEFINED_ID) &
call results_closeGroup(results_addGroup(group//'sources/')) ! should be 'damage'
sourceType: select case (phase_source(so,ph))
sourceType: select case (phase_source(ph))
case (DAMAGE_ISOBRITTLE_ID) sourceType
call isobrittle_results(ph,group//'sources/')
@ -393,41 +369,36 @@ end subroutine damage_results
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the rate of change of microstructure
!--------------------------------------------------------------------------------------------------
function constitutive_damage_collectDotState(co,ip,el,ph,me) result(broken)
function phase_damage_collectDotState(ph,me) result(broken)
integer, intent(in) :: &
co, & !< component-ID me integration point
ip, & !< integration point
el, & !< element
ph, &
me
integer :: &
so !< counter in source loop
me !< counter in source loop
logical :: broken
broken = .false.
SourceLoop: do so = 1, phase_Nsources(ph)
if (damageState(ph)%sizeState > 0) then
sourceType: select case (phase_source(so,ph))
sourceType: select case (phase_source(ph))
case (DAMAGE_ISODUCTILE_ID) sourceType
call isoductile_dotState(co, ip, el)
call isoductile_dotState(ph,me)
case (DAMAGE_ANISODUCTILE_ID) sourceType
call anisoductile_dotState(co, ip, el)
call anisoductile_dotState(ph,me)
case (DAMAGE_ANISOBRITTLE_ID) sourceType
call anisobrittle_dotState(mech_S(ph,me),co, ip, el) ! correct stress?
call anisobrittle_dotState(mechanical_S(ph,me), ph,me) ! correct stress?
end select sourceType
broken = broken .or. any(IEEE_is_NaN(damageState(ph)%p(so)%dotState(:,me)))
broken = broken .or. any(IEEE_is_NaN(damageState(ph)%dotState(:,me)))
enddo SourceLoop
endif
end function constitutive_damage_collectDotState
end function phase_damage_collectDotState
@ -435,7 +406,7 @@ end function constitutive_damage_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
!--------------------------------------------------------------------------------------------------
function constitutive_damage_deltaState(Fe, ph, me) result(broken)
function phase_damage_deltaState(Fe, ph, me) result(broken)
integer, intent(in) :: &
ph, &
@ -443,7 +414,6 @@ function constitutive_damage_deltaState(Fe, ph, me) result(broken)
real(pReal), intent(in), dimension(3,3) :: &
Fe !< elastic deformation gradient
integer :: &
so, &
myOffset, &
mySize
logical :: &
@ -452,52 +422,48 @@ function constitutive_damage_deltaState(Fe, ph, me) result(broken)
broken = .false.
sourceLoop: do so = 1, phase_Nsources(ph)
if (damageState(ph)%sizeState == 0) return
sourceType: select case (phase_source(so,ph))
sourceType: select case (phase_source(ph))
case (DAMAGE_ISOBRITTLE_ID) sourceType
call source_damage_isoBrittle_deltaState(constitutive_homogenizedC(ph,me), Fe, ph,me)
broken = any(IEEE_is_NaN(damageState(ph)%p(so)%deltaState(:,me)))
call isobrittle_deltaState(phase_homogenizedC(ph,me), Fe, ph,me)
broken = any(IEEE_is_NaN(damageState(ph)%deltaState(:,me)))
if(.not. broken) then
myOffset = damageState(ph)%p(so)%offsetDeltaState
mySize = damageState(ph)%p(so)%sizeDeltaState
damageState(ph)%p(so)%state(myOffset + 1: myOffset + mySize,me) = &
damageState(ph)%p(so)%state(myOffset + 1: myOffset + mySize,me) + damageState(ph)%p(so)%deltaState(1:mySize,me)
myOffset = damageState(ph)%offsetDeltaState
mySize = damageState(ph)%sizeDeltaState
damageState(ph)%state(myOffset + 1: myOffset + mySize,me) = &
damageState(ph)%state(myOffset + 1: myOffset + mySize,me) + damageState(ph)%deltaState(1:mySize,me)
endif
end select sourceType
enddo SourceLoop
end function constitutive_damage_deltaState
end function phase_damage_deltaState
!--------------------------------------------------------------------------------------------------
!> @brief checks if a source mechanism is active or not
!--------------------------------------------------------------------------------------------------
function source_active(source_label,src_length) result(active_source)
function source_active(source_label) result(active_source)
character(len=*), intent(in) :: source_label !< name of source mechanism
integer, intent(in) :: src_length !< max. number of sources in system
logical, dimension(:,:), allocatable :: active_source
logical, dimension(:), allocatable :: active_source
class(tNode), pointer :: &
phases, &
phase, &
sources, &
src
integer :: p,s
integer :: ph
phases => config_material%get('phase')
allocate(active_source(src_length,phases%length), source = .false. )
do p = 1, phases%length
phase => phases%get(p)
sources => phase%get('source',defaultVal=emptyList)
do s = 1, sources%length
src => sources%get(s)
if(src%get_asString('type') == source_label) active_source(s,p) = .true.
enddo
allocate(active_source(phases%length))
do ph = 1, phases%length
phase => phases%get(ph)
sources => phase%get('damage',defaultVal=emptyList)
src => sources%get(1)
active_source(ph) = src%get_asString('type',defaultVal = 'x') == source_label
enddo
@ -507,7 +473,7 @@ end function source_active
!----------------------------------------------------------------------------------------------
!< @brief Set damage parameter
!----------------------------------------------------------------------------------------------
module subroutine constitutive_damage_set_phi(phi,co,ce)
module subroutine phase_damage_set_phi(phi,co,ce)
real(pReal), intent(in) :: phi
integer, intent(in) :: ce, co
@ -515,17 +481,28 @@ module subroutine constitutive_damage_set_phi(phi,co,ce)
current(material_phaseAt2(co,ce))%phi(material_phaseMemberAt2(co,ce)) = phi
end subroutine constitutive_damage_set_phi
end subroutine phase_damage_set_phi
module function constitutive_damage_get_phi(co,ip,el) result(phi)
module function phase_damage_get_phi(co,ip,el) result(phi)
integer, intent(in) :: co, ip, el
real(pReal) :: phi
phi = current(material_phaseAt(co,el))%phi(material_phaseMemberAt(co,ip,el))
end function constitutive_damage_get_phi
end function phase_damage_get_phi
module function damage_phi(ph,me) result(phi)
integer, intent(in) :: ph, me
real(pReal) :: phi
phi = current(ph)%phi(me)
end function damage_phi
end submodule damagee

180
src/phase_damage_anisobrittle.f90
View File

@ -6,10 +6,6 @@
!--------------------------------------------------------------------------------------------------
submodule (phase:damagee) anisobrittle
integer, dimension(:), allocatable :: &
source_damage_anisoBrittle_offset, & !< which source is my current source mechanism?
source_damage_anisoBrittle_instance !< instance of source mechanism
type :: tParameters !< container type for internal constitutive parameters
real(pReal) :: &
dot_o, & !< opening rate of cleavage planes
@ -35,42 +31,38 @@ contains
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module function anisobrittle_init(source_length) result(mySources)
module function anisobrittle_init() result(mySources)
integer, intent(in) :: source_length
logical, dimension(:,:), allocatable :: mySources
logical, dimension(:), allocatable :: mySources
class(tNode), pointer :: &
phases, &
phase, &
sources, &
src
integer :: Ninstances,sourceOffset,Nconstituents,p
integer :: Nconstituents,p
integer, dimension(:), allocatable :: N_cl
character(len=pStringLen) :: extmsg = ''
print'(/,a)', ' <<<+- phase:damage:anisobrittle init -+>>>'
mySources = source_active('damage_anisoBrittle',source_length)
Ninstances = count(mySources)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
mySources = source_active('anisobrittle')
if(count(mySources) == 0) return
print'(/,a)', ' <<<+- phase:damage:anisobrittle init -+>>>'
print'(a,i0)', ' # phases: ',count(mySources); flush(IO_STDOUT)
phases => config_material%get('phase')
allocate(param(Ninstances))
allocate(source_damage_anisoBrittle_offset (phases%length), source=0)
allocate(source_damage_anisoBrittle_instance(phases%length), source=0)
allocate(param(phases%length))
do p = 1, phases%length
if(mySources(p)) then
phase => phases%get(p)
if(any(mySources(:,p))) source_damage_anisoBrittle_instance(p) = count(mySources(:,1:p))
if(count(mySources(:,p)) == 0) cycle
sources => phase%get('source')
do sourceOffset = 1, sources%length
if(mySources(sourceOffset,p)) then
source_damage_anisoBrittle_offset(p) = sourceOffset
associate(prm => param(source_damage_anisoBrittle_instance(p)))
src => sources%get(sourceOffset)
sources => phase%get('damage')
associate(prm => param(p))
src => sources%get(1)
N_cl = src%get_asInts('N_cl',defaultVal=emptyIntArray)
prm%sum_N_cl = sum(abs(N_cl))
@ -101,9 +93,9 @@ module function anisobrittle_init(source_length) result(mySources)
if (any(prm%s_crit < 0.0_pReal)) extmsg = trim(extmsg)//' s_crit'
Nconstituents = count(material_phaseAt==p) * discretization_nIPs
call constitutive_allocateState(damageState(p)%p(sourceOffset),Nconstituents,1,1,0)
damageState(p)%p(sourceOffset)%atol = src%get_asFloat('anisobrittle_atol',defaultVal=1.0e-3_pReal)
if(any(damageState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' anisobrittle_atol'
call phase_allocateState(damageState(p),Nconstituents,1,1,0)
damageState(p)%atol = src%get_asFloat('anisobrittle_atol',defaultVal=1.0e-3_pReal)
if(any(damageState(p)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' anisobrittle_atol'
end associate
@ -111,7 +103,7 @@ module function anisobrittle_init(source_length) result(mySources)
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(damage_anisoBrittle)')
endif
enddo
enddo
end function anisobrittle_init
@ -120,18 +112,14 @@ end function anisobrittle_init
!--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state
!--------------------------------------------------------------------------------------------------
module subroutine anisobrittle_dotState(S, co, ip, el)
module subroutine anisobrittle_dotState(S, ph,me)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
ph,me
real(pReal), intent(in), dimension(3,3) :: &
S
integer :: &
ph, &
me, &
sourceOffset, &
damageOffset, &
homog, &
@ -139,28 +127,22 @@ module subroutine anisobrittle_dotState(S, co, ip, el)
real(pReal) :: &
traction_d, traction_t, traction_n, traction_crit
ph = material_phaseAt(co,el)
me = material_phasememberAt(co,ip,el)
sourceOffset = source_damage_anisoBrittle_offset(ph)
homog = material_homogenizationAt(el)
damageOffset = material_homogenizationMemberAt(ip,el)
associate(prm => param(source_damage_anisoBrittle_instance(ph)))
damageState(ph)%p(sourceOffset)%dotState(1,me) = 0.0_pReal
do i = 1, prm%sum_N_cl
traction_d = math_tensordot(S,prm%cleavage_systems(1:3,1:3,1,i))
traction_t = math_tensordot(S,prm%cleavage_systems(1:3,1:3,2,i))
traction_n = math_tensordot(S,prm%cleavage_systems(1:3,1:3,3,i))
associate(prm => param(ph))
damageState(ph)%dotState(1,me) = 0.0_pReal
do i = 1, prm%sum_N_cl
traction_d = math_tensordot(S,prm%cleavage_systems(1:3,1:3,1,i))
traction_t = math_tensordot(S,prm%cleavage_systems(1:3,1:3,2,i))
traction_n = math_tensordot(S,prm%cleavage_systems(1:3,1:3,3,i))
traction_crit = prm%g_crit(i)*damage(homog)%p(damageOffset)**2.0_pReal
traction_crit = prm%g_crit(i)*damage_phi(ph,me)**2.0_pReal
damageState(ph)%p(sourceOffset)%dotState(1,me) &
= damageState(ph)%p(sourceOffset)%dotState(1,me) &
+ prm%dot_o / prm%s_crit(i) &
* ((max(0.0_pReal, abs(traction_d) - traction_crit)/traction_crit)**prm%q + &
(max(0.0_pReal, abs(traction_t) - traction_crit)/traction_crit)**prm%q + &
(max(0.0_pReal, abs(traction_n) - traction_crit)/traction_crit)**prm%q)
enddo
damageState(ph)%dotState(1,me) = damageState(ph)%dotState(1,me) &
+ prm%dot_o / prm%s_crit(i) &
* ((max(0.0_pReal, abs(traction_d) - traction_crit)/traction_crit)**prm%q + &
(max(0.0_pReal, abs(traction_t) - traction_crit)/traction_crit)**prm%q + &
(max(0.0_pReal, abs(traction_n) - traction_crit)/traction_crit)**prm%q)
enddo
end associate
end subroutine anisobrittle_dotState
@ -169,28 +151,24 @@ end subroutine anisobrittle_dotState
!--------------------------------------------------------------------------------------------------
!> @brief returns local part of nonlocal damage driving force
!--------------------------------------------------------------------------------------------------
module subroutine source_damage_anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
module subroutine anisobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph, me)
integer, intent(in) :: &
phase, &
constituent
ph, &
me
real(pReal), intent(in) :: &
phi
real(pReal), intent(out) :: &
localphiDot, &
dLocalphiDot_dPhi
integer :: &
sourceOffset
sourceOffset = source_damage_anisoBrittle_offset(phase)
dLocalphiDot_dPhi = -damageState(phase)%p(sourceOffset)%state(1,constituent)
dLocalphiDot_dPhi = -damageState(ph)%state(1,me)
localphiDot = 1.0_pReal &
+ dLocalphiDot_dPhi*phi
end subroutine source_damage_anisoBrittle_getRateAndItsTangent
end subroutine anisobrittle_getRateAndItsTangent
!--------------------------------------------------------------------------------------------------
@ -203,16 +181,78 @@ module subroutine anisobrittle_results(phase,group)
integer :: o
associate(prm => param(source_damage_anisoBrittle_instance(phase)), &
stt => damageState(phase)%p(source_damage_anisoBrittle_offset(phase))%state)
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case ('f_phi')
call results_writeDataset(group,stt,trim(prm%output(o)),'driving force','J/m³')
end select
enddo outputsLoop
associate(prm => param(phase), stt => damageState(phase)%state)
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case ('f_phi')
call results_writeDataset(group,stt,trim(prm%output(o)),'driving force','J/m³')
end select
enddo outputsLoop
end associate
end subroutine anisobrittle_results
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
!--------------------------------------------------------------------------------------------------
module subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ph,me)
integer, intent(in) :: &
ph,me
real(pReal), intent(in), dimension(3,3) :: &
S
real(pReal), intent(out), dimension(3,3) :: &
Ld !< damage velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
integer :: &
i, k, l, m, n
real(pReal) :: &
traction_d, traction_t, traction_n, traction_crit, &
udotd, dudotd_dt, udott, dudott_dt, udotn, dudotn_dt
Ld = 0.0_pReal
dLd_dTstar = 0.0_pReal
associate(prm => param(ph))
do i = 1,prm%sum_N_cl
traction_crit = prm%g_crit(i)*damage_phi(ph,me)**2.0_pReal
traction_d = math_tensordot(S,prm%cleavage_systems(1:3,1:3,1,i))
if (abs(traction_d) > traction_crit + tol_math_check) then
udotd = sign(1.0_pReal,traction_d)* prm%dot_o * ((abs(traction_d) - traction_crit)/traction_crit)**prm%q
Ld = Ld + udotd*prm%cleavage_systems(1:3,1:3,1,i)
dudotd_dt = sign(1.0_pReal,traction_d)*udotd*prm%q / (abs(traction_d) - traction_crit)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
+ dudotd_dt*prm%cleavage_systems(k,l,1,i) * prm%cleavage_systems(m,n,1,i)
endif
traction_t = math_tensordot(S,prm%cleavage_systems(1:3,1:3,2,i))
if (abs(traction_t) > traction_crit + tol_math_check) then
udott = sign(1.0_pReal,traction_t)* prm%dot_o * ((abs(traction_t) - traction_crit)/traction_crit)**prm%q
Ld = Ld + udott*prm%cleavage_systems(1:3,1:3,2,i)
dudott_dt = sign(1.0_pReal,traction_t)*udott*prm%q / (abs(traction_t) - traction_crit)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
+ dudott_dt*prm%cleavage_systems(k,l,2,i) * prm%cleavage_systems(m,n,2,i)
endif
traction_n = math_tensordot(S,prm%cleavage_systems(1:3,1:3,3,i))
if (abs(traction_n) > traction_crit + tol_math_check) then
udotn = sign(1.0_pReal,traction_n)* prm%dot_o * ((abs(traction_n) - traction_crit)/traction_crit)**prm%q
Ld = Ld + udotn*prm%cleavage_systems(1:3,1:3,3,i)
dudotn_dt = sign(1.0_pReal,traction_n)*udotn*prm%q / (abs(traction_n) - traction_crit)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
+ dudotn_dt*prm%cleavage_systems(k,l,3,i) * prm%cleavage_systems(m,n,3,i)
endif
enddo
end associate
end subroutine kinematics_cleavage_opening_LiAndItsTangent
end submodule anisobrittle

110
src/phase_damage_anisoductile.f90
View File

@ -6,10 +6,6 @@
!--------------------------------------------------------------------------------------------------
submodule(phase:damagee) anisoductile
integer, dimension(:), allocatable :: &
source_damage_anisoDuctile_offset, & !< which source is my current damage mechanism?
source_damage_anisoDuctile_instance !< instance of damage source mechanism
type :: tParameters !< container type for internal constitutive parameters
real(pReal) :: &
q !< damage rate sensitivity
@ -19,7 +15,7 @@ submodule(phase:damagee) anisoductile
output
end type tParameters
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstances)
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters
contains
@ -28,10 +24,9 @@ contains
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module function anisoductile_init(source_length) result(mySources)
module function anisoductile_init() result(mySources)
integer, intent(in) :: source_length
logical, dimension(:,:), allocatable :: mySources
logical, dimension(:), allocatable :: mySources
class(tNode), pointer :: &
phases, &
@ -40,34 +35,31 @@ module function anisoductile_init(source_length) result(mySources)
pl, &
sources, &
src
integer :: Ninstances,sourceOffset,Nconstituents,p
integer :: Ninstances,Nconstituents,p
integer, dimension(:), allocatable :: N_sl
character(len=pStringLen) :: extmsg = ''
print'(/,a)', ' <<<+- phase:damage:anisoductile init -+>>>'
mySources = source_active('damage_anisoDuctile',source_length)
Ninstances = count(mySources)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
mySources = source_active('anisoductile')
if(count(mySources) == 0) return
print'(/,a)', ' <<<+- phase:damage:anisoductile init -+>>>'
print'(a,i0)', ' # phases: ',count(mySources); flush(IO_STDOUT)
phases => config_material%get('phase')
allocate(param(Ninstances))
allocate(source_damage_anisoDuctile_offset (phases%length), source=0)
allocate(source_damage_anisoDuctile_instance(phases%length), source=0)
allocate(param(phases%length))
do p = 1, phases%length
phase => phases%get(p)
if(any(mySources(:,p))) source_damage_anisoDuctile_instance(p) = count(mySources(:,1:p))
if(count(mySources(:,p)) == 0) cycle
mech => phase%get('mechanics')
pl => mech%get('plasticity')
sources => phase%get('source')
do sourceOffset = 1, sources%length
if(mySources(sourceOffset,p)) then
source_damage_anisoDuctile_offset(p) = sourceOffset
associate(prm => param(source_damage_anisoDuctile_instance(p)))
src => sources%get(sourceOffset)
if(mySources(p)) then
phase => phases%get(p)
mech => phase%get('mechanics')
pl => mech%get('plasticity')
sources => phase%get('damage')
associate(prm => param(p))
src => sources%get(1)
N_sl = pl%get_asInts('N_sl',defaultVal=emptyIntArray)
prm%q = src%get_asFloat('q')
@ -86,10 +78,10 @@ module function anisoductile_init(source_length) result(mySources)
if (prm%q <= 0.0_pReal) extmsg = trim(extmsg)//' q'
if (any(prm%gamma_crit < 0.0_pReal)) extmsg = trim(extmsg)//' gamma_crit'
Nconstituents=count(material_phaseAt==p) * discretization_nIPs
call constitutive_allocateState(damageState(p)%p(sourceOffset),Nconstituents,1,1,0)
damageState(p)%p(sourceOffset)%atol = src%get_asFloat('anisoDuctile_atol',defaultVal=1.0e-3_pReal)
if(any(damageState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' anisoductile_atol'
Nconstituents=count(material_phaseAt2==p)
call phase_allocateState(damageState(p),Nconstituents,1,1,0)
damageState(p)%atol = src%get_asFloat('anisoDuctile_atol',defaultVal=1.0e-3_pReal)
if(any(damageState(p)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' anisoductile_atol'
end associate
@ -97,7 +89,7 @@ module function anisoductile_init(source_length) result(mySources)
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(damage_anisoDuctile)')
endif
enddo
enddo
@ -107,29 +99,15 @@ end function anisoductile_init
!--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state
!--------------------------------------------------------------------------------------------------
module subroutine anisoductile_dotState(co, ip, el)
module subroutine anisoductile_dotState(ph,me)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
integer :: &
ph, &
me, &
sourceOffset, &
damageOffset, &
homog
me
ph = material_phaseAt(co,el)
me = material_phasememberAt(co,ip,el)
sourceOffset = source_damage_anisoDuctile_offset(ph)
homog = material_homogenizationAt(el)
damageOffset = material_homogenizationMemberAt(ip,el)
associate(prm => param(source_damage_anisoDuctile_instance(ph)))
damageState(ph)%p(sourceOffset)%dotState(1,me) &
= sum(plasticState(ph)%slipRate(:,me)/(damage(homog)%p(damageOffset)**prm%q)/prm%gamma_crit)
associate(prm => param(ph))
damageState(ph)%dotState(1,me) = sum(plasticState(ph)%slipRate(:,me)/(damage_phi(ph,me)**prm%q)/prm%gamma_crit)
end associate
end subroutine anisoductile_dotState
@ -138,28 +116,24 @@ end subroutine anisoductile_dotState
!--------------------------------------------------------------------------------------------------
!> @brief returns local part of nonlocal damage driving force
!--------------------------------------------------------------------------------------------------
module subroutine source_damage_anisoDuctile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
module subroutine anisoductile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph,me)
integer, intent(in) :: &
phase, &
constituent
ph, &
me
real(pReal), intent(in) :: &
phi
real(pReal), intent(out) :: &
localphiDot, &
dLocalphiDot_dPhi
integer :: &
sourceOffset
sourceOffset = source_damage_anisoDuctile_offset(phase)
dLocalphiDot_dPhi = -damageState(phase)%p(sourceOffset)%state(1,constituent)
dLocalphiDot_dPhi = -damageState(ph)%state(1,me)
localphiDot = 1.0_pReal &
+ dLocalphiDot_dPhi*phi
end subroutine source_damage_anisoDuctile_getRateAndItsTangent
end subroutine anisoductile_getRateAndItsTangent
!--------------------------------------------------------------------------------------------------
@ -172,14 +146,14 @@ module subroutine anisoductile_results(phase,group)
integer :: o
associate(prm => param(source_damage_anisoDuctile_instance(phase)), &
stt => damageState(phase)%p(source_damage_anisoDuctile_offset(phase))%state)
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case ('f_phi')
call results_writeDataset(group,stt,trim(prm%output(o)),'driving force','J/m³')
end select
enddo outputsLoop
associate(prm => param(phase), stt => damageState(phase)%state)
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case ('f_phi')
call results_writeDataset(group,stt,trim(prm%output(o)),'driving force','J/m³')
end select
enddo outputsLoop
end associate
end subroutine anisoductile_results

109
src/phase_damage_isobrittle.f90
View File

@ -6,10 +6,6 @@
!--------------------------------------------------------------------------------------------------
submodule(phase:damagee) isobrittle
integer, dimension(:), allocatable :: &
source_damage_isoBrittle_offset, &
source_damage_isoBrittle_instance
type :: tParameters !< container type for internal constitutive parameters
real(pReal) :: &
W_crit !< critical elastic strain energy
@ -26,41 +22,36 @@ contains
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module function isobrittle_init(source_length) result(mySources)
module function isobrittle_init() result(mySources)
integer, intent(in) :: source_length
logical, dimension(:,:), allocatable :: mySources
logical, dimension(:), allocatable :: mySources
class(tNode), pointer :: &
phases, &
phase, &
sources, &
src
integer :: Ninstances,sourceOffset,Nconstituents,p
integer :: Nconstituents,p
character(len=pStringLen) :: extmsg = ''
print'(/,a)', ' <<<+- phase:damage:isobrittle init -+>>>'
mySources = source_active('damage_isoBrittle',source_length)
Ninstances = count(mySources)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
mySources = source_active('isobrittle')
if(count(mySources) == 0) return
print'(/,a)', ' <<<+- phase:damage:isobrittle init -+>>>'
print'(a,i0)', ' # phases: ',count(mySources); flush(IO_STDOUT)
phases => config_material%get('phase')
allocate(param(Ninstances))
allocate(source_damage_isoBrittle_offset (phases%length), source=0)
allocate(source_damage_isoBrittle_instance(phases%length), source=0)
allocate(param(phases%length))
do p = 1, phases%length
if(mySources(p)) then
phase => phases%get(p)
if(any(mySources(:,p))) source_damage_isoBrittle_instance(p) = count(mySources(:,1:p))
if(count(mySources(:,p)) == 0) cycle
sources => phase%get('source')
do sourceOffset = 1, sources%length
if(mySources(sourceOffset,p)) then
source_damage_isoBrittle_offset(p) = sourceOffset
associate(prm => param(source_damage_isoBrittle_instance(p)))
src => sources%get(sourceOffset)
sources => phase%get('damage')
associate(prm => param(p))
src => sources%get(1)
prm%W_crit = src%get_asFloat('W_crit')
@ -73,10 +64,10 @@ module function isobrittle_init(source_length) result(mySources)
! sanity checks
if (prm%W_crit <= 0.0_pReal) extmsg = trim(extmsg)//' W_crit'
Nconstituents = count(material_phaseAt==p) * discretization_nIPs
call constitutive_allocateState(damageState(p)%p(sourceOffset),Nconstituents,1,1,1)
damageState(p)%p(sourceOffset)%atol = src%get_asFloat('isoBrittle_atol',defaultVal=1.0e-3_pReal)
if(any(damageState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isobrittle_atol'
Nconstituents = count(material_phaseAt2==p)
call phase_allocateState(damageState(p),Nconstituents,1,1,1)
damageState(p)%atol = src%get_asFloat('isoBrittle_atol',defaultVal=1.0e-3_pReal)
if(any(damageState(p)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isobrittle_atol'
end associate
@ -84,7 +75,7 @@ module function isobrittle_init(source_length) result(mySources)
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(damage_isoBrittle)')
endif
enddo
enddo
@ -94,7 +85,7 @@ end function isobrittle_init
!--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state
!--------------------------------------------------------------------------------------------------
module subroutine source_damage_isoBrittle_deltaState(C, Fe, ph,me)
module subroutine isobrittle_deltaState(C, Fe, ph,me)
integer, intent(in) :: ph,me
real(pReal), intent(in), dimension(3,3) :: &
@ -102,60 +93,47 @@ module subroutine source_damage_isoBrittle_deltaState(C, Fe, ph,me)
real(pReal), intent(in), dimension(6,6) :: &
C
integer :: &
sourceOffset
real(pReal), dimension(6) :: &
strain
real(pReal) :: &
strainenergy
sourceOffset = source_damage_isoBrittle_offset(ph)
strain = 0.5_pReal*math_sym33to6(matmul(transpose(Fe),Fe)-math_I3)
associate(prm => param(source_damage_isoBrittle_instance(ph)))
strainenergy = 2.0_pReal*sum(strain*matmul(C,strain))/prm%W_crit
! ToDo: check strainenergy = 2.0_pReal*dot_product(strain,matmul(C,strain))/prm%W_crit
associate(prm => param(ph))
strainenergy = 2.0_pReal*sum(strain*matmul(C,strain))/prm%W_crit
! ToDo: check strainenergy = 2.0_pReal*dot_product(strain,matmul(C,strain))/prm%W_crit
if (strainenergy > damageState(ph)%p(sourceOffset)%subState0(1,me)) then
damageState(ph)%p(sourceOffset)%deltaState(1,me) = &
strainenergy - damageState(ph)%p(sourceOffset)%state(1,me)
else
damageState(ph)%p(sourceOffset)%deltaState(1,me) = &
damageState(ph)%p(sourceOffset)%subState0(1,me) - &
damageState(ph)%p(sourceOffset)%state(1,me)
endif
damageState(ph)%deltaState(1,me) = merge(strainenergy - damageState(ph)%state(1,me), &
damageState(ph)%subState0(1,me) - damageState(ph)%state(1,me), &
strainenergy > damageState(ph)%subState0(1,me))
end associate
end subroutine source_damage_isoBrittle_deltaState
end subroutine isobrittle_deltaState
!--------------------------------------------------------------------------------------------------
!> @brief returns local part of nonlocal damage driving force
!--------------------------------------------------------------------------------------------------
module subroutine source_damage_isoBrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
module subroutine isobrittle_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph, me)
integer, intent(in) :: &
phase, &
constituent
ph, me
real(pReal), intent(in) :: &
phi
real(pReal), intent(out) :: &
localphiDot, &
dLocalphiDot_dPhi
integer :: &
sourceOffset
sourceOffset = source_damage_isoBrittle_offset(phase)
associate(prm => param(source_damage_isoBrittle_instance(phase)))
localphiDot = 1.0_pReal &
- phi*damageState(phase)%p(sourceOffset)%state(1,constituent)
dLocalphiDot_dPhi = - damageState(phase)%p(sourceOffset)%state(1,constituent)
associate(prm => param(ph))
localphiDot = 1.0_pReal &
- phi*damageState(ph)%state(1,me)
dLocalphiDot_dPhi = - damageState(ph)%state(1,me)
end associate
end subroutine source_damage_isoBrittle_getRateAndItsTangent
end subroutine isobrittle_getRateAndItsTangent
!--------------------------------------------------------------------------------------------------
@ -168,14 +146,15 @@ module subroutine isobrittle_results(phase,group)
integer :: o
associate(prm => param(source_damage_isoBrittle_instance(phase)), &
stt => damageState(phase)%p(source_damage_isoBrittle_offset(phase))%state)
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case ('f_phi')
call results_writeDataset(group,stt,trim(prm%output(o)),'driving force','J/m³')
end select
enddo outputsLoop
associate(prm => param(phase), &
stt => damageState(phase)%state)
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case ('f_phi')
call results_writeDataset(group,stt,trim(prm%output(o)),'driving force','J/m³')
end select
enddo outputsLoop
end associate
end subroutine isobrittle_results

102
src/phase_damage_isoductile.f90
View File

@ -6,10 +6,6 @@
!--------------------------------------------------------------------------------------------------
submodule(phase:damagee) isoductile
integer, dimension(:), allocatable :: &
source_damage_isoDuctile_offset, & !< which source is my current damage mechanism?
source_damage_isoDuctile_instance !< instance of damage source mechanism
type:: tParameters !< container type for internal constitutive parameters
real(pReal) :: &
gamma_crit, & !< critical plastic strain
@ -28,41 +24,36 @@ contains
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module function isoductile_init(source_length) result(mySources)
module function isoductile_init() result(mySources)
integer, intent(in) :: source_length
logical, dimension(:,:), allocatable :: mySources
logical, dimension(:), allocatable :: mySources
class(tNode), pointer :: &
phases, &
phase, &
sources, &
src
integer :: Ninstances,sourceOffset,Nconstituents,p
integer :: Ninstances,Nconstituents,p
character(len=pStringLen) :: extmsg = ''
print'(/,a)', ' <<<+- phase:damage:isoductile init -+>>>'
mySources = source_active('damage_isoDuctile',source_length)
Ninstances = count(mySources)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
mySources = source_active('isoductile')
if(count(mySources) == 0) return
print'(/,a)', ' <<<+- phase:damage:isoductile init -+>>>'
print'(a,i0)', ' # phases: ',count(mySources); flush(IO_STDOUT)
phases => config_material%get('phase')
allocate(param(Ninstances))
allocate(source_damage_isoDuctile_offset (phases%length), source=0)
allocate(source_damage_isoDuctile_instance(phases%length), source=0)
allocate(param(phases%length))
do p = 1, phases%length
phase => phases%get(p)
if(count(mySources(:,p)) == 0) cycle
if(any(mySources(:,p))) source_damage_isoDuctile_instance(p) = count(mySources(:,1:p))
sources => phase%get('source')
do sourceOffset = 1, sources%length
if(mySources(sourceOffset,p)) then
source_damage_isoDuctile_offset(p) = sourceOffset
associate(prm => param(source_damage_isoDuctile_instance(p)))
src => sources%get(sourceOffset)
if(mySources(p)) then
phase => phases%get(p)
sources => phase%get('damage')
associate(prm => param(p))
src => sources%get(1)
prm%q = src%get_asFloat('q')
prm%gamma_crit = src%get_asFloat('gamma_crit')
@ -77,10 +68,10 @@ module function isoductile_init(source_length) result(mySources)
if (prm%q <= 0.0_pReal) extmsg = trim(extmsg)//' q'
if (prm%gamma_crit <= 0.0_pReal) extmsg = trim(extmsg)//' gamma_crit'
Nconstituents=count(material_phaseAt==p) * discretization_nIPs
call constitutive_allocateState(damageState(p)%p(sourceOffset),Nconstituents,1,1,0)
damageState(p)%p(sourceOffset)%atol = src%get_asFloat('isoDuctile_atol',defaultVal=1.0e-3_pReal)
if(any(damageState(p)%p(sourceOffset)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isoductile_atol'
Nconstituents=count(material_phaseAt2==p)
call phase_allocateState(damageState(p),Nconstituents,1,1,0)
damageState(p)%atol = src%get_asFloat('isoDuctile_atol',defaultVal=1.0e-3_pReal)
if(any(damageState(p)%atol < 0.0_pReal)) extmsg = trim(extmsg)//' isoductile_atol'
end associate
@ -88,7 +79,6 @@ module function isoductile_init(source_length) result(mySources)
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(damage_isoDuctile)')
endif
enddo
enddo
@ -98,29 +88,16 @@ end function isoductile_init
!--------------------------------------------------------------------------------------------------
!> @brief calculates derived quantities from state
!--------------------------------------------------------------------------------------------------
module subroutine isoductile_dotState(co, ip, el)
module subroutine isoductile_dotState(ph, me)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
integer :: &
ph, &
me, &
sourceOffset, &
damageOffset, &
homog
me
ph = material_phaseAt(co,el)
me = material_phasememberAt(co,ip,el)
sourceOffset = source_damage_isoDuctile_offset(ph)
homog = material_homogenizationAt(el)
damageOffset = material_homogenizationMemberAt(ip,el)
associate(prm => param(source_damage_isoDuctile_instance(ph)))
damageState(ph)%p(sourceOffset)%dotState(1,me) = &
sum(plasticState(ph)%slipRate(:,me))/(damage(homog)%p(damageOffset)**prm%q)/prm%gamma_crit
associate(prm => param(ph))
damageState(ph)%dotState(1,me) = sum(plasticState(ph)%slipRate(:,me)) &
/ (prm%gamma_crit*damage_phi(ph,me)**prm%q)
end associate
end subroutine isoductile_dotState
@ -129,28 +106,24 @@ end subroutine isoductile_dotState
!--------------------------------------------------------------------------------------------------
!> @brief returns local part of nonlocal damage driving force
!--------------------------------------------------------------------------------------------------
module subroutine source_damage_isoDuctile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, phase, constituent)
module subroutine isoductile_getRateAndItsTangent(localphiDot, dLocalphiDot_dPhi, phi, ph, me)
integer, intent(in) :: &
phase, &
constituent
ph, &
me
real(pReal), intent(in) :: &
phi
real(pReal), intent(out) :: &
localphiDot, &
dLocalphiDot_dPhi
integer :: &
sourceOffset
sourceOffset = source_damage_isoDuctile_offset(phase)
dLocalphiDot_dPhi = -damageState(phase)%p(sourceOffset)%state(1,constituent)
dLocalphiDot_dPhi = -damageState(ph)%state(1,me)
localphiDot = 1.0_pReal &
+ dLocalphiDot_dPhi*phi
end subroutine source_damage_isoDuctile_getRateAndItsTangent
end subroutine isoductile_getRateAndItsTangent
!--------------------------------------------------------------------------------------------------
@ -163,14 +136,13 @@ module subroutine isoductile_results(phase,group)
integer :: o
associate(prm => param(source_damage_isoDuctile_instance(phase)), &
stt => damageState(phase)%p(source_damage_isoDuctile_offset(phase))%state)
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case ('f_phi')
call results_writeDataset(group,stt,trim(prm%output(o)),'driving force','J/m³')
end select
enddo outputsLoop
associate(prm => param(phase), stt => damageState(phase)%state)
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case ('f_phi')
call results_writeDataset(group,stt,trim(prm%output(o)),'driving force','J/m³')
end select
enddo outputsLoop
end associate
end subroutine isoductile_results

471
src/phase_mechanics.f90 → src/phase_mechanical.f90
View File

@ -1,7 +1,8 @@
!----------------------------------------------------------------------------------------------------
!> @brief internal microstructure state for all plasticity constitutive models
!----------------------------------------------------------------------------------------------------
submodule(phase) mechanics
submodule(phase) mechanical
enum, bind(c); enumerator :: &
ELASTICITY_UNDEFINED_ID, &
@ -22,8 +23,6 @@ submodule(phase) mechanics
KINEMATICS_THERMAL_EXPANSION_ID
end enum
integer(kind(KINEMATICS_UNDEFINED_ID)), dimension(:,:), allocatable :: &
phase_kinematics
integer(kind(ELASTICITY_UNDEFINED_ID)), dimension(:), allocatable :: &
phase_elasticity !< elasticity of each phase
integer(kind(STIFFNESS_DEGRADATION_UNDEFINED_ID)), dimension(:,:), allocatable :: &
@ -31,21 +30,21 @@ submodule(phase) mechanics
type(tTensorContainer), dimension(:), allocatable :: &
! current value
constitutive_mech_Fe, &
constitutive_mech_Fi, &
constitutive_mech_Fp, &
constitutive_mech_F, &
constitutive_mech_Li, &
constitutive_mech_Lp, &
constitutive_mech_S, &
constitutive_mech_P, &
phase_mechanical_Fe, &
phase_mechanical_Fi, &
phase_mechanical_Fp, &
phase_mechanical_F, &
phase_mechanical_Li, &
phase_mechanical_Lp, &
phase_mechanical_S, &
phase_mechanical_P, &
! converged value at end of last solver increment
constitutive_mech_Fi0, &
constitutive_mech_Fp0, &
constitutive_mech_F0, &
constitutive_mech_Li0, &
constitutive_mech_Lp0, &
constitutive_mech_S0
phase_mechanical_Fi0, &
phase_mechanical_Fp0, &
phase_mechanical_F0, &
phase_mechanical_Li0, &
phase_mechanical_Lp0, &
phase_mechanical_S0
integer(kind(PLASTICITY_undefined_ID)), dimension(:), allocatable :: &
@ -61,7 +60,7 @@ submodule(phase) mechanics
module subroutine plastic_init
end subroutine plastic_init
module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,me)
module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,ph,me)
real(pReal), dimension(3,3), intent(out) :: &
Li !< inleastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -69,7 +68,7 @@ submodule(phase) mechanics
real(pReal), dimension(3,3), intent(in) :: &
Mi !< Mandel stress
integer, intent(in) :: &
instance, &
ph, &
me
end subroutine plastic_isotropic_LiAndItsTangent
@ -86,24 +85,18 @@ submodule(phase) mechanics
logical :: broken
end function plastic_dotState
module function plastic_deltaState(co, ip, el, ph, me) result(broken)
module function plastic_deltaState(ph, me) result(broken)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el, & !< element
ph, &
me
logical :: &
broken
end function plastic_deltaState
module subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
S, Fi, co, ip, el)
module subroutine phase_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
S, Fi, ph,me)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
ph,me
real(pReal), intent(in), dimension(3,3) :: &
S !< 2nd Piola-Kirchhoff stress
real(pReal), intent(in), dimension(3,3) :: &
@ -114,15 +107,13 @@ submodule(phase) mechanics
dLi_dS, & !< derivative of Li with respect to S
dLi_dFi
end subroutine constitutive_LiAndItsTangents
end subroutine phase_LiAndItsTangents
module subroutine plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
S, Fi, co, ip, el)
S, Fi, ph,me)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
ph,me
real(pReal), intent(in), dimension(3,3) :: &
S, & !< 2nd Piola-Kirchhoff stress
Fi !< intermediate deformation gradient
@ -134,33 +125,33 @@ submodule(phase) mechanics
end subroutine plastic_LpAndItsTangents
module subroutine plastic_isotropic_results(instance,group)
integer, intent(in) :: instance
module subroutine plastic_isotropic_results(ph,group)
integer, intent(in) :: ph
character(len=*), intent(in) :: group
end subroutine plastic_isotropic_results
module subroutine plastic_phenopowerlaw_results(instance,group)
integer, intent(in) :: instance
module subroutine plastic_phenopowerlaw_results(ph,group)
integer, intent(in) :: ph
character(len=*), intent(in) :: group
end subroutine plastic_phenopowerlaw_results
module subroutine plastic_kinehardening_results(instance,group)
integer, intent(in) :: instance
module subroutine plastic_kinehardening_results(ph,group)
integer, intent(in) :: ph
character(len=*), intent(in) :: group
end subroutine plastic_kinehardening_results
module subroutine plastic_dislotwin_results(instance,group)
integer, intent(in) :: instance
module subroutine plastic_dislotwin_results(ph,group)
integer, intent(in) :: ph
character(len=*), intent(in) :: group
end subroutine plastic_dislotwin_results
module subroutine plastic_dislotungsten_results(instance,group)
integer, intent(in) :: instance
module subroutine plastic_dislotungsten_results(ph,group)
integer, intent(in) :: ph
character(len=*), intent(in) :: group
end subroutine plastic_dislotungsten_results
module subroutine plastic_nonlocal_results(instance,group)
integer, intent(in) :: instance
module subroutine plastic_nonlocal_results(ph,group)
integer, intent(in) :: ph
character(len=*), intent(in) :: group
end subroutine plastic_nonlocal_results
@ -186,7 +177,7 @@ contains
!> @brief Initialize mechanical field related constitutive models
!> @details Initialize elasticity, plasticity and stiffness degradation models.
!--------------------------------------------------------------------------------------------------
module subroutine mech_init(phases)
module subroutine mechanical_init(phases)
class(tNode), pointer :: &
phases
@ -206,7 +197,7 @@ module subroutine mech_init(phases)
elastic, &
stiffDegradation
print'(/,a)', ' <<<+- phase:mechanics init -+>>>'
print'(/,a)', ' <<<+- phase:mechanical init -+>>>'
!-------------------------------------------------------------------------------------------------
! initialize elasticity (hooke) !ToDO: Maybe move to elastic submodule along with function homogenizedC?
@ -215,38 +206,38 @@ module subroutine mech_init(phases)
allocate(phase_NstiffnessDegradations(phases%length),source=0)
allocate(output_constituent(phases%length))
allocate(constitutive_mech_Fe(phases%length))
allocate(constitutive_mech_Fi(phases%length))
allocate(constitutive_mech_Fi0(phases%length))
allocate(constitutive_mech_Fp(phases%length))
allocate(constitutive_mech_Fp0(phases%length))
allocate(constitutive_mech_F(phases%length))
allocate(constitutive_mech_F0(phases%length))
allocate(constitutive_mech_Li(phases%length))
allocate(constitutive_mech_Li0(phases%length))
allocate(constitutive_mech_Lp0(phases%length))
allocate(constitutive_mech_Lp(phases%length))
allocate(constitutive_mech_S(phases%length))
allocate(constitutive_mech_P(phases%length))
allocate(constitutive_mech_S0(phases%length))
allocate(phase_mechanical_Fe(phases%length))
allocate(phase_mechanical_Fi(phases%length))
allocate(phase_mechanical_Fi0(phases%length))
allocate(phase_mechanical_Fp(phases%length))
allocate(phase_mechanical_Fp0(phases%length))
allocate(phase_mechanical_F(phases%length))
allocate(phase_mechanical_F0(phases%length))
allocate(phase_mechanical_Li(phases%length))
allocate(phase_mechanical_Li0(phases%length))
allocate(phase_mechanical_Lp0(phases%length))
allocate(phase_mechanical_Lp(phases%length))
allocate(phase_mechanical_S(phases%length))
allocate(phase_mechanical_P(phases%length))
allocate(phase_mechanical_S0(phases%length))
do ph = 1, phases%length
Nconstituents = count(material_phaseAt == ph) * discretization_nIPs
allocate(constitutive_mech_Fi(ph)%data(3,3,Nconstituents))
allocate(constitutive_mech_Fe(ph)%data(3,3,Nconstituents))
allocate(constitutive_mech_Fi0(ph)%data(3,3,Nconstituents))
allocate(constitutive_mech_Fp(ph)%data(3,3,Nconstituents))
allocate(constitutive_mech_Fp0(ph)%data(3,3,Nconstituents))
allocate(constitutive_mech_Li(ph)%data(3,3,Nconstituents))
allocate(constitutive_mech_Li0(ph)%data(3,3,Nconstituents))
allocate(constitutive_mech_Lp0(ph)%data(3,3,Nconstituents))
allocate(constitutive_mech_Lp(ph)%data(3,3,Nconstituents))
allocate(constitutive_mech_S(ph)%data(3,3,Nconstituents),source=0.0_pReal)
allocate(constitutive_mech_P(ph)%data(3,3,Nconstituents),source=0.0_pReal)
allocate(constitutive_mech_S0(ph)%data(3,3,Nconstituents),source=0.0_pReal)
allocate(constitutive_mech_F(ph)%data(3,3,Nconstituents))
allocate(constitutive_mech_F0(ph)%data(3,3,Nconstituents))
allocate(phase_mechanical_Fi(ph)%data(3,3,Nconstituents))
allocate(phase_mechanical_Fe(ph)%data(3,3,Nconstituents))
allocate(phase_mechanical_Fi0(ph)%data(3,3,Nconstituents))
allocate(phase_mechanical_Fp(ph)%data(3,3,Nconstituents))
allocate(phase_mechanical_Fp0(ph)%data(3,3,Nconstituents))
allocate(phase_mechanical_Li(ph)%data(3,3,Nconstituents))
allocate(phase_mechanical_Li0(ph)%data(3,3,Nconstituents))
allocate(phase_mechanical_Lp0(ph)%data(3,3,Nconstituents))
allocate(phase_mechanical_Lp(ph)%data(3,3,Nconstituents))
allocate(phase_mechanical_S(ph)%data(3,3,Nconstituents),source=0.0_pReal)
allocate(phase_mechanical_P(ph)%data(3,3,Nconstituents),source=0.0_pReal)
allocate(phase_mechanical_S0(ph)%data(3,3,Nconstituents),source=0.0_pReal)
allocate(phase_mechanical_F(ph)%data(3,3,Nconstituents))
allocate(phase_mechanical_F0(ph)%data(3,3,Nconstituents))
phase => phases%get(ph)
mech => phase%get('mechanics')
@ -287,17 +278,17 @@ module subroutine mech_init(phases)
ph = material_phaseAt(co,el)
me = material_phaseMemberAt(co,ip,el)
constitutive_mech_Fp0(ph)%data(1:3,1:3,me) = material_orientation0(co,ip,el)%asMatrix() ! Fp reflects initial orientation (see 10.1016/j.actamat.2006.01.005)
constitutive_mech_Fp0(ph)%data(1:3,1:3,me) = constitutive_mech_Fp0(ph)%data(1:3,1:3,me) &
/ math_det33(constitutive_mech_Fp0(ph)%data(1:3,1:3,me))**(1.0_pReal/3.0_pReal)
constitutive_mech_Fi0(ph)%data(1:3,1:3,me) = math_I3
constitutive_mech_F0(ph)%data(1:3,1:3,me) = math_I3
phase_mechanical_Fp0(ph)%data(1:3,1:3,me) = material_orientation0(co,ip,el)%asMatrix() ! Fp reflects initial orientation (see 10.1016/j.actamat.2006.01.005)
phase_mechanical_Fp0(ph)%data(1:3,1:3,me) = phase_mechanical_Fp0(ph)%data(1:3,1:3,me) &
/ math_det33(phase_mechanical_Fp0(ph)%data(1:3,1:3,me))**(1.0_pReal/3.0_pReal)
phase_mechanical_Fi0(ph)%data(1:3,1:3,me) = math_I3
phase_mechanical_F0(ph)%data(1:3,1:3,me) = math_I3
constitutive_mech_Fe(ph)%data(1:3,1:3,me) = math_inv33(matmul(constitutive_mech_Fi0(ph)%data(1:3,1:3,me), &
constitutive_mech_Fp0(ph)%data(1:3,1:3,me))) ! assuming that euler angles are given in internal strain free configuration
constitutive_mech_Fp(ph)%data(1:3,1:3,me) = constitutive_mech_Fp0(ph)%data(1:3,1:3,me)
constitutive_mech_Fi(ph)%data(1:3,1:3,me) = constitutive_mech_Fi0(ph)%data(1:3,1:3,me)
constitutive_mech_F(ph)%data(1:3,1:3,me) = constitutive_mech_F0(ph)%data(1:3,1:3,me)
phase_mechanical_Fe(ph)%data(1:3,1:3,me) = math_inv33(matmul(phase_mechanical_Fi0(ph)%data(1:3,1:3,me), &
phase_mechanical_Fp0(ph)%data(1:3,1:3,me))) ! assuming that euler angles are given in internal strain free configuration
phase_mechanical_Fp(ph)%data(1:3,1:3,me) = phase_mechanical_Fp0(ph)%data(1:3,1:3,me)
phase_mechanical_Fi(ph)%data(1:3,1:3,me) = phase_mechanical_Fi0(ph)%data(1:3,1:3,me)
phase_mechanical_F(ph)%data(1:3,1:3,me) = phase_mechanical_F0(ph)%data(1:3,1:3,me)
enddo
enddo; enddo
@ -307,14 +298,12 @@ module subroutine mech_init(phases)
! initialize plasticity
allocate(plasticState(phases%length))
allocate(phase_plasticity(phases%length),source = PLASTICITY_undefined_ID)
allocate(phase_plasticityInstance(phases%length),source = 0)
allocate(phase_localPlasticity(phases%length), source=.true.)
call plastic_init()
do ph = 1, phases%length
phase_elasticityInstance(ph) = count(phase_elasticity(1:ph) == phase_elasticity(ph))
phase_plasticityInstance(ph) = count(phase_plasticity(1:ph) == phase_plasticity(ph))
enddo
num_crystallite => config_numerics%get('crystallite',defaultVal=emptyDict)
@ -345,14 +334,14 @@ module subroutine mech_init(phases)
call eigendeformation_init(phases)
end subroutine mech_init
end subroutine mechanical_init
!--------------------------------------------------------------------------------------------------
!> @brief returns the 2nd Piola-Kirchhoff stress tensor and its tangent with respect to
!> the elastic and intermediate deformation gradients using Hooke's law
!--------------------------------------------------------------------------------------------------
subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
subroutine phase_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
Fe, Fi, co, ip, el)
integer, intent(in) :: &
@ -376,12 +365,12 @@ subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
i, j, ph, me
ho = material_homogenizationAt(el)
C = math_66toSym3333(constitutive_homogenizedC(material_phaseAt(co,el),material_phaseMemberAt(co,ip,el)))
C = math_66toSym3333(phase_homogenizedC(material_phaseAt(co,el),material_phaseMemberAt(co,ip,el)))
DegradationLoop: do d = 1, phase_NstiffnessDegradations(material_phaseAt(co,el))
degradationType: select case(phase_stiffnessDegradation(d,material_phaseAt(co,el)))
case (STIFFNESS_DEGRADATION_damage_ID) degradationType
C = C * damage(ho)%p(material_homogenizationMemberAt(ip,el))**2
C = C * phase_damage_get_phi(co,ip,el)**2
end select degradationType
enddo DegradationLoop
@ -393,10 +382,10 @@ subroutine constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
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
enddo; enddo
end subroutine constitutive_hooke_SandItsTangents
end subroutine phase_hooke_SandItsTangents
module subroutine mech_results(group,ph)
module subroutine mechanical_results(group,ph)
character(len=*), intent(in) :: group
integer, intent(in) :: ph
@ -407,28 +396,28 @@ module subroutine mech_results(group,ph)
select case(phase_plasticity(ph))
case(PLASTICITY_ISOTROPIC_ID)
call plastic_isotropic_results(phase_plasticityInstance(ph),group//'plastic/')
call plastic_isotropic_results(ph,group//'plastic/')
case(PLASTICITY_PHENOPOWERLAW_ID)
call plastic_phenopowerlaw_results(phase_plasticityInstance(ph),group//'plastic/')
call plastic_phenopowerlaw_results(ph,group//'plastic/')
case(PLASTICITY_KINEHARDENING_ID)
call plastic_kinehardening_results(phase_plasticityInstance(ph),group//'plastic/')
call plastic_kinehardening_results(ph,group//'plastic/')
case(PLASTICITY_DISLOTWIN_ID)
call plastic_dislotwin_results(phase_plasticityInstance(ph),group//'plastic/')
call plastic_dislotwin_results(ph,group//'plastic/')
case(PLASTICITY_DISLOTUNGSTEN_ID)
call plastic_dislotungsten_results(phase_plasticityInstance(ph),group//'plastic/')
call plastic_dislotungsten_results(ph,group//'plastic/')
case(PLASTICITY_NONLOCAL_ID)
call plastic_nonlocal_results(phase_plasticityInstance(ph),group//'plastic/')
call plastic_nonlocal_results(ph,group//'plastic/')
end select
call crystallite_results(group,ph)
end subroutine mech_results
end subroutine mechanical_results
!--------------------------------------------------------------------------------------------------
@ -503,8 +492,8 @@ function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken)
call plastic_dependentState(co,ip,el)
Lpguess = constitutive_mech_Lp(ph)%data(1:3,1:3,me) ! take as first guess
Liguess = constitutive_mech_Li(ph)%data(1:3,1:3,me) ! take as first guess
Lpguess = phase_mechanical_Lp(ph)%data(1:3,1:3,me) ! take as first guess
Liguess = phase_mechanical_Li(ph)%data(1:3,1:3,me) ! take as first guess
call math_invert33(invFp_current,devNull,error,subFp0)
if (error) return ! error
@ -538,11 +527,11 @@ function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken)
B = math_I3 - Delta_t*Lpguess
Fe = matmul(matmul(A,B), invFi_new)
call constitutive_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
call phase_hooke_SandItsTangents(S, dS_dFe, dS_dFi, &
Fe, Fi_new, co, ip, el)
call plastic_LpAndItsTangents(Lp_constitutive, dLp_dS, dLp_dFi, &
S, Fi_new, co, ip, el)
S, Fi_new, ph,me)
!* update current residuum and check for convergence of loop
atol_Lp = max(num%rtol_crystalliteStress * max(norm2(Lpguess),norm2(Lp_constitutive)), & ! absolute tolerance from largest acceptable relative error
@ -582,8 +571,8 @@ function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken)
+ deltaLp * steplengthLp
enddo LpLoop
call constitutive_LiAndItsTangents(Li_constitutive, dLi_dS, dLi_dFi, &
S, Fi_new, co, ip, el)
call phase_LiAndItsTangents(Li_constitutive, dLi_dS, dLi_dFi, &
S, Fi_new, ph,me)
!* update current residuum and check for convergence of loop
atol_Li = max(num%rtol_crystalliteStress * max(norm2(Liguess),norm2(Li_constitutive)), & ! absolute tolerance from largest acceptable relative error
@ -633,13 +622,13 @@ function integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el) result(broken)
call math_invert33(Fp_new,devNull,error,invFp_new)
if (error) return ! error
constitutive_mech_P(ph)%data(1:3,1:3,me) = matmul(matmul(F,invFp_new),matmul(S,transpose(invFp_new)))
constitutive_mech_S(ph)%data(1:3,1:3,me) = S
constitutive_mech_Lp(ph)%data(1:3,1:3,me) = Lpguess
constitutive_mech_Li(ph)%data(1:3,1:3,me) = Liguess
constitutive_mech_Fp(ph)%data(1:3,1:3,me) = Fp_new / math_det33(Fp_new)**(1.0_pReal/3.0_pReal) ! regularize
constitutive_mech_Fi(ph)%data(1:3,1:3,me) = Fi_new
constitutive_mech_Fe(ph)%data(1:3,1:3,me) = matmul(matmul(F,invFp_new),invFi_new)
phase_mechanical_P(ph)%data(1:3,1:3,me) = matmul(matmul(F,invFp_new),matmul(S,transpose(invFp_new)))
phase_mechanical_S(ph)%data(1:3,1:3,me) = S
phase_mechanical_Lp(ph)%data(1:3,1:3,me) = Lpguess
phase_mechanical_Li(ph)%data(1:3,1:3,me) = Liguess
phase_mechanical_Fp(ph)%data(1:3,1:3,me) = Fp_new / math_det33(Fp_new)**(1.0_pReal/3.0_pReal) ! regularize
phase_mechanical_Fi(ph)%data(1:3,1:3,me) = Fi_new
phase_mechanical_Fe(ph)%data(1:3,1:3,me) = matmul(matmul(F,invFp_new),invFi_new)
broken = .false.
end function integrateStress
@ -668,9 +657,9 @@ function integrateStateFPI(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) resul
sizeDotState
real(pReal) :: &
zeta
real(pReal), dimension(constitutive_plasticity_maxSizeDotState) :: &
real(pReal), dimension(phase_plasticity_maxSizeDotState) :: &
r ! state residuum
real(pReal), dimension(constitutive_plasticity_maxSizeDotState,2) :: &
real(pReal), dimension(phase_plasticity_maxSizeDotState,2) :: &
dotState
@ -706,7 +695,7 @@ function integrateStateFPI(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) resul
plasticState(ph)%state(1:sizeDotState,me) = plasticState(ph)%state(1:sizeDotState,me) &
- r(1:sizeDotState)
if (converged(r(1:sizeDotState),plasticState(ph)%state(1:sizeDotState,me),plasticState(ph)%atol(1:sizeDotState))) then
broken = plastic_deltaState(co,ip,el,ph,me)
broken = plastic_deltaState(ph,me)
exit iteration
endif
@ -769,7 +758,7 @@ function integrateStateEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el) res
plasticState(ph)%state(1:sizeDotState,me) = subState0 &
+ plasticState(ph)%dotState(1:sizeDotState,me) * Delta_t
broken = plastic_deltaState(co,ip,el,ph,me)
broken = plastic_deltaState(ph,me)
if(broken) return
broken = integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el)
@ -796,7 +785,7 @@ function integrateStateAdaptiveEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip
ph, &
me, &
sizeDotState
real(pReal), dimension(constitutive_plasticity_maxSizeDotState) :: residuum_plastic
real(pReal), dimension(phase_plasticity_maxSizeDotState) :: residuum_plastic
ph = material_phaseAt(co,el)
@ -811,7 +800,7 @@ function integrateStateAdaptiveEuler(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip
plasticState(ph)%state(1:sizeDotState,me) = subState0 &
+ plasticState(ph)%dotstate(1:sizeDotState,me) * Delta_t
broken = plastic_deltaState(co,ip,el,ph,me)
broken = plastic_deltaState(ph,me)
if(broken) return
broken = integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el)
@ -914,7 +903,7 @@ function integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el,A,B,C,D
ph, &
me, &
sizeDotState
real(pReal), dimension(constitutive_plasticity_maxSizeDotState,size(B)) :: plastic_RKdotState
real(pReal), dimension(phase_plasticity_maxSizeDotState,size(B)) :: plastic_RKdotState
ph = material_phaseAt(co,el)
@ -960,7 +949,7 @@ function integrateStateRK(F_0,F,subFp0,subFi0,subState0,Delta_t,co,ip,el,A,B,C,D
if(broken) return
broken = plastic_deltaState(co,ip,el,ph,me)
broken = plastic_deltaState(ph,me)
if(broken) return
broken = integrateStress(F,subFp0,subFi0,Delta_t,co,ip,el)
@ -987,28 +976,28 @@ subroutine crystallite_results(group,ph)
select case (output_constituent(ph)%label(ou))
case('F')
call results_writeDataset(group//'/mechanics/',constitutive_mech_F(ph)%data,'F',&
call results_writeDataset(group//'/mechanics/',phase_mechanical_F(ph)%data,'F',&
'deformation gradient','1')
case('F_e')
call results_writeDataset(group//'/mechanics/',constitutive_mech_Fe(ph)%data,'F_e',&
call results_writeDataset(group//'/mechanics/',phase_mechanical_Fe(ph)%data,'F_e',&
'elastic deformation gradient','1')
case('F_p')
call results_writeDataset(group//'/mechanics/',constitutive_mech_Fp(ph)%data,'F_p', &
call results_writeDataset(group//'/mechanics/',phase_mechanical_Fp(ph)%data,'F_p', &
'plastic deformation gradient','1')
case('F_i')
call results_writeDataset(group//'/mechanics/',constitutive_mech_Fi(ph)%data,'F_i', &
call results_writeDataset(group//'/mechanics/',phase_mechanical_Fi(ph)%data,'F_i', &
'inelastic deformation gradient','1')
case('L_p')
call results_writeDataset(group//'/mechanics/',constitutive_mech_Lp(ph)%data,'L_p', &
call results_writeDataset(group//'/mechanics/',phase_mechanical_Lp(ph)%data,'L_p', &
'plastic velocity gradient','1/s')
case('L_i')
call results_writeDataset(group//'/mechanics/',constitutive_mech_Li(ph)%data,'L_i', &
call results_writeDataset(group//'/mechanics/',phase_mechanical_Li(ph)%data,'L_i', &
'inelastic velocity gradient','1/s')
case('P')
call results_writeDataset(group//'/mechanics/',constitutive_mech_P(ph)%data,'P', &
call results_writeDataset(group//'/mechanics/',phase_mechanical_P(ph)%data,'P', &
'First Piola-Kirchhoff stress','Pa')
case('S')
call results_writeDataset(group//'/mechanics/',constitutive_mech_S(ph)%data,'S', &
call results_writeDataset(group//'/mechanics/',phase_mechanical_S(ph)%data,'S', &
'Second Piola-Kirchhoff stress','Pa')
case('O')
select case(lattice_structure(ph))
@ -1067,43 +1056,43 @@ end subroutine crystallite_results
!--------------------------------------------------------------------------------------------------
!> @brief Wind homog inc forward.
!--------------------------------------------------------------------------------------------------
module subroutine mech_windForward(ph,me)
module subroutine mechanical_windForward(ph,me)
integer, intent(in) :: ph, me
constitutive_mech_Fp0(ph)%data(1:3,1:3,me) = constitutive_mech_Fp(ph)%data(1:3,1:3,me)
constitutive_mech_Fi0(ph)%data(1:3,1:3,me) = constitutive_mech_Fi(ph)%data(1:3,1:3,me)
constitutive_mech_F0(ph)%data(1:3,1:3,me) = constitutive_mech_F(ph)%data(1:3,1:3,me)
constitutive_mech_Li0(ph)%data(1:3,1:3,me) = constitutive_mech_Li(ph)%data(1:3,1:3,me)
constitutive_mech_Lp0(ph)%data(1:3,1:3,me) = constitutive_mech_Lp(ph)%data(1:3,1:3,me)
constitutive_mech_S0(ph)%data(1:3,1:3,me) = constitutive_mech_S(ph)%data(1:3,1:3,me)
phase_mechanical_Fp0(ph)%data(1:3,1:3,me) = phase_mechanical_Fp(ph)%data(1:3,1:3,me)
phase_mechanical_Fi0(ph)%data(1:3,1:3,me) = phase_mechanical_Fi(ph)%data(1:3,1:3,me)
phase_mechanical_F0(ph)%data(1:3,1:3,me) = phase_mechanical_F(ph)%data(1:3,1:3,me)
phase_mechanical_Li0(ph)%data(1:3,1:3,me) = phase_mechanical_Li(ph)%data(1:3,1:3,me)
phase_mechanical_Lp0(ph)%data(1:3,1:3,me) = phase_mechanical_Lp(ph)%data(1:3,1:3,me)
phase_mechanical_S0(ph)%data(1:3,1:3,me) = phase_mechanical_S(ph)%data(1:3,1:3,me)
plasticState(ph)%State0(:,me) = plasticState(ph)%state(:,me)
end subroutine mech_windForward
end subroutine mechanical_windForward
!--------------------------------------------------------------------------------------------------
!> @brief Forward data after successful increment.
! ToDo: Any guessing for the current states possible?
!--------------------------------------------------------------------------------------------------
module subroutine mech_forward()
module subroutine mechanical_forward()
integer :: ph
do ph = 1, size(plasticState)
constitutive_mech_Fi0(ph) = constitutive_mech_Fi(ph)
constitutive_mech_Fp0(ph) = constitutive_mech_Fp(ph)
constitutive_mech_F0(ph) = constitutive_mech_F(ph)
constitutive_mech_Li0(ph) = constitutive_mech_Li(ph)
constitutive_mech_Lp0(ph) = constitutive_mech_Lp(ph)
constitutive_mech_S0(ph) = constitutive_mech_S(ph)
phase_mechanical_Fi0(ph) = phase_mechanical_Fi(ph)
phase_mechanical_Fp0(ph) = phase_mechanical_Fp(ph)
phase_mechanical_F0(ph) = phase_mechanical_F(ph)
phase_mechanical_Li0(ph) = phase_mechanical_Li(ph)
phase_mechanical_Lp0(ph) = phase_mechanical_Lp(ph)
phase_mechanical_S0(ph) = phase_mechanical_S(ph)
plasticState(ph)%state0 = plasticState(ph)%state
enddo
end subroutine mech_forward
end subroutine mechanical_forward
@ -1111,19 +1100,19 @@ end subroutine mech_forward
!> @brief returns the homogenize elasticity matrix
!> ToDo: homogenizedC66 would be more consistent
!--------------------------------------------------------------------------------------------------
module function constitutive_homogenizedC(ph,me) result(C)
module function phase_homogenizedC(ph,me) result(C)
real(pReal), dimension(6,6) :: C
integer, intent(in) :: ph, me
plasticityType: select case (phase_plasticity(ph))
case (PLASTICITY_DISLOTWIN_ID) plasticityType
plasticType: select case (phase_plasticity(ph))
case (PLASTICITY_DISLOTWIN_ID) plasticType
C = plastic_dislotwin_homogenizedC(ph,me)
case default plasticityType
case default plasticType
C = lattice_C66(1:6,1:6,ph)
end select plasticityType
end select plasticType
end function constitutive_homogenizedC
end function phase_homogenizedC
!--------------------------------------------------------------------------------------------------
@ -1141,7 +1130,7 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
real(pReal) :: &
formerSubStep
integer :: &
so, ph, me, sizeDotState
ph, me, sizeDotState
logical :: todo
real(pReal) :: subFrac,subStep
real(pReal), dimension(3,3) :: &
@ -1158,17 +1147,16 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
me = material_phaseMemberAt(co,ip,el)
sizeDotState = plasticState(ph)%sizeDotState
subLi0 = constitutive_mech_Li0(ph)%data(1:3,1:3,me)
subLp0 = constitutive_mech_Lp0(ph)%data(1:3,1:3,me)
subLi0 = phase_mechanical_Li0(ph)%data(1:3,1:3,me)
subLp0 = phase_mechanical_Lp0(ph)%data(1:3,1:3,me)
subState0 = plasticState(ph)%State0(:,me)
if (damageState(ph)%sizeState > 0) &
damageState(ph)%subState0(:,me) = damageState(ph)%state0(:,me)
do so = 1, phase_Nsources(ph)
damageState(ph)%p(so)%subState0(:,me) = damageState(ph)%p(so)%state0(:,me)
enddo
subFp0 = constitutive_mech_Fp0(ph)%data(1:3,1:3,me)
subFi0 = constitutive_mech_Fi0(ph)%data(1:3,1:3,me)
subF0 = constitutive_mech_F0(ph)%data(1:3,1:3,me)
subFp0 = phase_mechanical_Fp0(ph)%data(1:3,1:3,me)
subFi0 = phase_mechanical_Fi0(ph)%data(1:3,1:3,me)
subF0 = phase_mechanical_F0(ph)%data(1:3,1:3,me)
subFrac = 0.0_pReal
subStep = 1.0_pReal/num%subStepSizeCryst
todo = .true.
@ -1186,30 +1174,29 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
if (todo) then
subF0 = subF
subLp0 = constitutive_mech_Lp(ph)%data(1:3,1:3,me)
subLi0 = constitutive_mech_Li(ph)%data(1:3,1:3,me)
subFp0 = constitutive_mech_Fp(ph)%data(1:3,1:3,me)
subFi0 = constitutive_mech_Fi(ph)%data(1:3,1:3,me)
subLp0 = phase_mechanical_Lp(ph)%data(1:3,1:3,me)
subLi0 = phase_mechanical_Li(ph)%data(1:3,1:3,me)
subFp0 = phase_mechanical_Fp(ph)%data(1:3,1:3,me)
subFi0 = phase_mechanical_Fi(ph)%data(1:3,1:3,me)
subState0 = plasticState(ph)%state(:,me)
do so = 1, phase_Nsources(ph)
damageState(ph)%p(so)%subState0(:,me) = damageState(ph)%p(so)%state(:,me)
enddo
if (damageState(ph)%sizeState > 0) &
damageState(ph)%subState0(:,me) = damageState(ph)%state(:,me)
endif
!--------------------------------------------------------------------------------------------------
! cut back (reduced time and restore)
else
subStep = num%subStepSizeCryst * subStep
constitutive_mech_Fp(ph)%data(1:3,1:3,me) = subFp0
constitutive_mech_Fi(ph)%data(1:3,1:3,me) = subFi0
constitutive_mech_S(ph)%data(1:3,1:3,me) = constitutive_mech_S0(ph)%data(1:3,1:3,me) ! why no subS0 ? is S0 of any use?
phase_mechanical_Fp(ph)%data(1:3,1:3,me) = subFp0
phase_mechanical_Fi(ph)%data(1:3,1:3,me) = subFi0
phase_mechanical_S(ph)%data(1:3,1:3,me) = phase_mechanical_S0(ph)%data(1:3,1:3,me) ! why no subS0 ? is S0 of any use?
if (subStep < 1.0_pReal) then ! actual (not initial) cutback
constitutive_mech_Lp(ph)%data(1:3,1:3,me) = subLp0
constitutive_mech_Li(ph)%data(1:3,1:3,me) = subLi0
phase_mechanical_Lp(ph)%data(1:3,1:3,me) = subLp0
phase_mechanical_Li(ph)%data(1:3,1:3,me) = subLi0
endif
plasticState(ph)%state(:,me) = subState0
do so = 1, phase_Nsources(ph)
damageState(ph)%p(so)%state(:,me) = damageState(ph)%p(so)%subState0(:,me)
enddo
if (damageState(ph)%sizeState > 0) &
damageState(ph)%state(:,me) = damageState(ph)%subState0(:,me)
todo = subStep > num%subStepMinCryst ! still on track or already done (beyond repair)
endif
@ -1218,9 +1205,9 @@ module function crystallite_stress(dt,co,ip,el) result(converged_)
! prepare for integration
if (todo) then
subF = subF0 &
+ subStep * (constitutive_mech_F(ph)%data(1:3,1:3,me) - constitutive_mech_F0(ph)%data(1:3,1:3,me))
constitutive_mech_Fe(ph)%data(1:3,1:3,me) = matmul(subF,math_inv33(matmul(constitutive_mech_Fi(ph)%data(1:3,1:3,me), &
constitutive_mech_Fp(ph)%data(1:3,1:3,me))))
+ subStep * (phase_mechanical_F(ph)%data(1:3,1:3,me) - phase_mechanical_F0(ph)%data(1:3,1:3,me))
phase_mechanical_Fe(ph)%data(1:3,1:3,me) = matmul(subF,math_inv33(matmul(phase_mechanical_Fi(ph)%data(1:3,1:3,me), &
phase_mechanical_Fp(ph)%data(1:3,1:3,me))))
converged_ = .not. integrateState(subF0,subF,subFp0,subFi0,subState0(1:sizeDotState),subStep * dt,co,ip,el)
converged_ = converged_ .and. .not. integrateDamageState(subStep * dt,co,ip,el)
endif
@ -1233,7 +1220,7 @@ end function crystallite_stress
!--------------------------------------------------------------------------------------------------
!> @brief Restore data after homog cutback.
!--------------------------------------------------------------------------------------------------
module subroutine mech_restore(ce,includeL)
module subroutine mechanical_restore(ce,includeL)
integer, intent(in) :: ce
logical, intent(in) :: &
@ -1247,23 +1234,23 @@ module subroutine mech_restore(ce,includeL)
ph = material_phaseAt2(co,ce)
me = material_phaseMemberAt2(co,ce)
if (includeL) then
constitutive_mech_Lp(ph)%data(1:3,1:3,me) = constitutive_mech_Lp0(ph)%data(1:3,1:3,me)
constitutive_mech_Li(ph)%data(1:3,1:3,me) = constitutive_mech_Li0(ph)%data(1:3,1:3,me)
phase_mechanical_Lp(ph)%data(1:3,1:3,me) = phase_mechanical_Lp0(ph)%data(1:3,1:3,me)
phase_mechanical_Li(ph)%data(1:3,1:3,me) = phase_mechanical_Li0(ph)%data(1:3,1:3,me)
endif ! maybe protecting everything from overwriting makes more sense
constitutive_mech_Fp(ph)%data(1:3,1:3,me) = constitutive_mech_Fp0(ph)%data(1:3,1:3,me)
constitutive_mech_Fi(ph)%data(1:3,1:3,me) = constitutive_mech_Fi0(ph)%data(1:3,1:3,me)
constitutive_mech_S(ph)%data(1:3,1:3,me) = constitutive_mech_S0(ph)%data(1:3,1:3,me)
phase_mechanical_Fp(ph)%data(1:3,1:3,me) = phase_mechanical_Fp0(ph)%data(1:3,1:3,me)
phase_mechanical_Fi(ph)%data(1:3,1:3,me) = phase_mechanical_Fi0(ph)%data(1:3,1:3,me)
phase_mechanical_S(ph)%data(1:3,1:3,me) = phase_mechanical_S0(ph)%data(1:3,1:3,me)
plasticState(ph)%state(:,me) = plasticState(ph)%State0(:,me)
enddo
end subroutine mech_restore
end subroutine mechanical_restore
!--------------------------------------------------------------------------------------------------
!> @brief Calculate tangent (dPdF).
!--------------------------------------------------------------------------------------------------
module function constitutive_mech_dPdF(dt,co,ip,el) result(dPdF)
module function phase_mechanical_dPdF(dt,co,ip,el) result(dPdF)
real(pReal), intent(in) :: dt
integer, intent(in) :: &
@ -1297,18 +1284,18 @@ module function constitutive_mech_dPdF(dt,co,ip,el) result(dPdF)
ph = material_phaseAt(co,el)
me = material_phaseMemberAt(co,ip,el)
call constitutive_hooke_SandItsTangents(devNull,dSdFe,dSdFi, &
constitutive_mech_Fe(ph)%data(1:3,1:3,me), &
constitutive_mech_Fi(ph)%data(1:3,1:3,me),co,ip,el)
call constitutive_LiAndItsTangents(devNull,dLidS,dLidFi, &
constitutive_mech_S(ph)%data(1:3,1:3,me), &
constitutive_mech_Fi(ph)%data(1:3,1:3,me), &
co,ip,el)
call phase_hooke_SandItsTangents(devNull,dSdFe,dSdFi, &
phase_mechanical_Fe(ph)%data(1:3,1:3,me), &
phase_mechanical_Fi(ph)%data(1:3,1:3,me),co,ip,el)
call phase_LiAndItsTangents(devNull,dLidS,dLidFi, &
phase_mechanical_S(ph)%data(1:3,1:3,me), &
phase_mechanical_Fi(ph)%data(1:3,1:3,me), &
ph,me)
invFp = math_inv33(constitutive_mech_Fp(ph)%data(1:3,1:3,me))
invFi = math_inv33(constitutive_mech_Fi(ph)%data(1:3,1:3,me))
invSubFp0 = math_inv33(constitutive_mech_Fp0(ph)%data(1:3,1:3,me))
invSubFi0 = math_inv33(constitutive_mech_Fi0(ph)%data(1:3,1:3,me))
invFp = math_inv33(phase_mechanical_Fp(ph)%data(1:3,1:3,me))
invFi = math_inv33(phase_mechanical_Fi(ph)%data(1:3,1:3,me))
invSubFp0 = math_inv33(phase_mechanical_Fp0(ph)%data(1:3,1:3,me))
invSubFi0 = math_inv33(phase_mechanical_Fi0(ph)%data(1:3,1:3,me))
if (sum(abs(dLidS)) < tol_math_check) then
dFidS = 0.0_pReal
@ -1334,15 +1321,15 @@ module function constitutive_mech_dPdF(dt,co,ip,el) result(dPdF)
endif
call plastic_LpAndItsTangents(devNull,dLpdS,dLpdFi, &
constitutive_mech_S(ph)%data(1:3,1:3,me), &
constitutive_mech_Fi(ph)%data(1:3,1:3,me),co,ip,el)
phase_mechanical_S(ph)%data(1:3,1:3,me), &
phase_mechanical_Fi(ph)%data(1:3,1:3,me),ph,me)
dLpdS = math_mul3333xx3333(dLpdFi,dFidS) + dLpdS
!--------------------------------------------------------------------------------------------------
! calculate dSdF
temp_33_1 = transpose(matmul(invFp,invFi))
temp_33_2 = matmul(constitutive_mech_F(ph)%data(1:3,1:3,me),invSubFp0)
temp_33_3 = matmul(matmul(constitutive_mech_F(ph)%data(1:3,1:3,me),invFp), invSubFi0)
temp_33_2 = matmul(phase_mechanical_F(ph)%data(1:3,1:3,me),invSubFp0)
temp_33_3 = matmul(matmul(phase_mechanical_F(ph)%data(1:3,1:3,me),invFp), invSubFi0)
do o=1,3; do p=1,3
rhs_3333(p,o,1:3,1:3) = matmul(dSdFe(p,o,1:3,1:3),temp_33_1)
@ -1370,9 +1357,9 @@ module function constitutive_mech_dPdF(dt,co,ip,el) result(dPdF)
!--------------------------------------------------------------------------------------------------
! assemble dPdF
temp_33_1 = matmul(constitutive_mech_S(ph)%data(1:3,1:3,me),transpose(invFp))
temp_33_2 = matmul(constitutive_mech_F(ph)%data(1:3,1:3,me),invFp)
temp_33_3 = matmul(temp_33_2,constitutive_mech_S(ph)%data(1:3,1:3,me))
temp_33_1 = matmul(phase_mechanical_S(ph)%data(1:3,1:3,me),transpose(invFp))
temp_33_2 = matmul(phase_mechanical_F(ph)%data(1:3,1:3,me),invFp)
temp_33_3 = matmul(temp_33_2,phase_mechanical_S(ph)%data(1:3,1:3,me))
dPdF = 0.0_pReal
do p=1,3
@ -1380,129 +1367,129 @@ module function constitutive_mech_dPdF(dt,co,ip,el) result(dPdF)
enddo
do o=1,3; do p=1,3
dPdF(1:3,1:3,p,o) = dPdF(1:3,1:3,p,o) &
+ matmul(matmul(constitutive_mech_F(ph)%data(1:3,1:3,me),dFpinvdF(1:3,1:3,p,o)),temp_33_1) &
+ matmul(matmul(phase_mechanical_F(ph)%data(1:3,1:3,me),dFpinvdF(1:3,1:3,p,o)),temp_33_1) &
+ matmul(matmul(temp_33_2,dSdF(1:3,1:3,p,o)),transpose(invFp)) &
+ matmul(temp_33_3,transpose(dFpinvdF(1:3,1:3,p,o)))
enddo; enddo
end function constitutive_mech_dPdF
end function phase_mechanical_dPdF
module subroutine mech_restartWrite(groupHandle,ph)
module subroutine mechanical_restartWrite(groupHandle,ph)
integer(HID_T), intent(in) :: groupHandle
integer, intent(in) :: ph
call HDF5_write(groupHandle,plasticState(ph)%state,'omega')
call HDF5_write(groupHandle,constitutive_mech_Fi(ph)%data,'F_i')
call HDF5_write(groupHandle,constitutive_mech_Li(ph)%data,'L_i')
call HDF5_write(groupHandle,constitutive_mech_Lp(ph)%data,'L_p')
call HDF5_write(groupHandle,constitutive_mech_Fp(ph)%data,'F_p')
call HDF5_write(groupHandle,constitutive_mech_S(ph)%data,'S')
call HDF5_write(groupHandle,constitutive_mech_F(ph)%data,'F')
call HDF5_write(groupHandle,phase_mechanical_Fi(ph)%data,'F_i')
call HDF5_write(groupHandle,phase_mechanical_Li(ph)%data,'L_i')
call HDF5_write(groupHandle,phase_mechanical_Lp(ph)%data,'L_p')
call HDF5_write(groupHandle,phase_mechanical_Fp(ph)%data,'F_p')
call HDF5_write(groupHandle,phase_mechanical_S(ph)%data,'S')
call HDF5_write(groupHandle,phase_mechanical_F(ph)%data,'F')
end subroutine mech_restartWrite
end subroutine mechanical_restartWrite
module subroutine mech_restartRead(groupHandle,ph)
module subroutine mechanical_restartRead(groupHandle,ph)
integer(HID_T), intent(in) :: groupHandle
integer, intent(in) :: ph
call HDF5_read(groupHandle,plasticState(ph)%state0,'omega')
call HDF5_read(groupHandle,constitutive_mech_Fi0(ph)%data,'F_i')
call HDF5_read(groupHandle,constitutive_mech_Li0(ph)%data,'L_i')
call HDF5_read(groupHandle,constitutive_mech_Lp0(ph)%data,'L_p')
call HDF5_read(groupHandle,constitutive_mech_Fp0(ph)%data,'F_p')
call HDF5_read(groupHandle,constitutive_mech_S0(ph)%data,'S')
call HDF5_read(groupHandle,constitutive_mech_F0(ph)%data,'F')
call HDF5_read(groupHandle,phase_mechanical_Fi0(ph)%data,'F_i')
call HDF5_read(groupHandle,phase_mechanical_Li0(ph)%data,'L_i')
call HDF5_read(groupHandle,phase_mechanical_Lp0(ph)%data,'L_p')
call HDF5_read(groupHandle,phase_mechanical_Fp0(ph)%data,'F_p')
call HDF5_read(groupHandle,phase_mechanical_S0(ph)%data,'S')
call HDF5_read(groupHandle,phase_mechanical_F0(ph)%data,'F')
end subroutine mech_restartRead
end subroutine mechanical_restartRead
!----------------------------------------------------------------------------------------------
!< @brief Get first Piola-Kichhoff stress (for use by non-mech physics)
!----------------------------------------------------------------------------------------------
module function mech_S(ph,me) result(S)
module function mechanical_S(ph,me) result(S)
integer, intent(in) :: ph,me
real(pReal), dimension(3,3) :: S
S = constitutive_mech_S(ph)%data(1:3,1:3,me)
S = phase_mechanical_S(ph)%data(1:3,1:3,me)
end function mech_S
end function mechanical_S
!----------------------------------------------------------------------------------------------
!< @brief Get plastic velocity gradient (for use by non-mech physics)
!----------------------------------------------------------------------------------------------
module function mech_L_p(ph,me) result(L_p)
module function mechanical_L_p(ph,me) result(L_p)
integer, intent(in) :: ph,me
real(pReal), dimension(3,3) :: L_p
L_p = constitutive_mech_Lp(ph)%data(1:3,1:3,me)
L_p = phase_mechanical_Lp(ph)%data(1:3,1:3,me)
end function mech_L_p
end function mechanical_L_p
!----------------------------------------------------------------------------------------------
!< @brief Get deformation gradient (for use by homogenization)
!----------------------------------------------------------------------------------------------
module function constitutive_mech_getF(co,ip,el) result(F)
module function phase_mechanical_getF(co,ip,el) result(F)
integer, intent(in) :: co, ip, el
real(pReal), dimension(3,3) :: F
F = constitutive_mech_F(material_phaseAt(co,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el))
F = phase_mechanical_F(material_phaseAt(co,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el))
end function constitutive_mech_getF
end function phase_mechanical_getF
!----------------------------------------------------------------------------------------------
!< @brief Get elastic deformation gradient (for use by non-mech physics)
!----------------------------------------------------------------------------------------------
module function mech_F_e(ph,me) result(F_e)
module function mechanical_F_e(ph,me) result(F_e)
integer, intent(in) :: ph,me
real(pReal), dimension(3,3) :: F_e
F_e = constitutive_mech_Fe(ph)%data(1:3,1:3,me)
F_e = phase_mechanical_Fe(ph)%data(1:3,1:3,me)
end function mech_F_e
end function mechanical_F_e
!----------------------------------------------------------------------------------------------
!< @brief Get second Piola-Kichhoff stress (for use by homogenization)
!----------------------------------------------------------------------------------------------
module function constitutive_mech_getP(co,ip,el) result(P)
module function phase_mechanical_getP(co,ip,el) result(P)
integer, intent(in) :: co, ip, el
real(pReal), dimension(3,3) :: P
P = constitutive_mech_P(material_phaseAt(co,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el))
P = phase_mechanical_P(material_phaseAt(co,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el))
end function constitutive_mech_getP
end function phase_mechanical_getP
! setter for homogenization
module subroutine constitutive_mech_setF(F,co,ip,el)
module subroutine phase_mechanical_setF(F,co,ip,el)
real(pReal), dimension(3,3), intent(in) :: F
integer, intent(in) :: co, ip, el
constitutive_mech_F(material_phaseAt(co,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el)) = F
phase_mechanical_F(material_phaseAt(co,el))%data(1:3,1:3,material_phaseMemberAt(co,ip,el)) = F
end subroutine constitutive_mech_setF
end subroutine phase_mechanical_setF
end submodule mechanics
end submodule mechanical

228
src/phase_mechanical_eigen.f90 Normal file
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@ -0,0 +1,228 @@
submodule(phase:mechanical) eigen
integer, dimension(:), allocatable :: &
Nmodels
integer(kind(KINEMATICS_UNDEFINED_ID)), dimension(:,:), allocatable :: &
model
integer(kind(KINEMATICS_UNDEFINED_ID)), dimension(:), allocatable :: &
model_damage
interface
module function kinematics_cleavage_opening_init() result(myKinematics)
logical, dimension(:), allocatable :: myKinematics
end function kinematics_cleavage_opening_init
module function kinematics_slipplane_opening_init() result(myKinematics)
logical, dimension(:), allocatable :: myKinematics
end function kinematics_slipplane_opening_init
module function thermalexpansion_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
end function thermalexpansion_init
module subroutine thermalexpansion_LiAndItsTangent(Li, dLi_dTstar, ph,me)
integer, intent(in) :: ph, me
real(pReal), intent(out), dimension(3,3) :: &
Li !< thermal velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLi_dTstar !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
end subroutine thermalexpansion_LiAndItsTangent
end interface
contains
module subroutine eigendeformation_init(phases)
class(tNode), pointer :: &
phases
integer :: &
ph
class(tNode), pointer :: &
phase, &
kinematics, &
damage, &
mechanics
print'(/,a)', ' <<<+- phase:mechanical:eigen init -+>>>'
!--------------------------------------------------------------------------------------------------
! explicit eigen mechanisms
allocate(Nmodels(phases%length),source = 0)
do ph = 1,phases%length
phase => phases%get(ph)
mechanics => phase%get('mechanics')
kinematics => mechanics%get('eigen',defaultVal=emptyList)
Nmodels(ph) = kinematics%length
enddo
allocate(model(maxval(Nmodels),phases%length), source = KINEMATICS_undefined_ID)
if(maxval(Nmodels) /= 0) then
where(thermalexpansion_init(maxval(Nmodels))) model = KINEMATICS_thermal_expansion_ID
endif
allocate(model_damage(phases%length), source = KINEMATICS_UNDEFINED_ID)
where(kinematics_cleavage_opening_init()) model_damage = KINEMATICS_cleavage_opening_ID
where(kinematics_slipplane_opening_init()) model_damage = KINEMATICS_slipplane_opening_ID
end subroutine eigendeformation_init
!--------------------------------------------------------------------------------------------------
!> @brief checks if a kinematic mechanism is active or not
!--------------------------------------------------------------------------------------------------
function kinematics_active(kinematics_label,kinematics_length) result(active_kinematics)
character(len=*), intent(in) :: kinematics_label !< name of kinematic mechanism
integer, intent(in) :: kinematics_length !< max. number of kinematics in system
logical, dimension(:,:), allocatable :: active_kinematics
class(tNode), pointer :: &
phases, &
phase, &
kinematics, &
kinematics_type, &
mechanics
integer :: p,k
phases => config_material%get('phase')
allocate(active_kinematics(kinematics_length,phases%length), source = .false. )
do p = 1, phases%length
phase => phases%get(p)
mechanics => phase%get('mechanics')
kinematics => mechanics%get('eigen',defaultVal=emptyList)
do k = 1, kinematics%length
kinematics_type => kinematics%get(k)
active_kinematics(k,p) = kinematics_type%get_asString('type') == kinematics_label
enddo
enddo
end function kinematics_active
!--------------------------------------------------------------------------------------------------
!> @brief checks if a kinematic mechanism is active or not
!--------------------------------------------------------------------------------------------------
function kinematics_active2(kinematics_label) result(active_kinematics)
character(len=*), intent(in) :: kinematics_label !< name of kinematic mechanism
logical, dimension(:), allocatable :: active_kinematics
class(tNode), pointer :: &
phases, &
phase, &
kinematics, &
kinematics_type
integer :: p
phases => config_material%get('phase')
allocate(active_kinematics(phases%length), source = .false. )
do p = 1, phases%length
phase => phases%get(p)
kinematics => phase%get('damage',defaultVal=emptyList)
if(kinematics%length < 1) return
kinematics_type => kinematics%get(1)
if (.not. kinematics_type%contains('type')) continue
active_kinematics(p) = kinematics_type%get_asString('type',defaultVal='n/a') == kinematics_label
enddo
end function kinematics_active2
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
! ToDo: MD: S is Mi?
!--------------------------------------------------------------------------------------------------
module subroutine phase_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
S, Fi, ph,me)
integer, intent(in) :: &
ph,me
real(pReal), intent(in), dimension(3,3) :: &
S !< 2nd Piola-Kirchhoff stress
real(pReal), intent(in), dimension(3,3) :: &
Fi !< intermediate deformation gradient
real(pReal), intent(out), dimension(3,3) :: &
Li !< intermediate velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLi_dS, & !< derivative of Li with respect to S
dLi_dFi
real(pReal), dimension(3,3) :: &
my_Li, & !< intermediate velocity gradient
FiInv, &
temp_33
real(pReal), dimension(3,3,3,3) :: &
my_dLi_dS
real(pReal) :: &
detFi
integer :: &
k, i, j
logical :: active
active = .false.
Li = 0.0_pReal
dLi_dS = 0.0_pReal
dLi_dFi = 0.0_pReal
plasticType: select case (phase_plasticity(ph))
case (PLASTICITY_isotropic_ID) plasticType
call plastic_isotropic_LiAndItsTangent(my_Li, my_dLi_dS, S ,ph,me)
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
active = .true.
end select plasticType
KinematicsLoop: do k = 1, Nmodels(ph)
kinematicsType: select case (model(k,ph))
case (KINEMATICS_thermal_expansion_ID) kinematicsType
call thermalexpansion_LiAndItsTangent(my_Li, my_dLi_dS, ph,me)
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
active = .true.
end select kinematicsType
enddo KinematicsLoop
select case (model_damage(ph))
case (KINEMATICS_cleavage_opening_ID)
call kinematics_cleavage_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, ph, me)
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
active = .true.
case (KINEMATICS_slipplane_opening_ID)
call kinematics_slipplane_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, ph, me)
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
active = .true.
end select
if(.not. active) return
FiInv = math_inv33(Fi)
detFi = math_det33(Fi)
Li = matmul(matmul(Fi,Li),FiInv)*detFi !< push forward to intermediate configuration
temp_33 = matmul(FiInv,Li)
do i = 1,3; do j = 1,3
dLi_dS(1:3,1:3,i,j) = matmul(matmul(Fi,dLi_dS(1:3,1:3,i,j)),FiInv)*detFi
dLi_dFi(1:3,1:3,i,j) = dLi_dFi(1:3,1:3,i,j) + Li*FiInv(j,i)
dLi_dFi(1:3,i,1:3,j) = dLi_dFi(1:3,i,1:3,j) + math_I3*temp_33(j,i) + Li*FiInv(j,i)
enddo; enddo
end subroutine phase_LiAndItsTangents
end submodule eigen

32
src/phase_mechanical_eigen_cleavageopening.f90 Normal file
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@ -0,0 +1,32 @@
!--------------------------------------------------------------------------------------------------
!> @author Luv Sharma, Max-Planck-Institut für Eisenforschung GmbH
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine incorporating kinematics resulting from opening of cleavage planes
!> @details to be done
!--------------------------------------------------------------------------------------------------
submodule(phase:eigen) cleavageopening
contains
!--------------------------------------------------------------------------------------------------
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module function kinematics_cleavage_opening_init() result(myKinematics)
logical, dimension(:), allocatable :: myKinematics
myKinematics = kinematics_active2('anisobrittle')
if(count(myKinematics) == 0) return
print'(/,a)', ' <<<+- phase:mechanical:eigen:cleavageopening init -+>>>'
print'(a,i2)', ' # phases: ',count(myKinematics); flush(IO_STDOUT)
end function kinematics_cleavage_opening_init
end submodule cleavageopening

62
src/phase_mechanics_eigendeformation_slipplaneopening.f90 → src/phase_mechanical_eigen_slipplaneopening.f90
View File

@ -4,7 +4,7 @@
!> @brief material subroutine incorporating kinematics resulting from opening of slip planes
!> @details to be done
!--------------------------------------------------------------------------------------------------
submodule(phase:eigendeformation) slipplaneopening
submodule(phase:eigen) slipplaneopening
integer, dimension(:), allocatable :: kinematics_slipplane_opening_instance
@ -32,12 +32,11 @@ contains
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module function kinematics_slipplane_opening_init(kinematics_length) result(myKinematics)
module function kinematics_slipplane_opening_init() result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
logical, dimension(:), allocatable :: myKinematics
integer :: Ninstances,p,i,k
integer :: p,i
character(len=pStringLen) :: extmsg = ''
integer, dimension(:), allocatable :: N_sl
real(pReal), dimension(:,:), allocatable :: d,n,t
@ -49,28 +48,26 @@ module function kinematics_slipplane_opening_init(kinematics_length) result(myKi
kinematics, &
kinematic_type
print'(/,a)', ' <<<+- phase:mechanics:eigendeformation:slipplaneopening init -+>>>'
myKinematics = kinematics_active('slipplane_opening',kinematics_length)
Ninstances = count(myKinematics)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
myKinematics = kinematics_active2('isoductile')
if(count(myKinematics) == 0) return
print'(/,a)', ' <<<+- phase:mechanical:eigen:slipplaneopening init -+>>>'
print'(a,i2)', ' # phases: ',count(myKinematics); flush(IO_STDOUT)
phases => config_material%get('phase')
allocate(kinematics_slipplane_opening_instance(phases%length), source=0)
allocate(param(Ninstances))
allocate(param(phases%length))
do p = 1, phases%length
if(any(myKinematics(:,p))) kinematics_slipplane_opening_instance(p) = count(myKinematics(:,1:p))
phase => phases%get(p)
mech => phase%get('mechanics')
pl => mech%get('plasticity')
if(count(myKinematics(:,p)) == 0) cycle
kinematics => phase%get('kinematics')
do k = 1, kinematics%length
if(myKinematics(k,p)) then
associate(prm => param(kinematics_slipplane_opening_instance(p)))
kinematic_type => kinematics%get(k)
if(myKinematics(p)) then
phase => phases%get(p)
mech => phase%get('mechanics')
pl => mech%get('plasticity')
kinematics => phase%get('damage')
associate(prm => param(p))
kinematic_type => kinematics%get(1)
prm%dot_o = kinematic_type%get_asFloat('dot_o')
prm%q = kinematic_type%get_asFloat('q')
@ -105,9 +102,8 @@ module function kinematics_slipplane_opening_init(kinematics_length) result(myKi
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(slipplane_opening)')
end associate
endif
enddo
end associate
endif
enddo
@ -117,12 +113,10 @@ end function kinematics_slipplane_opening_init
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
!--------------------------------------------------------------------------------------------------
module subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, co, ip, el)
module subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, ph,me)
integer, intent(in) :: &
co, & !< grain number
ip, & !< integration point number
el !< element number
ph, me
real(pReal), intent(in), dimension(3,3) :: &
S
real(pReal), intent(out), dimension(3,3) :: &
@ -131,19 +125,13 @@ module subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
integer :: &
instance, phase, &
homog, damageOffset, &
i, k, l, m, n
real(pReal) :: &
traction_d, traction_t, traction_n, traction_crit, &
udotd, dudotd_dt, udott, dudott_dt, udotn, dudotn_dt
phase = material_phaseAt(co,el)
instance = kinematics_slipplane_opening_instance(phase)
homog = material_homogenizationAt(el)
damageOffset = material_homogenizationMemberAt(ip,el)
associate(prm => param(instance))
associate(prm => param(ph))
Ld = 0.0_pReal
dLd_dTstar = 0.0_pReal
do i = 1, prm%sum_N_sl
@ -152,7 +140,7 @@ module subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S
traction_t = math_tensordot(S,prm%P_t(1:3,1:3,i))
traction_n = math_tensordot(S,prm%P_n(1:3,1:3,i))
traction_crit = prm%g_crit(i)* damage(homog)%p(damageOffset) ! degrading critical load carrying capacity by damage
traction_crit = prm%g_crit(i)* damage_phi(ph,me)
udotd = sign(1.0_pReal,traction_d)* prm%dot_o* ( abs(traction_d)/traction_crit &
- abs(traction_d)/prm%g_crit(i))**prm%q

8
src/phase_mechanics_eigendeformation_thermalexpansion.f90 → src/phase_mechanical_eigen_thermalexpansion.f90
View File

@ -3,7 +3,7 @@
!> @brief material subroutine incorporating kinematics resulting from thermal expansion
!> @details to be done
!--------------------------------------------------------------------------------------------------
submodule(phase:eigendeformation) thermalexpansion
submodule(phase:eigen) thermalexpansion
integer, dimension(:), allocatable :: kinematics_thermal_expansion_instance
@ -23,7 +23,7 @@ contains
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module function kinematics_thermal_expansion_init(kinematics_length) result(myKinematics)
module function thermalexpansion_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
@ -36,7 +36,7 @@ module function kinematics_thermal_expansion_init(kinematics_length) result(myKi
kinematics, &
kinematic_type
print'(/,a)', ' <<<+- phase:mechanics:eigendeformation:thermalexpansion init -+>>>'
print'(/,a)', ' <<<+- phase:mechanical:eigen:thermalexpansion init -+>>>'
myKinematics = kinematics_active('thermal_expansion',kinematics_length)
Ninstances = count(myKinematics)
@ -77,7 +77,7 @@ module function kinematics_thermal_expansion_init(kinematics_length) result(myKi
enddo
end function kinematics_thermal_expansion_init
end function thermalexpansion_init
!--------------------------------------------------------------------------------------------------

127
src/phase_mechanics_plastic.f90 → src/phase_mechanical_plastic.f90
View File

@ -1,4 +1,4 @@
submodule(phase:mechanics) plastic
submodule(phase:mechanical) plastic
interface
@ -104,7 +104,7 @@ submodule(phase:mechanics) plastic
end subroutine dislotungsten_LpAndItsTangent
module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
Mp,Temperature,ph,me,ip,el)
Mp,Temperature,ph,me)
real(pReal), dimension(3,3), intent(out) :: &
Lp
real(pReal), dimension(3,3,3,3), intent(out) :: &
@ -116,9 +116,7 @@ submodule(phase:mechanics) plastic
Temperature
integer, intent(in) :: &
ph, &
me, &
ip, & !< current integration point
el !< current element number
me
end subroutine nonlocal_LpAndItsTangent
@ -179,44 +177,42 @@ submodule(phase:mechanics) plastic
el !< current element number
end subroutine nonlocal_dotState
module subroutine dislotwin_dependentState(T,instance,me)
module subroutine dislotwin_dependentState(T,ph,me)
integer, intent(in) :: &
instance, &
ph, &
me
real(pReal), intent(in) :: &
T
end subroutine dislotwin_dependentState
module subroutine dislotungsten_dependentState(instance,me)
module subroutine dislotungsten_dependentState(ph,me)
integer, intent(in) :: &
instance, &
ph, &
me
end subroutine dislotungsten_dependentState
module subroutine nonlocal_dependentState(instance, me, ip, el)
module subroutine nonlocal_dependentState(ph, me, ip, el)
integer, intent(in) :: &
instance, &
ph, &
me, &
ip, & !< current integration point
el !< current element number
end subroutine nonlocal_dependentState
module subroutine plastic_kinehardening_deltaState(Mp,instance,me)
module subroutine plastic_kinehardening_deltaState(Mp,ph,me)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
ph, &
me
end subroutine plastic_kinehardening_deltaState
module subroutine plastic_nonlocal_deltaState(Mp,instance,me,ip,el)
module subroutine plastic_nonlocal_deltaState(Mp,ph,me)
real(pReal), dimension(3,3), intent(in) :: &
Mp
integer, intent(in) :: &
instance, &
me, &
ip, &
el
ph, &
me
end subroutine plastic_nonlocal_deltaState
end interface
@ -226,7 +222,7 @@ contains
module subroutine plastic_init
print'(/,a)', ' <<<+- phase:mechanics:plastic init -+>>>'
print'(/,a)', ' <<<+- phase:mechanical:plastic init -+>>>'
where(plastic_none_init()) phase_plasticity = PLASTICITY_NONE_ID
where(plastic_isotropic_init()) phase_plasticity = PLASTICITY_ISOTROPIC_ID
@ -244,11 +240,9 @@ end subroutine plastic_init
! Mp in, dLp_dMp out
!--------------------------------------------------------------------------------------------------
module subroutine plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
S, Fi, co, ip, el)
S, Fi, ph,me)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
ph,me
real(pReal), intent(in), dimension(3,3) :: &
S, & !< 2nd Piola-Kirchhoff stress
Fi !< intermediate deformation gradient
@ -263,38 +257,37 @@ module subroutine plastic_LpAndItsTangents(Lp, dLp_dS, dLp_dFi, &
real(pReal), dimension(3,3) :: &
Mp !< Mandel stress work conjugate with Lp
integer :: &
i, j, me, ph
i, j
Mp = matmul(matmul(transpose(Fi),Fi),S)
me = material_phasememberAt(co,ip,el)
ph = material_phaseAt(co,el)
plasticityType: select case (phase_plasticity(material_phaseAt(co,el)))
case (PLASTICITY_NONE_ID) plasticityType
plasticType: select case (phase_plasticity(ph))
case (PLASTICITY_NONE_ID) plasticType
Lp = 0.0_pReal
dLp_dMp = 0.0_pReal
case (PLASTICITY_ISOTROPIC_ID) plasticityType
case (PLASTICITY_ISOTROPIC_ID) plasticType
call isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,me)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
case (PLASTICITY_PHENOPOWERLAW_ID) plasticType
call phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,me)
case (PLASTICITY_KINEHARDENING_ID) plasticityType
case (PLASTICITY_KINEHARDENING_ID) plasticType
call kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,me)
case (PLASTICITY_NONLOCAL_ID) plasticityType
call nonlocal_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),ph,me,ip,el)
case (PLASTICITY_NONLOCAL_ID) plasticType
call nonlocal_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),ph,me)
case (PLASTICITY_DISLOTWIN_ID) plasticityType
case (PLASTICITY_DISLOTWIN_ID) plasticType
call dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),ph,me)
case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
case (PLASTICITY_DISLOTUNGSTEN_ID) plasticType
call dislotungsten_LpAndItsTangent(Lp,dLp_dMp,Mp, thermal_T(ph,me),ph,me)
end select plasticityType
end select plasticType
do i=1,3; do j=1,3
dLp_dFi(i,j,1:3,1:3) = matmul(matmul(Fi,S),transpose(dLp_dMp(i,j,1:3,1:3))) + &
@ -323,29 +316,29 @@ module function plastic_dotState(subdt,co,ip,el,ph,me) result(broken)
logical :: broken
Mp = matmul(matmul(transpose(constitutive_mech_Fi(ph)%data(1:3,1:3,me)),&
constitutive_mech_Fi(ph)%data(1:3,1:3,me)),constitutive_mech_S(ph)%data(1:3,1:3,me))
Mp = matmul(matmul(transpose(phase_mechanical_Fi(ph)%data(1:3,1:3,me)),&
phase_mechanical_Fi(ph)%data(1:3,1:3,me)),phase_mechanical_S(ph)%data(1:3,1:3,me))
plasticityType: select case (phase_plasticity(ph))
plasticType: select case (phase_plasticity(ph))
case (PLASTICITY_ISOTROPIC_ID) plasticityType
case (PLASTICITY_ISOTROPIC_ID) plasticType
call isotropic_dotState(Mp,ph,me)
case (PLASTICITY_PHENOPOWERLAW_ID) plasticityType
case (PLASTICITY_PHENOPOWERLAW_ID) plasticType
call phenopowerlaw_dotState(Mp,ph,me)
case (PLASTICITY_KINEHARDENING_ID) plasticityType
case (PLASTICITY_KINEHARDENING_ID) plasticType
call plastic_kinehardening_dotState(Mp,ph,me)
case (PLASTICITY_DISLOTWIN_ID) plasticityType
case (PLASTICITY_DISLOTWIN_ID) plasticType
call dislotwin_dotState(Mp,thermal_T(ph,me),ph,me)
case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
case (PLASTICITY_DISLOTUNGSTEN_ID) plasticType
call dislotungsten_dotState(Mp,thermal_T(ph,me),ph,me)
case (PLASTICITY_NONLOCAL_ID) plasticityType
case (PLASTICITY_NONLOCAL_ID) plasticType
call nonlocal_dotState(Mp,thermal_T(ph,me),subdt,ph,me,ip,el)
end select plasticityType
end select plasticType
broken = any(IEEE_is_NaN(plasticState(ph)%dotState(:,me)))
@ -364,25 +357,24 @@ module subroutine plastic_dependentState(co, ip, el)
integer :: &
ph, &
instance, me
me
ph = material_phaseAt(co,el)
me = material_phasememberAt(co,ip,el)
instance = phase_plasticityInstance(ph)
plasticityType: select case (phase_plasticity(material_phaseAt(co,el)))
plasticType: select case (phase_plasticity(material_phaseAt(co,el)))
case (PLASTICITY_DISLOTWIN_ID) plasticityType
call dislotwin_dependentState(thermal_T(ph,me),instance,me)
case (PLASTICITY_DISLOTWIN_ID) plasticType
call dislotwin_dependentState(thermal_T(ph,me),ph,me)
case (PLASTICITY_DISLOTUNGSTEN_ID) plasticityType
call dislotungsten_dependentState(instance,me)
case (PLASTICITY_DISLOTUNGSTEN_ID) plasticType
call dislotungsten_dependentState(ph,me)
case (PLASTICITY_NONLOCAL_ID) plasticityType
call nonlocal_dependentState(instance,me,ip,el)
case (PLASTICITY_NONLOCAL_ID) plasticType
call nonlocal_dependentState(ph,me,ip,el)
end select plasticityType
end select plasticType
end subroutine plastic_dependentState
@ -391,12 +383,9 @@ end subroutine plastic_dependentState
!> @brief for constitutive models having an instantaneous change of state
!> will return false if delta state is not needed/supported by the constitutive model
!--------------------------------------------------------------------------------------------------
module function plastic_deltaState(co, ip, el, ph, me) result(broken)
module function plastic_deltaState(ph, me) result(broken)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el, & !< element
ph, &
me
logical :: &
@ -405,29 +394,27 @@ module function plastic_deltaState(co, ip, el, ph, me) result(broken)
real(pReal), dimension(3,3) :: &
Mp
integer :: &
instance, &
myOffset, &
mySize
Mp = matmul(matmul(transpose(constitutive_mech_Fi(ph)%data(1:3,1:3,me)),&
constitutive_mech_Fi(ph)%data(1:3,1:3,me)),constitutive_mech_S(ph)%data(1:3,1:3,me))
instance = phase_plasticityInstance(ph)
Mp = matmul(matmul(transpose(phase_mechanical_Fi(ph)%data(1:3,1:3,me)),&
phase_mechanical_Fi(ph)%data(1:3,1:3,me)),phase_mechanical_S(ph)%data(1:3,1:3,me))
plasticityType: select case (phase_plasticity(ph))
plasticType: select case (phase_plasticity(ph))
case (PLASTICITY_KINEHARDENING_ID) plasticityType
call plastic_kinehardening_deltaState(Mp,instance,me)
case (PLASTICITY_KINEHARDENING_ID) plasticType
call plastic_kinehardening_deltaState(Mp,ph,me)
broken = any(IEEE_is_NaN(plasticState(ph)%deltaState(:,me)))
case (PLASTICITY_NONLOCAL_ID) plasticityType
call plastic_nonlocal_deltaState(Mp,instance,me,ip,el)
case (PLASTICITY_NONLOCAL_ID) plasticType
call plastic_nonlocal_deltaState(Mp,ph,me)
broken = any(IEEE_is_NaN(plasticState(ph)%deltaState(:,me)))
case default
broken = .false.
end select plasticityType
end select plasticType
if(.not. broken) then
select case(phase_plasticity(ph))

106
src/phase_mechanics_plastic_dislotungsten.f90 → src/phase_mechanical_plastic_dislotungsten.f90
View File

@ -78,8 +78,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity
integer :: &
Ninstances, &
p, i, &
ph, i, &
Nconstituents, &
sizeState, sizeDotState, &
startIndex, endIndex
@ -97,32 +96,31 @@ module function plastic_dislotungsten_init() result(myPlasticity)
mech, &
pl
print'(/,a)', ' <<<+- phase:mechanics:plastic:dislotungsten init -+>>>'
myPlasticity = plastic_active('dislotungsten')
Ninstances = count(myPlasticity)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
if(count(myPlasticity) == 0) return
print'(/,a)', ' <<<+- phase:mechanical:plastic:dislotungsten init -+>>>'
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
print*, 'Cereceda et al., International Journal of Plasticity 78:242–256, 2016'
print*, 'https://dx.doi.org/10.1016/j.ijplas.2015.09.002'
allocate(param(Ninstances))
allocate(state(Ninstances))
allocate(dotState(Ninstances))
allocate(dependentState(Ninstances))
phases => config_material%get('phase')
i = 0
do p = 1, phases%length
phase => phases%get(p)
allocate(param(phases%length))
allocate(state(phases%length))
allocate(dotState(phases%length))
allocate(dependentState(phases%length))
do ph = 1, phases%length
if(.not. myPlasticity(ph)) cycle
associate(prm => param(ph), dot => dotState(ph), stt => state(ph), dst => dependentState(ph))
phase => phases%get(ph)
mech => phase%get('mechanics')
if(.not. myPlasticity(p)) cycle
i = i + 1
associate(prm => param(i), &
dot => dotState(i), &
stt => state(i), &
dst => dependentState(i))
pl => mech%get('plasticity')
#if defined (__GFORTRAN__)
@ -132,7 +130,7 @@ module function plastic_dislotungsten_init() result(myPlasticity)
#endif
! This data is read in already in lattice
prm%mu = lattice_mu(p)
prm%mu = lattice_mu(ph)
!--------------------------------------------------------------------------------------------------
! slip related parameters
@ -222,41 +220,41 @@ module function plastic_dislotungsten_init() result(myPlasticity)
!--------------------------------------------------------------------------------------------------
! allocate state arrays
Nconstituents = count(material_phaseAt2 == p)
Nconstituents = count(material_phaseAt2 == ph)
sizeDotState = size(['rho_mob ','rho_dip ','gamma_sl']) * prm%sum_N_sl
sizeState = sizeDotState
call constitutive_allocateState(plasticState(p),Nconstituents,sizeState,sizeDotState,0)
call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,0)
!--------------------------------------------------------------------------------------------------
! state aliases and initialization
startIndex = 1
endIndex = prm%sum_N_sl
stt%rho_mob => plasticState(p)%state(startIndex:endIndex,:)
stt%rho_mob => plasticState(ph)%state(startIndex:endIndex,:)
stt%rho_mob = spread(rho_mob_0,2,Nconstituents)
dot%rho_mob => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
dot%rho_mob => plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%rho_dip => plasticState(p)%state(startIndex:endIndex,:)
stt%rho_dip => plasticState(ph)%state(startIndex:endIndex,:)
stt%rho_dip = spread(rho_dip_0,2,Nconstituents)
dot%rho_dip => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
dot%rho_dip => plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%gamma_sl => plasticState(p)%state(startIndex:endIndex,:)
dot%gamma_sl => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = 1.0e-2_pReal
stt%gamma_sl => plasticState(ph)%state(startIndex:endIndex,:)
dot%gamma_sl => plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = 1.0e-2_pReal
! global alias
plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(ph)%slipRate => plasticState(ph)%dotState(startIndex:endIndex,:)
allocate(dst%Lambda_sl(prm%sum_N_sl,Nconstituents), source=0.0_pReal)
allocate(dst%threshold_stress(prm%sum_N_sl,Nconstituents), source=0.0_pReal)
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
plasticState(ph)%state0 = plasticState(ph)%state ! ToDo: this could be done centrally
end associate
@ -289,16 +287,16 @@ pure module subroutine dislotungsten_LpAndItsTangent(Lp,dLp_dMp, &
integer :: &
i,k,l,m,n
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
dot_gamma_pos,dot_gamma_neg, &
ddot_gamma_dtau_pos,ddot_gamma_dtau_neg
Lp = 0.0_pReal
dLp_dMp = 0.0_pReal
associate(prm => param(phase_plasticityInstance(ph)))
associate(prm => param(ph))
call kinetics(Mp,T,phase_plasticityInstance(ph),me,dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg)
call kinetics(Mp,T,ph,me,dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg)
do i = 1, prm%sum_N_sl
Lp = Lp + (dot_gamma_pos(i)+dot_gamma_neg(i))*prm%P_sl(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@ -327,7 +325,7 @@ module subroutine dislotungsten_dotState(Mp,T,ph,me)
real(pReal) :: &
VacancyDiffusion
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
gdot_pos, gdot_neg,&
tau_pos,&
tau_neg, &
@ -336,10 +334,10 @@ module subroutine dislotungsten_dotState(Mp,T,ph,me)
dot_rho_dip_climb, &
dip_distance
associate(prm => param(phase_plasticityInstance(ph)), stt => state(phase_plasticityInstance(ph)),&
dot => dotState(phase_plasticityInstance(ph)), dst => dependentState(phase_plasticityInstance(ph)))
associate(prm => param(ph), stt => state(ph),&
dot => dotState(ph), dst => dependentState(ph))
call kinetics(Mp,T,phase_plasticityInstance(ph),me,&
call kinetics(Mp,T,ph,me,&
gdot_pos,gdot_neg, &
tau_pos_out = tau_pos,tau_neg_out = tau_neg)
@ -376,16 +374,16 @@ end subroutine dislotungsten_dotState
!--------------------------------------------------------------------------------------------------
!> @brief Calculate derived quantities from state.
!--------------------------------------------------------------------------------------------------
module subroutine dislotungsten_dependentState(instance,me)
module subroutine dislotungsten_dependentState(ph,me)
integer, intent(in) :: &
instance, &
ph, &
me
real(pReal), dimension(param(instance)%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
dislocationSpacing
associate(prm => param(instance), stt => state(instance),dst => dependentState(instance))
associate(prm => param(ph), stt => state(ph),dst => dependentState(ph))
dislocationSpacing = sqrt(matmul(prm%forestProjection,stt%rho_mob(:,me)+stt%rho_dip(:,me)))
dst%threshold_stress(:,me) = prm%mu*prm%b_sl &
@ -401,14 +399,14 @@ end subroutine dislotungsten_dependentState
!--------------------------------------------------------------------------------------------------
!> @brief Write results to HDF5 output file.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_dislotungsten_results(instance,group)
module subroutine plastic_dislotungsten_results(ph,group)
integer, intent(in) :: instance
integer, intent(in) :: ph
character(len=*), intent(in) :: group
integer :: o
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case('rho_mob')
@ -440,7 +438,7 @@ end subroutine plastic_dislotungsten_results
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics(Mp,T,instance,me, &
pure subroutine kinetics(Mp,T,ph,me, &
dot_gamma_pos,dot_gamma_neg,ddot_gamma_dtau_pos,ddot_gamma_dtau_neg,tau_pos_out,tau_neg_out)
real(pReal), dimension(3,3), intent(in) :: &
@ -448,18 +446,18 @@ pure subroutine kinetics(Mp,T,instance,me, &
real(pReal), intent(in) :: &
T !< temperature
integer, intent(in) :: &
instance, &
ph, &
me
real(pReal), intent(out), dimension(param(instance)%sum_N_sl) :: &
real(pReal), intent(out), dimension(param(ph)%sum_N_sl) :: &
dot_gamma_pos, &
dot_gamma_neg
real(pReal), intent(out), optional, dimension(param(instance)%sum_N_sl) :: &
real(pReal), intent(out), optional, dimension(param(ph)%sum_N_sl) :: &
ddot_gamma_dtau_pos, &
ddot_gamma_dtau_neg, &
tau_pos_out, &
tau_neg_out
real(pReal), dimension(param(instance)%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
StressRatio, &
StressRatio_p,StressRatio_pminus1, &
dvel, vel, &
@ -468,7 +466,7 @@ pure subroutine kinetics(Mp,T,instance,me, &
needsGoodName ! ToDo: @Karo: any idea?
integer :: j
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
do j = 1, prm%sum_N_sl
tau_pos(j) = math_tensordot(Mp,prm%nonSchmid_pos(1:3,1:3,j))

195
src/phase_mechanics_plastic_dislotwin.f90 → src/phase_mechanical_plastic_dislotwin.f90
View File

@ -48,7 +48,7 @@ submodule(phase:plastic) dislotwin
dot_N_0_tr, & !< trans nucleation rate [1/m³s] for each trans system
t_tw, & !< twin thickness [m] for each twin system
i_sl, & !< Adj. parameter for distance between 2 forest dislocations for each slip system
t_tr, & !< martensite lamellar thickness [m] for each trans system and instance
t_tr, & !< martensite lamellar thickness [m] for each trans system
p, & !< p-exponent in glide velocity
q, & !< q-exponent in glide velocity
r, & !< r-exponent in twin nucleation rate
@ -126,8 +126,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity
integer :: &
Ninstances, &
p, i, &
ph, i, &
Nconstituents, &
sizeState, sizeDotState, &
startIndex, endIndex
@ -144,12 +143,12 @@ module function plastic_dislotwin_init() result(myPlasticity)
mech, &
pl
print'(/,a)', ' <<<+- phase:mechanics:plastic:dislotwin init -+>>>'
myPlasticity = plastic_active('dislotwin')
Ninstances = count(myPlasticity)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
if(count(myPlasticity) == 0) return
print'(/,a)', ' <<<+- phase:mechanical:plastic:dislotwin init -+>>>'
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
print*, 'Ma and Roters, Acta Materialia 52(12):3603–3612, 2004'
print*, 'https://doi.org/10.1016/j.actamat.2004.04.012'//IO_EOL
@ -160,22 +159,21 @@ module function plastic_dislotwin_init() result(myPlasticity)
print*, 'Wong et al., Acta Materialia 118:140–151, 2016'
print*, 'https://doi.org/10.1016/j.actamat.2016.07.032'
allocate(param(Ninstances))
allocate(state(Ninstances))
allocate(dotState(Ninstances))
allocate(dependentState(Ninstances))
phases => config_material%get('phase')
i = 0
do p = 1, phases%length
phase => phases%get(p)
allocate(param(phases%length))
allocate(state(phases%length))
allocate(dotState(phases%length))
allocate(dependentState(phases%length))
do ph = 1, phases%length
if(.not. myPlasticity(ph)) cycle
associate(prm => param(ph), dot => dotState(ph), stt => state(ph), dst => dependentState(ph))
phase => phases%get(ph)
mech => phase%get('mechanics')
if(.not. myPlasticity(p)) cycle
i = i + 1
associate(prm => param(i), &
dot => dotState(i), &
stt => state(i), &
dst => dependentState(i))
pl => mech%get('plasticity')
#if defined (__GFORTRAN__)
@ -185,9 +183,9 @@ module function plastic_dislotwin_init() result(myPlasticity)
#endif
! This data is read in already in lattice
prm%mu = lattice_mu(p)
prm%nu = lattice_nu(p)
prm%C66 = lattice_C66(1:6,1:6,p)
prm%mu = lattice_mu(ph)
prm%nu = lattice_nu(ph)
prm%C66 = lattice_C66(1:6,1:6,ph)
!--------------------------------------------------------------------------------------------------
! slip related parameters
@ -204,8 +202,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
prm%n0_sl = lattice_slip_normal(N_sl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
prm%fccTwinTransNucleation = merge(.true., .false., lattice_structure(p) == lattice_FCC_ID) &
.and. (N_sl(1) == 12)
prm%fccTwinTransNucleation = lattice_structure(ph) == lattice_FCC_ID .and. (N_sl(1) == 12)
if(prm%fccTwinTransNucleation) prm%fcc_twinNucleationSlipPair = lattice_FCC_TWINNUCLEATIONSLIPPAIR
rho_mob_0 = pl%get_asFloats('rho_mob_0', requiredSize=size(N_sl))
@ -234,7 +231,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
! multiplication factor according to crystal structure (nearest neighbors bcc vs fcc/hex)
! details: Argon & Moffat, Acta Metallurgica, Vol. 29, pg 293 to 299, 1981
prm%omega = pl%get_asFloat('omega', defaultVal = 1000.0_pReal) &
* merge(12.0_pReal,8.0_pReal,any(lattice_structure(p) == [lattice_FCC_ID,lattice_HEX_ID]))
* merge(12.0_pReal,8.0_pReal,any(lattice_structure(ph) == [lattice_FCC_ID,lattice_HEX_ID]))
! expand: family => system
rho_mob_0 = math_expand(rho_mob_0, N_sl)
@ -342,7 +339,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
pl%get_asFloat('a_cI', defaultVal=0.0_pReal), &
pl%get_asFloat('a_cF', defaultVal=0.0_pReal))
if (lattice_structure(p) /= lattice_FCC_ID) then
if (lattice_structure(ph) /= lattice_FCC_ID) then
prm%dot_N_0_tr = pl%get_asFloats('dot_N_0_tr')
prm%dot_N_0_tr = math_expand(prm%dot_N_0_tr,N_tr)
endif
@ -357,7 +354,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
if ( prm%i_tr < 0.0_pReal) extmsg = trim(extmsg)//' i_tr'
if (any(prm%t_tr < 0.0_pReal)) extmsg = trim(extmsg)//' t_tr'
if (any(prm%s < 0.0_pReal)) extmsg = trim(extmsg)//' p_tr'
if (lattice_structure(p) /= lattice_FCC_ID) then
if (lattice_structure(ph) /= lattice_FCC_ID) then
if (any(prm%dot_N_0_tr < 0.0_pReal)) extmsg = trim(extmsg)//' dot_N_0_tr'
endif
else transActive
@ -408,53 +405,53 @@ module function plastic_dislotwin_init() result(myPlasticity)
!--------------------------------------------------------------------------------------------------
! allocate state arrays
Nconstituents = count(material_phaseAt2 == p)
Nconstituents = count(material_phaseAt2 == ph)
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
sizeState = sizeDotState
call constitutive_allocateState(plasticState(p),Nconstituents,sizeState,sizeDotState,0)
call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,0)
!--------------------------------------------------------------------------------------------------
! locally defined state aliases and initialization of state0 and atol
startIndex = 1
endIndex = prm%sum_N_sl
stt%rho_mob=>plasticState(p)%state(startIndex:endIndex,:)
stt%rho_mob=>plasticState(ph)%state(startIndex:endIndex,:)
stt%rho_mob= spread(rho_mob_0,2,Nconstituents)
dot%rho_mob=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
dot%rho_mob=>plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_rho'
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%rho_dip=>plasticState(p)%state(startIndex:endIndex,:)
stt%rho_dip=>plasticState(ph)%state(startIndex:endIndex,:)
stt%rho_dip= spread(rho_dip_0,2,Nconstituents)
dot%rho_dip=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
dot%rho_dip=>plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_rho',defaultVal=1.0_pReal)
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%gamma_sl=>plasticState(p)%state(startIndex:endIndex,:)
dot%gamma_sl=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = 1.0e-2_pReal
stt%gamma_sl=>plasticState(ph)%state(startIndex:endIndex,:)
dot%gamma_sl=>plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = 1.0e-2_pReal
! global alias
plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(ph)%slipRate => plasticState(ph)%dotState(startIndex:endIndex,:)
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_tw
stt%f_tw=>plasticState(p)%state(startIndex:endIndex,:)
dot%f_tw=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('f_twin',defaultVal=1.0e-7_pReal)
if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' f_twin'
stt%f_tw=>plasticState(ph)%state(startIndex:endIndex,:)
dot%f_tw=>plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('f_twin',defaultVal=1.0e-7_pReal)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' f_twin'
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_tr
stt%f_tr=>plasticState(p)%state(startIndex:endIndex,:)
dot%f_tr=>plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('f_trans',defaultVal=1.0e-6_pReal)
if (any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' f_trans'
stt%f_tr=>plasticState(ph)%state(startIndex:endIndex,:)
dot%f_tr=>plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('f_trans',defaultVal=1.0e-6_pReal)
if (any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' f_trans'
allocate(dst%Lambda_sl (prm%sum_N_sl,Nconstituents),source=0.0_pReal)
allocate(dst%tau_pass (prm%sum_N_sl,Nconstituents),source=0.0_pReal)
@ -469,7 +466,7 @@ module function plastic_dislotwin_init() result(myPlasticity)
allocate(dst%tau_r_tr (prm%sum_N_tr,Nconstituents),source=0.0_pReal)
allocate(dst%V_tr (prm%sum_N_tr,Nconstituents),source=0.0_pReal)
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
plasticState(ph)%state0 = plasticState(ph)%state ! ToDo: this could be done centrally
end associate
@ -496,8 +493,8 @@ module function plastic_dislotwin_homogenizedC(ph,me) result(homogenizedC)
real(pReal) :: f_unrotated
associate(prm => param(phase_plasticityInstance(ph)),&
stt => state(phase_plasticityInstance(ph)))
associate(prm => param(ph),&
stt => state(ph))
f_unrotated = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,me)) &
@ -535,11 +532,11 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,me)
BoltzmannRatio, &
ddot_gamma_dtau, &
tau
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
dot_gamma_sl,ddot_gamma_dtau_slip
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_tw) :: &
real(pReal), dimension(param(ph)%sum_N_tw) :: &
dot_gamma_twin,ddot_gamma_dtau_twin
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_tr) :: &
real(pReal), dimension(param(ph)%sum_N_tr) :: &
dot_gamma_tr,ddot_gamma_dtau_trans
real(pReal):: dot_gamma_sb
real(pReal), dimension(3,3) :: eigVectors, P_sb
@ -564,7 +561,7 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,me)
0, 1, 1 &
],pReal),[ 3,6])
associate(prm => param(phase_plasticityInstance(ph)), stt => state(phase_plasticityInstance(ph)))
associate(prm => param(ph), stt => state(ph))
f_unrotated = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,me)) &
@ -573,7 +570,7 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,me)
Lp = 0.0_pReal
dLp_dMp = 0.0_pReal
call kinetics_slip(Mp,T,phase_plasticityInstance(ph),me,dot_gamma_sl,ddot_gamma_dtau_slip)
call kinetics_slip(Mp,T,ph,me,dot_gamma_sl,ddot_gamma_dtau_slip)
slipContribution: do i = 1, prm%sum_N_sl
Lp = Lp + dot_gamma_sl(i)*prm%P_sl(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@ -581,7 +578,7 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,me)
+ ddot_gamma_dtau_slip(i) * prm%P_sl(k,l,i) * prm%P_sl(m,n,i)
enddo slipContribution
call kinetics_twin(Mp,T,dot_gamma_sl,phase_plasticityInstance(ph),me,dot_gamma_twin,ddot_gamma_dtau_twin)
call kinetics_twin(Mp,T,dot_gamma_sl,ph,me,dot_gamma_twin,ddot_gamma_dtau_twin)
twinContibution: do i = 1, prm%sum_N_tw
Lp = Lp + dot_gamma_twin(i)*prm%P_tw(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@ -589,7 +586,7 @@ module subroutine dislotwin_LpAndItsTangent(Lp,dLp_dMp,Mp,T,ph,me)
+ ddot_gamma_dtau_twin(i)* prm%P_tw(k,l,i)*prm%P_tw(m,n,i)
enddo twinContibution
call kinetics_trans(Mp,T,dot_gamma_sl,phase_plasticityInstance(ph),me,dot_gamma_tr,ddot_gamma_dtau_trans)
call kinetics_trans(Mp,T,dot_gamma_sl,ph,me,dot_gamma_tr,ddot_gamma_dtau_trans)
transContibution: do i = 1, prm%sum_N_tr
Lp = Lp + dot_gamma_tr(i)*prm%P_tr(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@ -653,24 +650,24 @@ module subroutine dislotwin_dotState(Mp,T,ph,me)
tau, &
sigma_cl, & !< climb stress
b_d !< ratio of Burgers vector to stacking fault width
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
dot_rho_dip_formation, &
dot_rho_dip_climb, &
rho_dip_distance_min, &
dot_gamma_sl
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_tw) :: &
real(pReal), dimension(param(ph)%sum_N_tw) :: &
dot_gamma_twin
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_tr) :: &
real(pReal), dimension(param(ph)%sum_N_tr) :: &
dot_gamma_tr
associate(prm => param(phase_plasticityInstance(ph)), stt => state(phase_plasticityInstance(ph)), &
dot => dotState(phase_plasticityInstance(ph)), dst => dependentState(phase_plasticityInstance(ph)))
associate(prm => param(ph), stt => state(ph), &
dot => dotState(ph), dst => dependentState(ph))
f_unrotated = 1.0_pReal &
- sum(stt%f_tw(1:prm%sum_N_tw,me)) &
- sum(stt%f_tr(1:prm%sum_N_tr,me))
call kinetics_slip(Mp,T,phase_plasticityInstance(ph),me,dot_gamma_sl)
call kinetics_slip(Mp,T,ph,me,dot_gamma_sl)
dot%gamma_sl(:,me) = abs(dot_gamma_sl)
rho_dip_distance_min = prm%D_a*prm%b_sl
@ -721,10 +718,10 @@ module subroutine dislotwin_dotState(Mp,T,ph,me)
- 2.0_pReal*rho_dip_distance_min/prm%b_sl * stt%rho_dip(:,me)*abs(dot_gamma_sl) &
- dot_rho_dip_climb
call kinetics_twin(Mp,T,dot_gamma_sl,phase_plasticityInstance(ph),me,dot_gamma_twin)
call kinetics_twin(Mp,T,dot_gamma_sl,ph,me,dot_gamma_twin)
dot%f_tw(:,me) = f_unrotated*dot_gamma_twin/prm%gamma_char
call kinetics_trans(Mp,T,dot_gamma_sl,phase_plasticityInstance(ph),me,dot_gamma_tr)
call kinetics_trans(Mp,T,dot_gamma_sl,ph,me,dot_gamma_tr)
dot%f_tr(:,me) = f_unrotated*dot_gamma_tr
end associate
@ -735,33 +732,33 @@ end subroutine dislotwin_dotState
!--------------------------------------------------------------------------------------------------
!> @brief Calculate derived quantities from state.
!--------------------------------------------------------------------------------------------------
module subroutine dislotwin_dependentState(T,instance,me)
module subroutine dislotwin_dependentState(T,ph,me)
integer, intent(in) :: &
instance, &
ph, &
me
real(pReal), intent(in) :: &
T
real(pReal) :: &
sumf_twin,Gamma,sumf_trans
real(pReal), dimension(param(instance)%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
inv_lambda_sl_sl, & !< 1/mean free distance between 2 forest dislocations seen by a moving dislocation
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) :: &
real(pReal), dimension(param(ph)%sum_N_tw) :: &
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) :: &
real(pReal), dimension(param(ph)%sum_N_tr) :: &
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),&
stt => state(instance),&
dst => dependentState(instance))
associate(prm => param(ph),&
stt => state(ph),&
dst => dependentState(ph))
sumf_twin = sum(stt%f_tw(1:prm%sum_N_tw,me))
sumf_trans = sum(stt%f_tr(1:prm%sum_N_tr,me))
@ -827,14 +824,14 @@ end subroutine dislotwin_dependentState
!--------------------------------------------------------------------------------------------------
!> @brief Write results to HDF5 output file.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_dislotwin_results(instance,group)
module subroutine plastic_dislotwin_results(ph,group)
integer, intent(in) :: instance
integer, intent(in) :: ph
character(len=*), intent(in) :: group
integer :: o
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
@ -882,7 +879,7 @@ end subroutine plastic_dislotwin_results
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics_slip(Mp,T,instance,me, &
pure subroutine kinetics_slip(Mp,T,ph,me, &
dot_gamma_sl,ddot_gamma_dtau_slip,tau_slip)
real(pReal), dimension(3,3), intent(in) :: &
@ -890,18 +887,18 @@ pure subroutine kinetics_slip(Mp,T,instance,me, &
real(pReal), intent(in) :: &
T !< temperature
integer, intent(in) :: &
instance, &
ph, &
me
real(pReal), dimension(param(instance)%sum_N_sl), intent(out) :: &
real(pReal), dimension(param(ph)%sum_N_sl), intent(out) :: &
dot_gamma_sl
real(pReal), dimension(param(instance)%sum_N_sl), optional, intent(out) :: &
real(pReal), dimension(param(ph)%sum_N_sl), optional, intent(out) :: &
ddot_gamma_dtau_slip, &
tau_slip
real(pReal), dimension(param(instance)%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
ddot_gamma_dtau
real(pReal), dimension(param(instance)%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
tau, &
stressRatio, &
StressRatio_p, &
@ -914,7 +911,7 @@ pure subroutine kinetics_slip(Mp,T,instance,me, &
tau_eff !< effective resolved stress
integer :: i
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
do i = 1, prm%sum_N_sl
tau(i) = math_tensordot(Mp,prm%P_sl(1:3,1:3,i))
@ -959,7 +956,7 @@ end subroutine kinetics_slip
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end.
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,me,&
pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,ph,me,&
dot_gamma_twin,ddot_gamma_dtau_twin)
real(pReal), dimension(3,3), intent(in) :: &
@ -967,17 +964,17 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,me,&
real(pReal), intent(in) :: &
T !< temperature
integer, intent(in) :: &
instance, &
ph, &
me
real(pReal), dimension(param(instance)%sum_N_sl), intent(in) :: &
real(pReal), dimension(param(ph)%sum_N_sl), intent(in) :: &
dot_gamma_sl
real(pReal), dimension(param(instance)%sum_N_tw), intent(out) :: &
real(pReal), dimension(param(ph)%sum_N_tw), intent(out) :: &
dot_gamma_twin
real(pReal), dimension(param(instance)%sum_N_tw), optional, intent(out) :: &
real(pReal), dimension(param(ph)%sum_N_tw), optional, intent(out) :: &
ddot_gamma_dtau_twin
real, dimension(param(instance)%sum_N_tw) :: &
real, dimension(param(ph)%sum_N_tw) :: &
tau, &
Ndot0, &
stressRatio_r, &
@ -985,7 +982,7 @@ pure subroutine kinetics_twin(Mp,T,dot_gamma_sl,instance,me,&
integer :: i,s1,s2
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
do i = 1, prm%sum_N_tw
tau(i) = math_tensordot(Mp,prm%P_tw(1:3,1:3,i))
@ -1028,7 +1025,7 @@ end subroutine kinetics_twin
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end.
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,me,&
pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,ph,me,&
dot_gamma_tr,ddot_gamma_dtau_trans)
real(pReal), dimension(3,3), intent(in) :: &
@ -1036,24 +1033,24 @@ pure subroutine kinetics_trans(Mp,T,dot_gamma_sl,instance,me,&
real(pReal), intent(in) :: &
T !< temperature
integer, intent(in) :: &
instance, &
ph, &
me
real(pReal), dimension(param(instance)%sum_N_sl), intent(in) :: &
real(pReal), dimension(param(ph)%sum_N_sl), intent(in) :: &
dot_gamma_sl
real(pReal), dimension(param(instance)%sum_N_tr), intent(out) :: &
real(pReal), dimension(param(ph)%sum_N_tr), intent(out) :: &
dot_gamma_tr
real(pReal), dimension(param(instance)%sum_N_tr), optional, intent(out) :: &
real(pReal), dimension(param(ph)%sum_N_tr), optional, intent(out) :: &
ddot_gamma_dtau_trans
real, dimension(param(instance)%sum_N_tr) :: &
real, dimension(param(ph)%sum_N_tr) :: &
tau, &
Ndot0, &
stressRatio_s, &
ddot_gamma_dtau
integer :: i,s1,s2
associate(prm => param(instance), stt => state(instance), dst => dependentState(instance))
associate(prm => param(ph), stt => state(ph), dst => dependentState(ph))
do i = 1, prm%sum_N_tr
tau(i) = math_tensordot(Mp,prm%P_tr(1:3,1:3,i))

90
src/phase_mechanics_plastic_isotropic.f90 → src/phase_mechanical_plastic_isotropic.f90
View File

@ -22,8 +22,6 @@ submodule(phase:plastic) isotropic
c_4, &
c_3, &
c_2
integer :: &
of_debug = 0
logical :: &
dilatation
character(len=pStringLen), allocatable, dimension(:) :: &
@ -53,9 +51,7 @@ module function plastic_isotropic_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity
integer :: &
Ninstances, &
p, &
i, &
ph, &
Nconstituents, &
sizeState, sizeDotState
real(pReal) :: &
@ -68,32 +64,29 @@ module function plastic_isotropic_init() result(myPlasticity)
mech, &
pl
print'(/,a)', ' <<<+- phase:mechanics:plastic:isotropic init -+>>>'
myPlasticity = plastic_active('isotropic')
Ninstances = count(myPlasticity)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
if(count(myPlasticity) == 0) return
print'(/,a)', ' <<<+- phase:mechanical:plastic:isotropic init -+>>>'
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
print*, 'Maiti and Eisenlohr, Scripta Materialia 145:37–40, 2018'
print*, 'https://doi.org/10.1016/j.scriptamat.2017.09.047'
allocate(param(Ninstances))
allocate(state(Ninstances))
allocate(dotState(Ninstances))
phases => config_material%get('phase')
i = 0
do p = 1, phases%length
phase => phases%get(p)
mech => phase%get('mechanics')
if(.not. myPlasticity(p)) cycle
i = i + 1
associate(prm => param(i), &
dot => dotState(i), &
stt => state(i))
pl => mech%get('plasticity')
allocate(param(phases%length))
allocate(state(phases%length))
allocate(dotState(phases%length))
do ph = 1, phases%length
if(.not. myPlasticity(ph)) cycle
associate(prm => param(ph), dot => dotState(ph), stt => state(ph))
phase => phases%get(ph)
mech => phase%get('mechanics')
pl => mech%get('plasticity')
#if defined (__GFORTRAN__)
prm%output = output_asStrings(pl)
@ -101,11 +94,6 @@ module function plastic_isotropic_init() result(myPlasticity)
prm%output = pl%get_asStrings('output',defaultVal=emptyStringArray)
#endif
#ifdef DEBUG
if (p==material_phaseAt(debugConstitutive%grain,debugConstitutive%element)) &
prm%of_debug = material_phasememberAt(debugConstitutive%grain,debugConstitutive%ip,debugConstitutive%element)
#endif
xi_0 = pl%get_asFloat('xi_0')
prm%xi_inf = pl%get_asFloat('xi_inf')
prm%dot_gamma_0 = pl%get_asFloat('dot_gamma_0')
@ -131,28 +119,28 @@ module function plastic_isotropic_init() result(myPlasticity)
!--------------------------------------------------------------------------------------------------
! allocate state arrays
Nconstituents = count(material_phaseAt2 == p)
Nconstituents = count(material_phaseAt2 == ph)
sizeDotState = size(['xi ','gamma'])
sizeState = sizeDotState
call constitutive_allocateState(plasticState(p),Nconstituents,sizeState,sizeDotState,0)
call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,0)
!--------------------------------------------------------------------------------------------------
! state aliases and initialization
stt%xi => plasticState(p)%state (1,:)
stt%xi => plasticState(ph)%state (1,:)
stt%xi = xi_0
dot%xi => plasticState(p)%dotState(1,:)
plasticState(p)%atol(1) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
if (plasticState(p)%atol(1) < 0.0_pReal) extmsg = trim(extmsg)//' atol_xi'
dot%xi => plasticState(ph)%dotState(1,:)
plasticState(ph)%atol(1) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
if (plasticState(ph)%atol(1) < 0.0_pReal) extmsg = trim(extmsg)//' atol_xi'
stt%gamma => plasticState(p)%state (2,:)
dot%gamma => plasticState(p)%dotState(2,:)
plasticState(p)%atol(2) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
if (plasticState(p)%atol(2) < 0.0_pReal) extmsg = trim(extmsg)//' atol_gamma'
stt%gamma => plasticState(ph)%state (2,:)
dot%gamma => plasticState(ph)%dotState(2,:)
plasticState(ph)%atol(2) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
if (plasticState(ph)%atol(2) < 0.0_pReal) extmsg = trim(extmsg)//' atol_gamma'
! global alias
plasticState(p)%slipRate => plasticState(p)%dotState(2:2,:)
plasticState(ph)%slipRate => plasticState(ph)%dotState(2:2,:)
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
plasticState(ph)%state0 = plasticState(ph)%state ! ToDo: this could be done centrally
end associate
@ -190,7 +178,7 @@ module subroutine isotropic_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,me)
integer :: &
k, l, m, n
associate(prm => param(phase_plasticityInstance(ph)), stt => state(phase_plasticityInstance(ph)))
associate(prm => param(ph), stt => state(ph))
Mp_dev = math_deviatoric33(Mp)
squarenorm_Mp_dev = math_tensordot(Mp_dev,Mp_dev)
@ -220,7 +208,7 @@ end subroutine isotropic_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief Calculate inelastic velocity gradient and its tangent.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,me)
module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,ph,me)
real(pReal), dimension(3,3), intent(out) :: &
Li !< inleastic velocity gradient
@ -230,7 +218,7 @@ module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,me)
real(pReal), dimension(3,3), intent(in) :: &
Mi !< Mandel stress
integer, intent(in) :: &
instance, &
ph, &
me
real(pReal) :: &
@ -238,17 +226,15 @@ module subroutine plastic_isotropic_LiAndItsTangent(Li,dLi_dMi,Mi,instance,me)
integer :: &
k, l, m, n
associate(prm => param(instance), stt => state(instance))
associate(prm => param(ph), stt => state(ph))
tr=math_trace33(math_spherical33(Mi))
if (prm%dilatation .and. abs(tr) > 0.0_pReal) then ! no stress or J2 plasticity --> Li and its derivative are zero
if (prm%dilatation .and. abs(tr) > 0.0_pReal) then ! no stress or J2 plasticity --> Li and its derivative are zero
Li = math_I3 &
* prm%dot_gamma_0/prm%M * (3.0_pReal*prm%M*stt%xi(me))**(-prm%n) &
* tr * abs(tr)**(prm%n-1.0_pReal)
forall (k=1:3,l=1:3,m=1:3,n=1:3) dLi_dMi(k,l,m,n) = prm%n / tr * Li(k,l) * math_I3(m,n)
else
Li = 0.0_pReal
dLi_dMi = 0.0_pReal
@ -275,8 +261,8 @@ module subroutine isotropic_dotState(Mp,ph,me)
xi_inf_star, & !< saturation xi
norm_Mp !< norm of the (deviatoric) Mandel stress
associate(prm => param(phase_plasticityInstance(ph)), stt => state(phase_plasticityInstance(ph)), &
dot => dotState(phase_plasticityInstance(ph)))
associate(prm => param(ph), stt => state(ph), &
dot => dotState(ph))
if (prm%dilatation) then
norm_Mp = sqrt(math_tensordot(Mp,Mp))
@ -312,14 +298,14 @@ end subroutine isotropic_dotState
!--------------------------------------------------------------------------------------------------
!> @brief Write results to HDF5 output file.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_isotropic_results(instance,group)
module subroutine plastic_isotropic_results(ph,group)
integer, intent(in) :: instance
integer, intent(in) :: ph
character(len=*), intent(in) :: group
integer :: o
associate(prm => param(instance), stt => state(instance))
associate(prm => param(ph), stt => state(ph))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case ('xi')

145
src/phase_mechanics_plastic_kinehardening.f90 → src/phase_mechanical_plastic_kinehardening.f90
View File

@ -25,8 +25,7 @@ submodule(phase:plastic) kinehardening
nonSchmid_pos, &
nonSchmid_neg
integer :: &
sum_N_sl, & !< total number of active slip system
of_debug = 0
sum_N_sl
logical :: &
nonSchmidActive = .false.
character(len=pStringLen), allocatable, dimension(:) :: &
@ -62,8 +61,7 @@ module function plastic_kinehardening_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity
integer :: &
Ninstances, &
p, i, o, &
ph, o, &
Nconstituents, &
sizeState, sizeDeltaState, sizeDotState, &
startIndex, endIndex
@ -80,29 +78,27 @@ module function plastic_kinehardening_init() result(myPlasticity)
mech, &
pl
print'(/,a)', ' <<<+- phase:mechanics:plastic:kinehardening init -+>>>'
myPlasticity = plastic_active('kinehardening')
Ninstances = count(myPlasticity)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
if(count(myPlasticity) == 0) return
print'(/,a)', ' <<<+- phase:mechanical:plastic:kinehardening init -+>>>'
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
allocate(param(Ninstances))
allocate(state(Ninstances))
allocate(dotState(Ninstances))
allocate(deltaState(Ninstances))
phases => config_material%get('phase')
i = 0
do p = 1, phases%length
phase => phases%get(p)
allocate(param(phases%length))
allocate(state(phases%length))
allocate(dotState(phases%length))
allocate(deltaState(phases%length))
do ph = 1, phases%length
if(.not. myPlasticity(ph)) cycle
associate(prm => param(ph), dot => dotState(ph), dlt => deltaState(ph), stt => state(ph))
phase => phases%get(ph)
mech => phase%get('mechanics')
if(.not. myPlasticity(p)) cycle
i = i + 1
associate(prm => param(i), &
dot => dotState(i), &
dlt => deltaState(i), &
stt => state(i))
pl => mech%get('plasticity')
#if defined (__GFORTRAN__)
@ -111,12 +107,6 @@ module function plastic_kinehardening_init() result(myPlasticity)
prm%output = pl%get_asStrings('output',defaultVal=emptyStringArray)
#endif
#ifdef DEBUG
if (p==material_phaseAt(debugConstitutive%grain,debugConstitutive%element)) then
prm%of_debug = material_phasememberAt(debugConstitutive%grain,debugConstitutive%ip,debugConstitutive%element)
endif
#endif
!--------------------------------------------------------------------------------------------------
! slip related parameters
N_sl = pl%get_asInts('N_sl',defaultVal=emptyIntArray)
@ -175,55 +165,55 @@ module function plastic_kinehardening_init() result(myPlasticity)
!--------------------------------------------------------------------------------------------------
! allocate state arrays
Nconstituents = count(material_phaseAt2 == p)
sizeDotState = size(['crss ','crss_back', 'accshear ']) * prm%sum_N_sl!ToDo: adjust names, ask Philip
sizeDeltaState = size(['sense ', 'chi0 ', 'gamma0' ]) * prm%sum_N_sl !ToDo: adjust names
Nconstituents = count(material_phaseAt2 == ph)
sizeDotState = size(['crss ','crss_back', 'accshear ']) * prm%sum_N_sl !ToDo: adjust names like in material.yaml
sizeDeltaState = size(['sense ', 'chi0 ', 'gamma0' ]) * prm%sum_N_sl !ToDo: adjust names like in material.yaml
sizeState = sizeDotState + sizeDeltaState
call constitutive_allocateState(plasticState(p),Nconstituents,sizeState,sizeDotState,sizeDeltaState)
call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,sizeDeltaState)
!--------------------------------------------------------------------------------------------------
! state aliases and initialization
startIndex = 1
endIndex = prm%sum_N_sl
stt%crss => plasticState(p)%state (startIndex:endIndex,:)
stt%crss => plasticState(ph)%state (startIndex:endIndex,:)
stt%crss = spread(xi_0, 2, Nconstituents)
dot%crss => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
dot%crss => plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%crss_back => plasticState(p)%state (startIndex:endIndex,:)
dot%crss_back => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
stt%crss_back => plasticState(ph)%state (startIndex:endIndex,:)
dot%crss_back => plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%accshear => plasticState(p)%state (startIndex:endIndex,:)
dot%accshear => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
stt%accshear => plasticState(ph)%state (startIndex:endIndex,:)
dot%accshear => plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
! global alias
plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(ph)%slipRate => plasticState(ph)%dotState(startIndex:endIndex,:)
o = plasticState(p)%offsetDeltaState
o = plasticState(ph)%offsetDeltaState
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%sense => plasticState(p)%state (startIndex :endIndex ,:)
dlt%sense => plasticState(p)%deltaState(startIndex-o:endIndex-o,:)
stt%sense => plasticState(ph)%state (startIndex :endIndex ,:)
dlt%sense => plasticState(ph)%deltaState(startIndex-o:endIndex-o,:)
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%chi0 => plasticState(p)%state (startIndex :endIndex ,:)
dlt%chi0 => plasticState(p)%deltaState(startIndex-o:endIndex-o,:)
stt%chi0 => plasticState(ph)%state (startIndex :endIndex ,:)
dlt%chi0 => plasticState(ph)%deltaState(startIndex-o:endIndex-o,:)
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%gamma0 => plasticState(p)%state (startIndex :endIndex ,:)
dlt%gamma0 => plasticState(p)%deltaState(startIndex-o:endIndex-o,:)
stt%gamma0 => plasticState(ph)%state (startIndex :endIndex ,:)
dlt%gamma0 => plasticState(ph)%deltaState(startIndex-o:endIndex-o,:)
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
plasticState(ph)%state0 = plasticState(ph)%state ! ToDo: this could be done centrally
end associate
@ -255,16 +245,16 @@ pure module subroutine kinehardening_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,me)
integer :: &
i,k,l,m,n
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
gdot_pos,gdot_neg, &
dgdot_dtau_pos,dgdot_dtau_neg
Lp = 0.0_pReal
dLp_dMp = 0.0_pReal
associate(prm => param(phase_plasticityInstance(ph)))
associate(prm => param(ph))
call kinetics(Mp,phase_plasticityInstance(ph),me,gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg)
call kinetics(Mp,ph,me,gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg)
do i = 1, prm%sum_N_sl
Lp = Lp + (gdot_pos(i)+gdot_neg(i))*prm%P(1:3,1:3,i)
@ -292,14 +282,14 @@ module subroutine plastic_kinehardening_dotState(Mp,ph,me)
real(pReal) :: &
sumGamma
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
gdot_pos,gdot_neg
associate(prm => param(phase_plasticityInstance(ph)), stt => state(phase_plasticityInstance(ph)),&
dot => dotState(phase_plasticityInstance(ph)))
associate(prm => param(ph), stt => state(ph),&
dot => dotState(ph))
call kinetics(Mp,phase_plasticityInstance(ph),me,gdot_pos,gdot_neg)
call kinetics(Mp,ph,me,gdot_pos,gdot_neg)
dot%accshear(:,me) = abs(gdot_pos+gdot_neg)
sumGamma = sum(stt%accshear(:,me))
@ -325,32 +315,25 @@ end subroutine plastic_kinehardening_dotState
!--------------------------------------------------------------------------------------------------
!> @brief Calculate (instantaneous) incremental change of microstructure.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_kinehardening_deltaState(Mp,instance,me)
module subroutine plastic_kinehardening_deltaState(Mp,ph,me)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
ph, &
me
real(pReal), dimension(param(instance)%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
gdot_pos,gdot_neg, &
sense
associate(prm => param(instance), stt => state(instance), dlt => deltaState(instance))
associate(prm => param(ph), stt => state(ph), dlt => deltaState(ph))
call kinetics(Mp,instance,me,gdot_pos,gdot_neg)
sense = merge(state(instance)%sense(:,me), & ! keep existing...
call kinetics(Mp,ph,me,gdot_pos,gdot_neg)
sense = merge(state(ph)%sense(:,me), & ! keep existing...
sign(1.0_pReal,gdot_pos+gdot_neg), & ! ...or have a defined
dEq0(gdot_pos+gdot_neg,1e-10_pReal)) ! current sense of shear direction
#ifdef DEBUG
if (debugConstitutive%extensive &
.and. (me == prm%of_debug .or. .not. debugConstitutive%selective)) then
print*, '======= kinehardening delta state ======='
print*, sense,state(instance)%sense(:,me)
endif
#endif
!--------------------------------------------------------------------------------------------------
! switch in sense me shear?
@ -372,14 +355,14 @@ end subroutine plastic_kinehardening_deltaState
!--------------------------------------------------------------------------------------------------
!> @brief Write results to HDF5 output file.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_kinehardening_results(instance,group)
module subroutine plastic_kinehardening_results(ph,group)
integer, intent(in) :: instance
integer, intent(in) :: ph
character(len=*), intent(in) :: group
integer :: o
associate(prm => param(instance), stt => state(instance))
associate(prm => param(ph), stt => state(ph))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case('xi')
@ -414,28 +397,28 @@ end subroutine plastic_kinehardening_results
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end.
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics(Mp,instance,me, &
pure subroutine kinetics(Mp,ph,me, &
gdot_pos,gdot_neg,dgdot_dtau_pos,dgdot_dtau_neg)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
ph, &
me
real(pReal), intent(out), dimension(param(instance)%sum_N_sl) :: &
real(pReal), intent(out), dimension(param(ph)%sum_N_sl) :: &
gdot_pos, &
gdot_neg
real(pReal), intent(out), optional, dimension(param(instance)%sum_N_sl) :: &
real(pReal), intent(out), optional, dimension(param(ph)%sum_N_sl) :: &
dgdot_dtau_pos, &
dgdot_dtau_neg
real(pReal), dimension(param(instance)%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
tau_pos, &
tau_neg
integer :: i
associate(prm => param(instance), stt => state(instance))
associate(prm => param(ph), stt => state(ph))
do i = 1, prm%sum_N_sl
tau_pos(i) = math_tensordot(Mp,prm%nonSchmid_pos(1:3,1:3,i)) - stt%crss_back(i,me)

36
src/phase_mechanics_plastic_none.f90 → src/phase_mechanical_plastic_none.f90
View File

@ -16,35 +16,21 @@ module function plastic_none_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity
integer :: &
Ninstances, &
p, &
Nconstituents
ph
class(tNode), pointer :: &
phases, &
phase, &
mech, &
pl
phases
print'(/,a)', ' <<<+- phase:mechanics:plastic:none init -+>>>'
myPlasticity = plastic_active('none')
if(count(myPlasticity) == 0) return
print'(/,a)', ' <<<+- phase:mechanical:plastic:none init -+>>>'
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
phases => config_material%get('phase')
allocate(myPlasticity(phases%length), source = .false.)
do p = 1, phases%length
phase => phases%get(p)
mech => phase%get('mechanics')
pl => mech%get ('plasticity')
if(pl%get_asString('type') == 'none') myPlasticity(p) = .true.
enddo
Ninstances = count(myPlasticity)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
do p = 1, phases%length
phase => phases%get(p)
if(.not. myPlasticity(p)) cycle
Nconstituents = count(material_phaseAt2 == p)
call constitutive_allocateState(plasticState(p),Nconstituents,0,0,0)
do ph = 1, phases%length
if(.not. myPlasticity(ph)) cycle
call phase_allocateState(plasticState(ph),count(material_phaseAt2 == ph),0,0,0)
enddo
end function plastic_none_init

505
src/phase_mechanics_plastic_nonlocal.f90 → src/phase_mechanical_plastic_nonlocal.f90
View File

@ -13,6 +13,12 @@ submodule(phase:plastic) nonlocal
IPareaNormal => geometry_plastic_nonlocal_IPareaNormal0, &
geometry_plastic_nonlocal_disable
type :: tGeometry
real(pReal), dimension(:), allocatable :: V_0
end type tGeometry
type(tGeometry), dimension(:), allocatable :: geom
real(pReal), parameter :: &
kB = 1.38e-23_pReal !< Boltzmann constant in J/Kelvin
@ -154,7 +160,7 @@ submodule(phase:plastic) nonlocal
state, &
state0
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstances)
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters
type(tNonlocalMicrostructure), dimension(:), allocatable :: microstructure
@ -170,7 +176,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity
integer :: &
Ninstances, &
p, i, &
ph, &
Nconstituents, &
sizeState, sizeDotState, sizeDependentState, sizeDeltaState, &
s1, s2, &
@ -187,45 +193,44 @@ module function plastic_nonlocal_init() result(myPlasticity)
mech, &
pl
print'(/,a)', ' <<<+- phase:mechanics:plastic:nonlocal init -+>>>'
myPlasticity = plastic_active('nonlocal')
Ninstances = count(myPlasticity)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) then
call geometry_plastic_nonlocal_disable
return
endif
print'(/,a)', ' <<<+- phase:mechanical:plastic:nonlocal init -+>>>'
print'(a,i0)', ' # phases: ',Ninstances; flush(IO_STDOUT)
print*, 'Reuber et al., Acta Materialia 71:333–348, 2014'
print*, 'https://doi.org/10.1016/j.actamat.2014.03.012'//IO_EOL
print*, 'Kords, Dissertation RWTH Aachen, 2014'
print*, 'http://publications.rwth-aachen.de/record/229993'
allocate(param(Ninstances))
allocate(state(Ninstances))
allocate(state0(Ninstances))
allocate(dotState(Ninstances))
allocate(deltaState(Ninstances))
allocate(microstructure(Ninstances))
phases => config_material%get('phase')
i = 0
do p = 1, phases%length
phase => phases%get(p)
allocate(geom(phases%length))
allocate(param(phases%length))
allocate(state(phases%length))
allocate(state0(phases%length))
allocate(dotState(phases%length))
allocate(deltaState(phases%length))
allocate(microstructure(phases%length))
do ph = 1, phases%length
if(.not. myPlasticity(ph)) cycle
associate(prm => param(ph), dot => dotState(ph), stt => state(ph), &
st0 => state0(ph), del => deltaState(ph), dst => microstructure(ph))
phase => phases%get(ph)
mech => phase%get('mechanics')
if(.not. myPlasticity(p)) cycle
i = i + 1
associate(prm => param(i), &
dot => dotState(i), &
stt => state(i), &
st0 => state0(i), &
del => deltaState(i), &
dst => microstructure(i))
pl => mech%get('plasticity')
phase_localPlasticity(p) = .not. pl%contains('nonlocal')
phase_localPlasticity(ph) = .not. pl%contains('nonlocal')
#if defined (__GFORTRAN__)
prm%output = output_asStrings(pl)
@ -236,8 +241,8 @@ module function plastic_nonlocal_init() result(myPlasticity)
prm%atol_rho = pl%get_asFloat('atol_rho',defaultVal=1.0e4_pReal)
! This data is read in already in lattice
prm%mu = lattice_mu(p)
prm%nu = lattice_nu(p)
prm%mu = lattice_mu(ph)
prm%nu = lattice_nu(ph)
ini%N_sl = pl%get_asInts('N_sl',defaultVal=emptyIntArray)
prm%sum_N_sl = sum(abs(ini%N_sl))
@ -393,7 +398,7 @@ module function plastic_nonlocal_init() result(myPlasticity)
!--------------------------------------------------------------------------------------------------
! allocate state arrays
Nconstituents = count(material_phaseAt2 == p)
Nconstituents = count(material_phaseAt2 == ph)
sizeDotState = size([ 'rhoSglEdgePosMobile ','rhoSglEdgeNegMobile ', &
'rhoSglScrewPosMobile ','rhoSglScrewNegMobile ', &
'rhoSglEdgePosImmobile ','rhoSglEdgeNegImmobile ', &
@ -407,98 +412,101 @@ module function plastic_nonlocal_init() result(myPlasticity)
'maxDipoleHeightEdge ','maxDipoleHeightScrew' ]) * prm%sum_N_sl !< other dependent state variables that are not updated by microstructure
sizeDeltaState = sizeDotState
call constitutive_allocateState(plasticState(p),Nconstituents,sizeState,sizeDotState,sizeDeltaState)
call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,sizeDeltaState)
plasticState(p)%nonlocal = pl%get_asBool('nonlocal')
if(plasticState(p)%nonlocal .and. .not. allocated(IPneighborhood)) &
allocate(geom(ph)%V_0(Nconstituents))
call storeGeometry(ph)
plasticState(ph)%nonlocal = pl%get_asBool('nonlocal')
if(plasticState(ph)%nonlocal .and. .not. allocated(IPneighborhood)) &
call IO_error(212,ext_msg='IPneighborhood does not exist')
plasticState(p)%offsetDeltaState = 0 ! ToDo: state structure does not follow convention
plasticState(ph)%offsetDeltaState = 0 ! ToDo: state structure does not follow convention
st0%rho => plasticState(p)%state0 (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
stt%rho => plasticState(p)%state (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
dot%rho => plasticState(p)%dotState (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
del%rho => plasticState(p)%deltaState (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
plasticState(p)%atol(1:10*prm%sum_N_sl) = prm%atol_rho
st0%rho => plasticState(ph)%state0 (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
stt%rho => plasticState(ph)%state (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
dot%rho => plasticState(ph)%dotState (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
del%rho => plasticState(ph)%deltaState (0*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
plasticState(ph)%atol(1:10*prm%sum_N_sl) = prm%atol_rho
stt%rhoSgl => plasticState(p)%state (0*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
dot%rhoSgl => plasticState(p)%dotState (0*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
del%rhoSgl => plasticState(p)%deltaState (0*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
stt%rhoSgl => plasticState(ph)%state (0*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
dot%rhoSgl => plasticState(ph)%dotState (0*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
del%rhoSgl => plasticState(ph)%deltaState (0*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
stt%rhoSglMobile => plasticState(p)%state (0*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
dot%rhoSglMobile => plasticState(p)%dotState (0*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
del%rhoSglMobile => plasticState(p)%deltaState (0*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
stt%rhoSglMobile => plasticState(ph)%state (0*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
dot%rhoSglMobile => plasticState(ph)%dotState (0*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
del%rhoSglMobile => plasticState(ph)%deltaState (0*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
stt%rho_sgl_mob_edg_pos => plasticState(p)%state (0*prm%sum_N_sl+1: 1*prm%sum_N_sl,:)
dot%rho_sgl_mob_edg_pos => plasticState(p)%dotState (0*prm%sum_N_sl+1: 1*prm%sum_N_sl,:)
del%rho_sgl_mob_edg_pos => plasticState(p)%deltaState (0*prm%sum_N_sl+1: 1*prm%sum_N_sl,:)
stt%rho_sgl_mob_edg_pos => plasticState(ph)%state (0*prm%sum_N_sl+1: 1*prm%sum_N_sl,:)
dot%rho_sgl_mob_edg_pos => plasticState(ph)%dotState (0*prm%sum_N_sl+1: 1*prm%sum_N_sl,:)
del%rho_sgl_mob_edg_pos => plasticState(ph)%deltaState (0*prm%sum_N_sl+1: 1*prm%sum_N_sl,:)
stt%rho_sgl_mob_edg_neg => plasticState(p)%state (1*prm%sum_N_sl+1: 2*prm%sum_N_sl,:)
dot%rho_sgl_mob_edg_neg => plasticState(p)%dotState (1*prm%sum_N_sl+1: 2*prm%sum_N_sl,:)
del%rho_sgl_mob_edg_neg => plasticState(p)%deltaState (1*prm%sum_N_sl+1: 2*prm%sum_N_sl,:)
stt%rho_sgl_mob_edg_neg => plasticState(ph)%state (1*prm%sum_N_sl+1: 2*prm%sum_N_sl,:)
dot%rho_sgl_mob_edg_neg => plasticState(ph)%dotState (1*prm%sum_N_sl+1: 2*prm%sum_N_sl,:)
del%rho_sgl_mob_edg_neg => plasticState(ph)%deltaState (1*prm%sum_N_sl+1: 2*prm%sum_N_sl,:)
stt%rho_sgl_mob_scr_pos => plasticState(p)%state (2*prm%sum_N_sl+1: 3*prm%sum_N_sl,:)
dot%rho_sgl_mob_scr_pos => plasticState(p)%dotState (2*prm%sum_N_sl+1: 3*prm%sum_N_sl,:)
del%rho_sgl_mob_scr_pos => plasticState(p)%deltaState (2*prm%sum_N_sl+1: 3*prm%sum_N_sl,:)
stt%rho_sgl_mob_scr_pos => plasticState(ph)%state (2*prm%sum_N_sl+1: 3*prm%sum_N_sl,:)
dot%rho_sgl_mob_scr_pos => plasticState(ph)%dotState (2*prm%sum_N_sl+1: 3*prm%sum_N_sl,:)
del%rho_sgl_mob_scr_pos => plasticState(ph)%deltaState (2*prm%sum_N_sl+1: 3*prm%sum_N_sl,:)
stt%rho_sgl_mob_scr_neg => plasticState(p)%state (3*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
dot%rho_sgl_mob_scr_neg => plasticState(p)%dotState (3*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
del%rho_sgl_mob_scr_neg => plasticState(p)%deltaState (3*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
stt%rho_sgl_mob_scr_neg => plasticState(ph)%state (3*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
dot%rho_sgl_mob_scr_neg => plasticState(ph)%dotState (3*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
del%rho_sgl_mob_scr_neg => plasticState(ph)%deltaState (3*prm%sum_N_sl+1: 4*prm%sum_N_sl,:)
stt%rhoSglImmobile => plasticState(p)%state (4*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
dot%rhoSglImmobile => plasticState(p)%dotState (4*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
del%rhoSglImmobile => plasticState(p)%deltaState (4*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
stt%rhoSglImmobile => plasticState(ph)%state (4*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
dot%rhoSglImmobile => plasticState(ph)%dotState (4*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
del%rhoSglImmobile => plasticState(ph)%deltaState (4*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
stt%rho_sgl_imm_edg_pos => plasticState(p)%state (4*prm%sum_N_sl+1: 5*prm%sum_N_sl,:)
dot%rho_sgl_imm_edg_pos => plasticState(p)%dotState (4*prm%sum_N_sl+1: 5*prm%sum_N_sl,:)
del%rho_sgl_imm_edg_pos => plasticState(p)%deltaState (4*prm%sum_N_sl+1: 5*prm%sum_N_sl,:)
stt%rho_sgl_imm_edg_pos => plasticState(ph)%state (4*prm%sum_N_sl+1: 5*prm%sum_N_sl,:)
dot%rho_sgl_imm_edg_pos => plasticState(ph)%dotState (4*prm%sum_N_sl+1: 5*prm%sum_N_sl,:)
del%rho_sgl_imm_edg_pos => plasticState(ph)%deltaState (4*prm%sum_N_sl+1: 5*prm%sum_N_sl,:)
stt%rho_sgl_imm_edg_neg => plasticState(p)%state (5*prm%sum_N_sl+1: 6*prm%sum_N_sl,:)
dot%rho_sgl_imm_edg_neg => plasticState(p)%dotState (5*prm%sum_N_sl+1: 6*prm%sum_N_sl,:)
del%rho_sgl_imm_edg_neg => plasticState(p)%deltaState (5*prm%sum_N_sl+1: 6*prm%sum_N_sl,:)
stt%rho_sgl_imm_edg_neg => plasticState(ph)%state (5*prm%sum_N_sl+1: 6*prm%sum_N_sl,:)
dot%rho_sgl_imm_edg_neg => plasticState(ph)%dotState (5*prm%sum_N_sl+1: 6*prm%sum_N_sl,:)
del%rho_sgl_imm_edg_neg => plasticState(ph)%deltaState (5*prm%sum_N_sl+1: 6*prm%sum_N_sl,:)
stt%rho_sgl_imm_scr_pos => plasticState(p)%state (6*prm%sum_N_sl+1: 7*prm%sum_N_sl,:)
dot%rho_sgl_imm_scr_pos => plasticState(p)%dotState (6*prm%sum_N_sl+1: 7*prm%sum_N_sl,:)
del%rho_sgl_imm_scr_pos => plasticState(p)%deltaState (6*prm%sum_N_sl+1: 7*prm%sum_N_sl,:)
stt%rho_sgl_imm_scr_pos => plasticState(ph)%state (6*prm%sum_N_sl+1: 7*prm%sum_N_sl,:)
dot%rho_sgl_imm_scr_pos => plasticState(ph)%dotState (6*prm%sum_N_sl+1: 7*prm%sum_N_sl,:)
del%rho_sgl_imm_scr_pos => plasticState(ph)%deltaState (6*prm%sum_N_sl+1: 7*prm%sum_N_sl,:)
stt%rho_sgl_imm_scr_neg => plasticState(p)%state (7*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
dot%rho_sgl_imm_scr_neg => plasticState(p)%dotState (7*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
del%rho_sgl_imm_scr_neg => plasticState(p)%deltaState (7*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
stt%rho_sgl_imm_scr_neg => plasticState(ph)%state (7*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
dot%rho_sgl_imm_scr_neg => plasticState(ph)%dotState (7*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
del%rho_sgl_imm_scr_neg => plasticState(ph)%deltaState (7*prm%sum_N_sl+1: 8*prm%sum_N_sl,:)
stt%rhoDip => plasticState(p)%state (8*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
dot%rhoDip => plasticState(p)%dotState (8*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
del%rhoDip => plasticState(p)%deltaState (8*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
stt%rhoDip => plasticState(ph)%state (8*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
dot%rhoDip => plasticState(ph)%dotState (8*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
del%rhoDip => plasticState(ph)%deltaState (8*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
stt%rho_dip_edg => plasticState(p)%state (8*prm%sum_N_sl+1: 9*prm%sum_N_sl,:)
dot%rho_dip_edg => plasticState(p)%dotState (8*prm%sum_N_sl+1: 9*prm%sum_N_sl,:)
del%rho_dip_edg => plasticState(p)%deltaState (8*prm%sum_N_sl+1: 9*prm%sum_N_sl,:)
stt%rho_dip_edg => plasticState(ph)%state (8*prm%sum_N_sl+1: 9*prm%sum_N_sl,:)
dot%rho_dip_edg => plasticState(ph)%dotState (8*prm%sum_N_sl+1: 9*prm%sum_N_sl,:)
del%rho_dip_edg => plasticState(ph)%deltaState (8*prm%sum_N_sl+1: 9*prm%sum_N_sl,:)
stt%rho_dip_scr => plasticState(p)%state (9*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
dot%rho_dip_scr => plasticState(p)%dotState (9*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
del%rho_dip_scr => plasticState(p)%deltaState (9*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
stt%rho_dip_scr => plasticState(ph)%state (9*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
dot%rho_dip_scr => plasticState(ph)%dotState (9*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
del%rho_dip_scr => plasticState(ph)%deltaState (9*prm%sum_N_sl+1:10*prm%sum_N_sl,:)
stt%gamma => plasticState(p)%state (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
dot%gamma => plasticState(p)%dotState (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
del%gamma => plasticState(p)%deltaState (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
plasticState(p)%atol(10*prm%sum_N_sl+1:11*prm%sum_N_sl ) = pl%get_asFloat('atol_gamma', defaultVal = 1.0e-2_pReal)
if(any(plasticState(p)%atol(10*prm%sum_N_sl+1:11*prm%sum_N_sl) < 0.0_pReal)) &
stt%gamma => plasticState(ph)%state (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
dot%gamma => plasticState(ph)%dotState (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
del%gamma => plasticState(ph)%deltaState (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
plasticState(ph)%atol(10*prm%sum_N_sl+1:11*prm%sum_N_sl ) = pl%get_asFloat('atol_gamma', defaultVal = 1.0e-2_pReal)
if(any(plasticState(ph)%atol(10*prm%sum_N_sl+1:11*prm%sum_N_sl) < 0.0_pReal)) &
extmsg = trim(extmsg)//' atol_gamma'
plasticState(p)%slipRate => plasticState(p)%dotState (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
plasticState(ph)%slipRate => plasticState(ph)%dotState (10*prm%sum_N_sl + 1:11*prm%sum_N_sl,1:Nconstituents)
stt%rho_forest => plasticState(p)%state (11*prm%sum_N_sl + 1:12*prm%sum_N_sl,1:Nconstituents)
stt%v => plasticState(p)%state (12*prm%sum_N_sl + 1:16*prm%sum_N_sl,1:Nconstituents)
stt%v_edg_pos => plasticState(p)%state (12*prm%sum_N_sl + 1:13*prm%sum_N_sl,1:Nconstituents)
stt%v_edg_neg => plasticState(p)%state (13*prm%sum_N_sl + 1:14*prm%sum_N_sl,1:Nconstituents)
stt%v_scr_pos => plasticState(p)%state (14*prm%sum_N_sl + 1:15*prm%sum_N_sl,1:Nconstituents)
stt%v_scr_neg => plasticState(p)%state (15*prm%sum_N_sl + 1:16*prm%sum_N_sl,1:Nconstituents)
stt%rho_forest => plasticState(ph)%state (11*prm%sum_N_sl + 1:12*prm%sum_N_sl,1:Nconstituents)
stt%v => plasticState(ph)%state (12*prm%sum_N_sl + 1:16*prm%sum_N_sl,1:Nconstituents)
stt%v_edg_pos => plasticState(ph)%state (12*prm%sum_N_sl + 1:13*prm%sum_N_sl,1:Nconstituents)
stt%v_edg_neg => plasticState(ph)%state (13*prm%sum_N_sl + 1:14*prm%sum_N_sl,1:Nconstituents)
stt%v_scr_pos => plasticState(ph)%state (14*prm%sum_N_sl + 1:15*prm%sum_N_sl,1:Nconstituents)
stt%v_scr_neg => plasticState(ph)%state (15*prm%sum_N_sl + 1:16*prm%sum_N_sl,1:Nconstituents)
allocate(dst%tau_pass(prm%sum_N_sl,Nconstituents),source=0.0_pReal)
allocate(dst%tau_back(prm%sum_N_sl,Nconstituents),source=0.0_pReal)
end associate
if (Nconstituents > 0) call stateInit(ini,p,Nconstituents,i)
plasticState(p)%state0 = plasticState(p)%state
if (Nconstituents > 0) call stateInit(ini,ph,Nconstituents)
plasticState(ph)%state0 = plasticState(ph)%state
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
@ -510,40 +518,38 @@ module function plastic_nonlocal_init() result(myPlasticity)
discretization_nIPs,discretization_Nelems), source=0.0_pReal)
! BEGIN DEPRECATED----------------------------------------------------------------------------------
allocate(iRhoU(maxval(param%sum_N_sl),4,Ninstances), source=0)
allocate(iV(maxval(param%sum_N_sl),4,Ninstances), source=0)
allocate(iD(maxval(param%sum_N_sl),2,Ninstances), source=0)
allocate(iRhoU(maxval(param%sum_N_sl),4,phases%length), source=0)
allocate(iV(maxval(param%sum_N_sl),4,phases%length), source=0)
allocate(iD(maxval(param%sum_N_sl),2,phases%length), source=0)
i = 0
do p = 1, phases%length
phase => phases%get(p)
do ph = 1, phases%length
if(.not. myPlasticity(p)) cycle
i = i + 1
if(.not. myPlasticity(ph)) cycle
Nconstituents = count(material_phaseAt==p) * discretization_nIPs
phase => phases%get(ph)
Nconstituents = count(material_phaseAt2 == ph)
l = 0
do t = 1,4
do s = 1,param(i)%sum_N_sl
do s = 1,param(ph)%sum_N_sl
l = l + 1
iRhoU(s,t,i) = l
iRhoU(s,t,ph) = l
enddo
enddo
l = l + (4+2+1+1)*param(i)%sum_N_sl ! immobile(4), dipole(2), shear, forest
l = l + (4+2+1+1)*param(ph)%sum_N_sl ! immobile(4), dipole(2), shear, forest
do t = 1,4
do s = 1,param(i)%sum_N_sl
do s = 1,param(ph)%sum_N_sl
l = l + 1
iV(s,t,i) = l
iV(s,t,ph) = l
enddo
enddo
do t = 1,2
do s = 1,param(i)%sum_N_sl
do s = 1,param(ph)%sum_N_sl
l = l + 1
iD(s,t,i) = l
iD(s,t,ph) = l
enddo
enddo
if (iD(param(i)%sum_N_sl,2,i) /= plasticState(p)%sizeState) &
call IO_error(0, ext_msg = 'state indices not properly set (nonlocal)')
if (iD(param(ph)%sum_N_sl,2,ph) /= plasticState(ph)%sizeState) &
error stop 'state indices not properly set (nonlocal)'
enddo
end function plastic_nonlocal_init
@ -552,20 +558,18 @@ end function plastic_nonlocal_init
!--------------------------------------------------------------------------------------------------
!> @brief calculates quantities characterizing the microstructure
!--------------------------------------------------------------------------------------------------
module subroutine nonlocal_dependentState(instance, me, ip, el)
module subroutine nonlocal_dependentState(ph, me, ip, el)
integer, intent(in) :: &
instance, &
ph, &
me, &
ip, &
el
integer :: &
ph, &
no, & !< neighbor offset
neighbor_el, & ! element number of neighboring material point
neighbor_ip, & ! integration point of neighboring material point
neighbor_instance, & ! instance of this plasticity of neighboring material point
c, & ! index of dilsocation character (edge, screw)
s, & ! slip system index
dir, &
@ -589,29 +593,29 @@ module subroutine nonlocal_dependentState(instance, me, ip, el)
invConnections
real(pReal), dimension(3,nIPneighbors) :: &
connection_latticeConf
real(pReal), dimension(2,param(instance)%sum_N_sl) :: &
real(pReal), dimension(2,param(ph)%sum_N_sl) :: &
rhoExcess
real(pReal), dimension(param(instance)%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
rho_edg_delta, &
rho_scr_delta
real(pReal), dimension(param(instance)%sum_N_sl,10) :: &
real(pReal), dimension(param(ph)%sum_N_sl,10) :: &
rho, &
rho0, &
rho_neighbor0
real(pReal), dimension(param(instance)%sum_N_sl,param(instance)%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl,param(ph)%sum_N_sl) :: &
myInteractionMatrix ! corrected slip interaction matrix
real(pReal), dimension(param(instance)%sum_N_sl,nIPneighbors) :: &
real(pReal), dimension(param(ph)%sum_N_sl,nIPneighbors) :: &
rho_edg_delta_neighbor, &
rho_scr_delta_neighbor
real(pReal), dimension(2,maxval(param%sum_N_sl),nIPneighbors) :: &
neighbor_rhoExcess, & ! excess density at neighboring material point
neighbor_rhoTotal ! total density at neighboring material point
real(pReal), dimension(3,param(instance)%sum_N_sl,2) :: &
real(pReal), dimension(3,param(ph)%sum_N_sl,2) :: &
m ! direction of dislocation motion
associate(prm => param(instance),dst => microstructure(instance), stt => state(instance))
associate(prm => param(ph),dst => microstructure(ph), stt => state(ph))
rho = getRho(instance,me,ip,el)
rho = getRho(ph,me)
stt%rho_forest(:,me) = matmul(prm%forestProjection_Edge, sum(abs(rho(:,edg)),2)) &
+ matmul(prm%forestProjection_Screw,sum(abs(rho(:,scr)),2))
@ -639,11 +643,10 @@ module subroutine nonlocal_dependentState(instance, me, ip, el)
! ToDo: MD: this is most likely only correct for F_i = I
!#################################################################################################
rho0 = getRho0(instance,me,ip,el)
rho0 = getRho0(ph,me)
if (.not. phase_localPlasticity(material_phaseAt(1,el)) .and. prm%shortRangeStressCorrection) then
ph = material_phaseAt(1,el)
invFp = math_inv33(constitutive_mech_Fp(ph)%data(1:3,1:3,me))
invFe = math_inv33(constitutive_mech_Fe(ph)%data(1:3,1:3,me))
invFp = math_inv33(phase_mechanical_Fp(ph)%data(1:3,1:3,me))
invFe = math_inv33(phase_mechanical_Fe(ph)%data(1:3,1:3,me))
rho_edg_delta = rho0(:,mob_edg_pos) - rho0(:,mob_edg_neg)
rho_scr_delta = rho0(:,mob_scr_pos) - rho0(:,mob_scr_neg)
@ -651,7 +654,7 @@ module subroutine nonlocal_dependentState(instance, me, ip, el)
rhoExcess(1,:) = rho_edg_delta
rhoExcess(2,:) = rho_scr_delta
FVsize = IPvolume(ip,el) ** (1.0_pReal/3.0_pReal)
FVsize = geom(ph)%V_0(me) ** (1.0_pReal/3.0_pReal)
!* loop through my neighborhood and get the connection vectors (in lattice frame) and the excess densities
@ -662,11 +665,10 @@ module subroutine nonlocal_dependentState(instance, me, ip, el)
neighbor_ip = IPneighborhood(2,n,ip,el)
no = material_phasememberAt(1,neighbor_ip,neighbor_el)
if (neighbor_el > 0 .and. neighbor_ip > 0) then
neighbor_instance = phase_plasticityInstance(material_phaseAt(1,neighbor_el))
if (neighbor_instance == instance) then
if (material_phaseAt(1,neighbor_el) == ph) then
nRealNeighbors = nRealNeighbors + 1.0_pReal
rho_neighbor0 = getRho0(instance,no,neighbor_ip,neighbor_el)
rho_neighbor0 = getRho0(ph,no)
rho_edg_delta_neighbor(:,n) = rho_neighbor0(:,mob_edg_pos) - rho_neighbor0(:,mob_edg_neg)
rho_scr_delta_neighbor(:,n) = rho_neighbor0(:,mob_scr_pos) - rho_neighbor0(:,mob_scr_neg)
@ -758,16 +760,14 @@ end subroutine nonlocal_dependentState
!> @brief calculates plastic velocity gradient and its tangent
!--------------------------------------------------------------------------------------------------
module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
Mp,Temperature,ph,me,ip,el)
Mp,Temperature,ph,me)
real(pReal), dimension(3,3), intent(out) :: &
Lp !< plastic velocity gradient
real(pReal), dimension(3,3,3,3), intent(out) :: &
dLp_dMp
integer, intent(in) :: &
ph, &
me, &
ip, & !< current integration point
el !< current element number
me
real(pReal), intent(in) :: &
Temperature !< temperature
@ -782,25 +782,25 @@ module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
l, &
t, & !< dislocation type
s !< index of my current slip system
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl,8) :: &
real(pReal), dimension(param(ph)%sum_N_sl,8) :: &
rhoSgl !< single dislocation densities (including blocked)
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl,10) :: &
real(pReal), dimension(param(ph)%sum_N_sl,10) :: &
rho
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl,4) :: &
real(pReal), dimension(param(ph)%sum_N_sl,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(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
tau, & !< resolved shear stress including backstress terms
gdotTotal !< shear rate
associate(prm => param(phase_plasticityInstance(ph)),dst=>microstructure(phase_plasticityInstance(ph)),&
stt=>state(phase_plasticityInstance(ph)))
associate(prm => param(ph),dst=>microstructure(ph),&
stt=>state(ph))
ns = prm%sum_N_sl
!*** shortcut to state variables
rho = getRho(phase_plasticityInstance(ph),me,ip,el)
rho = getRho(ph,me)
rhoSgl = rho(:,sgl)
do s = 1,ns
@ -820,7 +820,7 @@ module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
! edges
call kinetics(v(:,1), dv_dtau(:,1), dv_dtauNS(:,1), &
tau, tauNS(:,1), dst%tau_pass(:,me),1,Temperature, phase_plasticityInstance(ph))
tau, tauNS(:,1), dst%tau_pass(:,me),1,Temperature, ph)
v(:,2) = v(:,1)
dv_dtau(:,2) = dv_dtau(:,1)
dv_dtauNS(:,2) = dv_dtauNS(:,1)
@ -833,7 +833,7 @@ module subroutine nonlocal_LpAndItsTangent(Lp,dLp_dMp, &
else
do t = 3,4
call kinetics(v(:,t), dv_dtau(:,t), dv_dtauNS(:,t), &
tau, tauNS(:,t), dst%tau_pass(:,me),2,Temperature, phase_plasticityInstance(ph))
tau, tauNS(:,t), dst%tau_pass(:,me),2,Temperature, ph)
enddo
endif
@ -866,47 +866,42 @@ end subroutine nonlocal_LpAndItsTangent
!--------------------------------------------------------------------------------------------------
!> @brief (instantaneous) incremental change of microstructure
!--------------------------------------------------------------------------------------------------
module subroutine plastic_nonlocal_deltaState(Mp,instance,me,ip,el)
module subroutine plastic_nonlocal_deltaState(Mp,ph,me)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< MandelStress
integer, intent(in) :: &
instance, & ! current instance of this plasticity
me, & !< offset
ip, &
el
ph, &
me
integer :: &
ph, & !< phase
ns, & ! short notation for the total number of active slip systems
c, & ! character of dislocation
t, & ! type of dislocation
s ! index of my current slip system
real(pReal), dimension(param(instance)%sum_N_sl,10) :: &
real(pReal), dimension(param(ph)%sum_N_sl,10) :: &
deltaRhoRemobilization, & ! density increment by remobilization
deltaRhoDipole2SingleStress ! density increment by dipole dissociation (by stress change)
real(pReal), dimension(param(instance)%sum_N_sl,10) :: &
real(pReal), dimension(param(ph)%sum_N_sl,10) :: &
rho ! current dislocation densities
real(pReal), dimension(param(instance)%sum_N_sl,4) :: &
real(pReal), dimension(param(ph)%sum_N_sl,4) :: &
v ! dislocation glide velocity
real(pReal), dimension(param(instance)%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
tau ! current resolved shear stress
real(pReal), dimension(param(instance)%sum_N_sl,2) :: &
real(pReal), dimension(param(ph)%sum_N_sl,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 = material_phaseAt(1,el)
associate(prm => param(instance),dst => microstructure(instance),del => deltaState(instance))
ns = prm%sum_N_sl
associate(prm => param(ph),dst => microstructure(ph),del => deltaState(ph))
ns = prm%sum_N_sl
!*** shortcut to state variables
forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,instance),me)
forall (s = 1:ns, c = 1:2) dUpperOld(s,c) = plasticState(ph)%state(iD(s,c,instance),me)
forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,ph),me)
forall (s = 1:ns, c = 1:2) dUpperOld(s,c) = plasticState(ph)%state(iD(s,c,ph),me)
rho = getRho(instance,me,ip,el)
rho = getRho(ph,me)
rhoDip = rho(:,dip)
!****************************************************************************
@ -951,20 +946,11 @@ module subroutine plastic_nonlocal_deltaState(Mp,instance,me,ip,el)
/ (dUpperOld(s,c) - prm%minDipoleHeight(s,c))
forall (t=1:4) deltaRhoDipole2SingleStress(:,t) = -0.5_pReal * deltaRhoDipole2SingleStress(:,(t-1)/2+9)
forall (s = 1:ns, c = 1:2) plasticState(ph)%state(iD(s,c,instance),me) = dUpper(s,c)
forall (s = 1:ns, c = 1:2) plasticState(ph)%state(iD(s,c,ph),me) = dUpper(s,c)
plasticState(ph)%deltaState(:,me) = 0.0_pReal
del%rho(:,me) = reshape(deltaRhoRemobilization + deltaRhoDipole2SingleStress, [10*ns])
#ifdef DEBUG
if (debugConstitutive%extensive &
.and. ((debugConstitutive%element == el .and. debugConstitutive%ip == ip)&
.or. .not. debugConstitutive%selective)) then
print'(a,/,8(12x,12(e12.5,1x),/))', '<< CONST >> dislocation remobilization', deltaRhoRemobilization(:,1:8)
print'(a,/,10(12x,12(e12.5,1x),/),/)', '<< CONST >> dipole dissociation by stress increase', deltaRhoDipole2SingleStress
endif
#endif
end associate
end subroutine plastic_nonlocal_deltaState
@ -992,7 +978,7 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
c, & !< character of dislocation
t, & !< type of dislocation
s !< index of my current slip system
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl,10) :: &
real(pReal), dimension(param(ph)%sum_N_sl,10) :: &
rho, &
rho0, & !< dislocation density at beginning of time step
rhoDot, & !< density evolution
@ -1000,17 +986,17 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
rhoDotSingle2DipoleGlide, & !< density evolution by dipole formation (by glide)
rhoDotAthermalAnnihilation, & !< density evolution by athermal annihilation
rhoDotThermalAnnihilation !< density evolution by thermal annihilation
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl,8) :: &
real(pReal), dimension(param(ph)%sum_N_sl,8) :: &
rhoSgl, & !< current single dislocation densities (positive/negative screw and edge without dipoles)
my_rhoSgl0 !< single dislocation densities of central ip (positive/negative screw and edge without dipoles)
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl,4) :: &
real(pReal), dimension(param(ph)%sum_N_sl,4) :: &
v, & !< current dislocation glide velocity
v0, &
gdot !< shear rates
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
tau, & !< current resolved shear stress
vClimb !< climb velocity of edge dipoles
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl,2) :: &
real(pReal), dimension(param(ph)%sum_N_sl,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
@ -1022,22 +1008,22 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
return
endif
associate(prm => param(phase_plasticityInstance(ph)), &
dst => microstructure(phase_plasticityInstance(ph)), &
dot => dotState(phase_plasticityInstance(ph)), &
stt => state(phase_plasticityInstance(ph)))
associate(prm => param(ph), &
dst => microstructure(ph), &
dot => dotState(ph), &
stt => state(ph))
ns = prm%sum_N_sl
tau = 0.0_pReal
gdot = 0.0_pReal
rho = getRho(phase_plasticityInstance(ph),me,ip,el)
rho = getRho(ph,me)
rhoSgl = rho(:,sgl)
rhoDip = rho(:,dip)
rho0 = getRho0(phase_plasticityInstance(ph),me,ip,el)
rho0 = getRho0(ph,me)
my_rhoSgl0 = rho0(:,sgl)
forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,phase_plasticityInstance(ph)),me)
forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,ph),me)
gdot = rhoSgl(:,1:4) * v * spread(prm%b_sl,2,4)
#ifdef DEBUG
@ -1086,7 +1072,7 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
* sqrt(stt%rho_forest(:,me)) / prm%i_sl / prm%b_sl, 2, 4)
endif isBCC
forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,phase_plasticityInstance(ph)),me)
forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,ph),me)
!****************************************************************************
@ -1142,7 +1128,7 @@ module subroutine nonlocal_dotState(Mp, Temperature,timestep, &
- rhoDip(s,1) / timestep - rhoDotAthermalAnnihilation(s,9) &
- rhoDotSingle2DipoleGlide(s,9)) ! make sure that we do not annihilate more dipoles than we have
rhoDot = rhoDotFlux(timestep, phase_plasticityInstance(ph),me,ip,el) &
rhoDot = rhoDotFlux(timestep, ph,me,ip,el) &
+ rhoDotMultiplication &
+ rhoDotSingle2DipoleGlide &
+ rhoDotAthermalAnnihilation &
@ -1171,19 +1157,18 @@ end subroutine nonlocal_dotState
!---------------------------------------------------------------------------------------------------
!> @brief calculates the rate of change of microstructure
!---------------------------------------------------------------------------------------------------
function rhoDotFlux(timestep,instance,me,ip,el)
function rhoDotFlux(timestep,ph,me,ip,el)
real(pReal), intent(in) :: &
timestep !< substepped crystallite time increment
integer, intent(in) :: &
instance, &
ph, &
me, &
ip, & !< current integration point
el !< current element number
integer :: &
ph, &
neighbor_instance, & !< instance of my neighbor's plasticity
neighbor_ph, & !< phase of my neighbor's plasticity
ns, & !< short notation for the total number of active slip systems
c, & !< character of dislocation
n, & !< index of my current neighbor
@ -1199,20 +1184,20 @@ function rhoDotFlux(timestep,instance,me,ip,el)
np,& !< neighbor phase shortcut
topp, & !< type of dislocation with opposite sign to t
s !< index of my current slip system
real(pReal), dimension(param(instance)%sum_N_sl,10) :: &
real(pReal), dimension(param(ph)%sum_N_sl,10) :: &
rho, &
rho0, & !< dislocation density at beginning of time step
rhoDotFlux !< density evolution by flux
real(pReal), dimension(param(instance)%sum_N_sl,8) :: &
real(pReal), dimension(param(ph)%sum_N_sl,8) :: &
rhoSgl, & !< current single dislocation densities (positive/negative screw and edge without dipoles)
neighbor_rhoSgl0, & !< current single dislocation densities of neighboring ip (positive/negative screw and edge without dipoles)
my_rhoSgl0 !< single dislocation densities of central ip (positive/negative screw and edge without dipoles)
real(pReal), dimension(param(instance)%sum_N_sl,4) :: &
real(pReal), dimension(param(ph)%sum_N_sl,4) :: &
v, & !< current dislocation glide velocity
v0, &
neighbor_v0, & !< dislocation glide velocity of enighboring ip
gdot !< shear rates
real(pReal), dimension(3,param(instance)%sum_N_sl,4) :: &
real(pReal), dimension(3,param(ph)%sum_N_sl,4) :: &
m !< direction of dislocation motion
real(pReal), dimension(3,3) :: &
my_F, & !< my total deformation gradient
@ -1230,26 +1215,25 @@ function rhoDotFlux(timestep,instance,me,ip,el)
transmissivity, & !< overall transmissivity of dislocation flux to neighboring material point
lineLength !< dislocation line length leaving the current interface
ph = material_phaseAt(1,el)
associate(prm => param(instance), &
dst => microstructure(instance), &
dot => dotState(instance), &
stt => state(instance))
associate(prm => param(ph), &
dst => microstructure(ph), &
dot => dotState(ph), &
stt => state(ph))
ns = prm%sum_N_sl
gdot = 0.0_pReal
rho = getRho(instance,me,ip,el)
rho = getRho(ph,me)
rhoSgl = rho(:,sgl)
rho0 = getRho0(instance,me,ip,el)
rho0 = getRho0(ph,me)
my_rhoSgl0 = rho0(:,sgl)
forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,instance),me) !ToDo: MD: I think we should use state0 here
forall (s = 1:ns, t = 1:4) v(s,t) = plasticState(ph)%state(iV(s,t,ph),me) !ToDo: MD: I think we should use state0 here
gdot = rhoSgl(:,1:4) * v * spread(prm%b_sl,2,4)
forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,instance),me)
forall (s = 1:ns, t = 1:4) v0(s,t) = plasticState(ph)%state0(iV(s,t,ph),me)
!****************************************************************************
!*** calculate dislocation fluxes (only for nonlocal plasticity)
@ -1284,8 +1268,8 @@ function rhoDotFlux(timestep,instance,me,ip,el)
m(1:3,:,3) = -prm%slip_transverse
m(1:3,:,4) = prm%slip_transverse
my_F = constitutive_mech_F(ph)%data(1:3,1:3,me)
my_Fe = matmul(my_F, math_inv33(constitutive_mech_Fp(ph)%data(1:3,1:3,me)))
my_F = phase_mechanical_F(ph)%data(1:3,1:3,me)
my_Fe = matmul(my_F, math_inv33(phase_mechanical_Fp(ph)%data(1:3,1:3,me)))
neighbors: do n = 1,nIPneighbors
@ -1301,9 +1285,9 @@ function rhoDotFlux(timestep,instance,me,ip,el)
opposite_n = IPneighborhood(3,opposite_neighbor,ip,el)
if (neighbor_n > 0) then ! if neighbor exists, average deformation gradient
neighbor_instance = phase_plasticityInstance(material_phaseAt(1,neighbor_el))
neighbor_F = constitutive_mech_F(np)%data(1:3,1:3,no)
neighbor_Fe = matmul(neighbor_F, math_inv33(constitutive_mech_Fp(np)%data(1:3,1:3,no)))
neighbor_ph = material_phaseAt(1,neighbor_el)
neighbor_F = phase_mechanical_F(np)%data(1:3,1:3,no)
neighbor_Fe = matmul(neighbor_F, math_inv33(phase_mechanical_Fp(np)%data(1:3,1:3,no)))
Favg = 0.5_pReal * (my_F + neighbor_F)
else ! if no neighbor, take my value as average
Favg = my_F
@ -1324,8 +1308,8 @@ function rhoDotFlux(timestep,instance,me,ip,el)
any(compatibility(:,:,:,n,ip,el) > 0.0_pReal)) then
forall (s = 1:ns, t = 1:4)
neighbor_v0(s,t) = plasticState(np)%state0(iV (s,t,neighbor_instance),no)
neighbor_rhoSgl0(s,t) = max(plasticState(np)%state0(iRhoU(s,t,neighbor_instance),no),0.0_pReal)
neighbor_v0(s,t) = plasticState(np)%state0(iV (s,t,neighbor_ph),no)
neighbor_rhoSgl0(s,t) = max(plasticState(np)%state0(iRhoU(s,t,neighbor_ph),no),0.0_pReal)
endforall
where (neighbor_rhoSgl0 * IPvolume(neighbor_ip,neighbor_el) ** 0.667_pReal < prm%rho_min &
@ -1408,12 +1392,12 @@ end function rhoDotFlux
! plane normals and signed cosine of the angle between the slip directions. Only the largest values
! that sum up to a total of 1 are considered, all others are set to zero.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_nonlocal_updateCompatibility(orientation,instance,i,e)
module subroutine plastic_nonlocal_updateCompatibility(orientation,ph,i,e)
type(rotation), dimension(1,discretization_nIPs,discretization_Nelems), intent(in) :: &
orientation ! crystal orientation
integer, intent(in) :: &
instance, &
ph, &
i, &
e
@ -1421,24 +1405,21 @@ module subroutine plastic_nonlocal_updateCompatibility(orientation,instance,i,e)
n, & ! neighbor index
neighbor_e, & ! element index of my neighbor
neighbor_i, & ! integration point index of my neighbor
ph, &
neighbor_phase, &
ns, & ! number of active slip systems
s1, & ! slip system index (me)
s2 ! slip system index (my neighbor)
real(pReal), dimension(2,param(instance)%sum_N_sl,param(instance)%sum_N_sl,nIPneighbors) :: &
real(pReal), dimension(2,param(ph)%sum_N_sl,param(ph)%sum_N_sl,nIPneighbors) :: &
my_compatibility ! my_compatibility for current element and ip
real(pReal) :: &
my_compatibilitySum, &
thresholdValue, &
nThresholdValues
logical, dimension(param(instance)%sum_N_sl) :: &
logical, dimension(param(ph)%sum_N_sl) :: &
belowThreshold
type(rotation) :: mis
ph = material_phaseAt(1,e)
associate(prm => param(instance))
associate(prm => param(ph))
ns = prm%sum_N_sl
!*** start out fully compatible
@ -1524,14 +1505,14 @@ end subroutine plastic_nonlocal_updateCompatibility
!--------------------------------------------------------------------------------------------------
!> @brief writes results to HDF5 output file
!--------------------------------------------------------------------------------------------------
module subroutine plastic_nonlocal_results(instance,group)
module subroutine plastic_nonlocal_results(ph,group)
integer, intent(in) :: instance
integer, intent(in) :: ph
character(len=*),intent(in) :: group
integer :: o
associate(prm => param(instance),dst => microstructure(instance),stt=>state(instance))
associate(prm => param(ph),dst => microstructure(ph),stt=>state(ph))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
case('rho_u_ed_pos')
@ -1595,17 +1576,16 @@ end subroutine plastic_nonlocal_results
!--------------------------------------------------------------------------------------------------
!> @brief populates the initial dislocation density
!--------------------------------------------------------------------------------------------------
subroutine stateInit(ini,phase,Nconstituents,instance)
subroutine stateInit(ini,phase,Nconstituents)
type(tInitialParameters) :: &
ini
integer,intent(in) :: &
phase, &
Nconstituents, &
instance
Nconstituents
integer :: &
e, &
i, &
e, &
f, &
from, &
upto, &
@ -1623,7 +1603,7 @@ subroutine stateInit(ini,phase,Nconstituents,instance)
volume
associate(stt => state(instance))
associate(stt => state(phase))
if (ini%random_rho_u > 0.0_pReal) then ! randomly distribute dislocation segments on random slip system and of random type in the volume
do e = 1,discretization_Nelems
@ -1652,8 +1632,8 @@ subroutine stateInit(ini,phase,Nconstituents,instance)
do s = from,upto
noise = [math_sampleGaussVar(0.0_pReal, ini%sigma_rho_u), &
math_sampleGaussVar(0.0_pReal, ini%sigma_rho_u)]
stt%rho_sgl_mob_edg_pos(s,e) = ini%rho_u_ed_pos_0(f) + noise(1)
stt%rho_sgl_mob_edg_neg(s,e) = ini%rho_u_ed_neg_0(f) + noise(1)
stt%rho_sgl_mob_edg_pos(s,e) = ini%rho_u_ed_pos_0(f) + noise(1)
stt%rho_sgl_mob_edg_neg(s,e) = ini%rho_u_ed_neg_0(f) + noise(1)
stt%rho_sgl_mob_scr_pos(s,e) = ini%rho_u_sc_pos_0(f) + noise(2)
stt%rho_sgl_mob_scr_neg(s,e) = ini%rho_u_sc_neg_0(f) + noise(2)
enddo
@ -1671,18 +1651,18 @@ end subroutine stateInit
!--------------------------------------------------------------------------------------------------
!> @brief calculates kinetics
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, Temperature, instance)
pure subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, Temperature, ph)
integer, intent(in) :: &
c, & !< dislocation character (1:edge, 2:screw)
instance
ph
real(pReal), intent(in) :: &
Temperature !< temperature
real(pReal), dimension(param(instance)%sum_N_sl), intent(in) :: &
real(pReal), dimension(param(ph)%sum_N_sl), intent(in) :: &
tau, & !< resolved external shear stress (without non Schmid effects)
tauNS, & !< resolved external shear stress (including non Schmid effects)
tauThreshold !< threshold shear stress
real(pReal), dimension(param(instance)%sum_N_sl), intent(out) :: &
real(pReal), dimension(param(ph)%sum_N_sl), intent(out) :: &
v, & !< velocity
dv_dtau, & !< velocity derivative with respect to resolved shear stress (without non Schmid contributions)
dv_dtauNS !< velocity derivative with respect to resolved shear stress (including non Schmid contributions)
@ -1713,7 +1693,7 @@ pure subroutine kinetics(v, dv_dtau, dv_dtauNS, tau, tauNS, tauThreshold, c, Tem
criticalStress_S, & !< maximum obstacle strength
mobility !< dislocation mobility
associate(prm => param(instance))
associate(prm => param(ph))
ns = prm%sum_N_sl
v = 0.0_pReal
dv_dtau = 0.0_pReal
@ -1786,21 +1766,22 @@ end subroutine kinetics
!> @brief returns copy of current dislocation densities from state
!> @details raw values is rectified
!--------------------------------------------------------------------------------------------------
pure function getRho(instance,me,ip,el)
pure function getRho(ph,me)
integer, intent(in) :: instance, me,ip,el
real(pReal), dimension(param(instance)%sum_N_sl,10) :: getRho
integer, intent(in) :: ph, me
real(pReal), dimension(param(ph)%sum_N_sl,10) :: getRho
associate(prm => param(instance))
getRho = reshape(state(instance)%rho(:,me),[prm%sum_N_sl,10])
associate(prm => param(ph))
! ensure positive densities (not for imm, they have a sign)
getRho(:,mob) = max(getRho(:,mob),0.0_pReal)
getRho(:,dip) = max(getRho(:,dip),0.0_pReal)
getRho = reshape(state(ph)%rho(:,me),[prm%sum_N_sl,10])
where(abs(getRho) < max(prm%rho_min/IPvolume(ip,el)**(2.0_pReal/3.0_pReal),prm%rho_significant)) &
getRho = 0.0_pReal
! ensure positive densities (not for imm, they have a sign)
getRho(:,mob) = max(getRho(:,mob),0.0_pReal)
getRho(:,dip) = max(getRho(:,dip),0.0_pReal)
where(abs(getRho) < max(prm%rho_min/geom(ph)%V_0(me)**(2.0_pReal/3.0_pReal),prm%rho_significant)) &
getRho = 0.0_pReal
end associate
@ -1811,24 +1792,46 @@ end function getRho
!> @brief returns copy of current dislocation densities from state
!> @details raw values is rectified
!--------------------------------------------------------------------------------------------------
pure function getRho0(instance,me,ip,el)
pure function getRho0(ph,me)
integer, intent(in) :: instance, me,ip,el
real(pReal), dimension(param(instance)%sum_N_sl,10) :: getRho0
integer, intent(in) :: ph, me
real(pReal), dimension(param(ph)%sum_N_sl,10) :: getRho0
associate(prm => param(instance))
getRho0 = reshape(state0(instance)%rho(:,me),[prm%sum_N_sl,10])
associate(prm => param(ph))
! ensure positive densities (not for imm, they have a sign)
getRho0(:,mob) = max(getRho0(:,mob),0.0_pReal)
getRho0(:,dip) = max(getRho0(:,dip),0.0_pReal)
getRho0 = reshape(state0(ph)%rho(:,me),[prm%sum_N_sl,10])
where(abs(getRho0) < max(prm%rho_min/IPvolume(ip,el)**(2.0_pReal/3.0_pReal),prm%rho_significant)) &
getRho0 = 0.0_pReal
! ensure positive densities (not for imm, they have a sign)
getRho0(:,mob) = max(getRho0(:,mob),0.0_pReal)
getRho0(:,dip) = max(getRho0(:,dip),0.0_pReal)
where(abs(getRho0) < max(prm%rho_min/geom(ph)%V_0(me)**(2.0_pReal/3.0_pReal),prm%rho_significant)) &
getRho0 = 0.0_pReal
end associate
end function getRho0
subroutine storeGeometry(ph)
integer, intent(in) :: ph
integer :: ip, el, ce, co
ce = 0
do el = 1, size(material_homogenizationMemberAt,2)
do ip = 1, size(material_homogenizationMemberAt,1)
ce = ce + 1
do co = 1, homogenization_maxNconstituents
if(material_phaseAt2(co,ce) == ph) then
geom(ph)%V_0(material_phaseMemberAt2(co,ce)) = IPvolume(ip,el)
endif
enddo
enddo
enddo
end subroutine
end submodule nonlocal

124
src/phase_mechanics_plastic_phenopowerlaw.f90 → src/phase_mechanical_plastic_phenopowerlaw.f90
View File

@ -70,8 +70,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
logical, dimension(:), allocatable :: myPlasticity
integer :: &
Ninstances, &
p, i, &
ph, i, &
Nconstituents, &
sizeState, sizeDotState, &
startIndex, endIndex
@ -89,27 +88,26 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
mech, &
pl
print'(/,a)', ' <<<+- phase:mechanics:plastic:phenopowerlaw init -+>>>'
myPlasticity = plastic_active('phenopowerlaw')
Ninstances = count(myPlasticity)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
if(count(myPlasticity) == 0) return
print'(/,a)', ' <<<+- phase:mechanical:plastic:phenopowerlaw init -+>>>'
print'(a,i0)', ' # phases: ',count(myPlasticity); flush(IO_STDOUT)
allocate(param(Ninstances))
allocate(state(Ninstances))
allocate(dotState(Ninstances))
phases => config_material%get('phase')
i = 0
do p = 1, phases%length
phase => phases%get(p)
allocate(param(phases%length))
allocate(state(phases%length))
allocate(dotState(phases%length))
do ph = 1, phases%length
if(.not. myPlasticity(ph)) cycle
associate(prm => param(ph), dot => dotState(ph), stt => state(ph))
phase => phases%get(ph)
mech => phase%get('mechanics')
if(.not. myPlasticity(p)) cycle
i = i + 1
associate(prm => param(i), &
dot => dotState(i), &
stt => state(i))
pl => mech%get('plasticity')
!--------------------------------------------------------------------------------------------------
@ -136,7 +134,7 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
xi_0_sl = pl%get_asFloats('xi_0_sl', requiredSize=size(N_sl))
prm%xi_inf_sl = pl%get_asFloats('xi_inf_sl', requiredSize=size(N_sl))
prm%h_int = pl%get_asFloats('h_int', requiredSize=size(N_sl), &
defaultVal=[(0.0_pReal,i=1,size(N_sl))])
defaultVal=[(0.0_pReal,i=1,size(N_sl))])
prm%dot_gamma_0_sl = pl%get_asFloat('dot_gamma_0_sl')
prm%n_sl = pl%get_asFloat('n_sl')
@ -225,49 +223,49 @@ module function plastic_phenopowerlaw_init() result(myPlasticity)
!--------------------------------------------------------------------------------------------------
! allocate state arrays
Nconstituents = count(material_phaseAt2 == p)
Nconstituents = count(material_phaseAt2 == ph)
sizeDotState = size(['xi_sl ','gamma_sl']) * prm%sum_N_sl &
+ size(['xi_tw ','gamma_tw']) * prm%sum_N_tw
sizeState = sizeDotState
call constitutive_allocateState(plasticState(p),Nconstituents,sizeState,sizeDotState,0)
call phase_allocateState(plasticState(ph),Nconstituents,sizeState,sizeDotState,0)
!--------------------------------------------------------------------------------------------------
! state aliases and initialization
startIndex = 1
endIndex = prm%sum_N_sl
stt%xi_slip => plasticState(p)%state (startIndex:endIndex,:)
stt%xi_slip => plasticState(ph)%state (startIndex:endIndex,:)
stt%xi_slip = spread(xi_0_sl, 2, Nconstituents)
dot%xi_slip => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
dot%xi_slip => plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_tw
stt%xi_twin => plasticState(p)%state (startIndex:endIndex,:)
stt%xi_twin => plasticState(ph)%state (startIndex:endIndex,:)
stt%xi_twin = spread(xi_0_tw, 2, Nconstituents)
dot%xi_twin => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
dot%xi_twin => plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_xi',defaultVal=1.0_pReal)
if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_xi'
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_sl
stt%gamma_slip => plasticState(p)%state (startIndex:endIndex,:)
dot%gamma_slip => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
stt%gamma_slip => plasticState(ph)%state (startIndex:endIndex,:)
dot%gamma_slip => plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
! global alias
plasticState(p)%slipRate => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(ph)%slipRate => plasticState(ph)%dotState(startIndex:endIndex,:)
startIndex = endIndex + 1
endIndex = endIndex + prm%sum_N_tw
stt%gamma_twin => plasticState(p)%state (startIndex:endIndex,:)
dot%gamma_twin => plasticState(p)%dotState(startIndex:endIndex,:)
plasticState(p)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
if(any(plasticState(p)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
stt%gamma_twin => plasticState(ph)%state (startIndex:endIndex,:)
dot%gamma_twin => plasticState(ph)%dotState(startIndex:endIndex,:)
plasticState(ph)%atol(startIndex:endIndex) = pl%get_asFloat('atol_gamma',defaultVal=1.0e-6_pReal)
if(any(plasticState(ph)%atol(startIndex:endIndex) < 0.0_pReal)) extmsg = trim(extmsg)//' atol_gamma'
plasticState(p)%state0 = plasticState(p)%state ! ToDo: this could be done centrally
plasticState(ph)%state0 = plasticState(ph)%state ! ToDo: this could be done centrally
end associate
@ -300,18 +298,18 @@ pure module subroutine phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,me)
integer :: &
i,k,l,m,n
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
gdot_slip_pos,gdot_slip_neg, &
dgdot_dtauslip_pos,dgdot_dtauslip_neg
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_tw) :: &
real(pReal), dimension(param(ph)%sum_N_tw) :: &
gdot_twin,dgdot_dtautwin
Lp = 0.0_pReal
dLp_dMp = 0.0_pReal
associate(prm => param(phase_plasticityInstance(ph)))
associate(prm => param(ph))
call kinetics_slip(Mp,phase_plasticityInstance(ph),me,gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg)
call kinetics_slip(Mp,ph,me,gdot_slip_pos,gdot_slip_neg,dgdot_dtauslip_pos,dgdot_dtauslip_neg)
slipSystems: do i = 1, prm%sum_N_sl
Lp = Lp + (gdot_slip_pos(i)+gdot_slip_neg(i))*prm%P_sl(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@ -320,7 +318,7 @@ pure module subroutine phenopowerlaw_LpAndItsTangent(Lp,dLp_dMp,Mp,ph,me)
+ dgdot_dtauslip_neg(i) * prm%P_sl(k,l,i) * prm%nonSchmid_neg(m,n,i)
enddo slipSystems
call kinetics_twin(Mp,phase_plasticityInstance(ph),me,gdot_twin,dgdot_dtautwin)
call kinetics_twin(Mp,ph,me,gdot_twin,dgdot_dtautwin)
twinSystems: do i = 1, prm%sum_N_tw
Lp = Lp + gdot_twin(i)*prm%P_tw(1:3,1:3,i)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
@ -348,12 +346,12 @@ module subroutine phenopowerlaw_dotState(Mp,ph,me)
c_SlipSlip,c_TwinSlip,c_TwinTwin, &
xi_slip_sat_offset,&
sumGamma,sumF
real(pReal), dimension(param(phase_plasticityInstance(ph))%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
left_SlipSlip,right_SlipSlip, &
gdot_slip_pos,gdot_slip_neg
associate(prm => param(phase_plasticityInstance(ph)), stt => state(phase_plasticityInstance(ph)), &
dot => dotState(phase_plasticityInstance(ph)))
associate(prm => param(ph), stt => state(ph), &
dot => dotState(ph))
sumGamma = sum(stt%gamma_slip(:,me))
sumF = sum(stt%gamma_twin(:,me)/prm%gamma_tw_char)
@ -373,9 +371,9 @@ module subroutine phenopowerlaw_dotState(Mp,ph,me)
!--------------------------------------------------------------------------------------------------
! shear rates
call kinetics_slip(Mp,phase_plasticityInstance(ph),me,gdot_slip_pos,gdot_slip_neg)
call kinetics_slip(Mp,ph,me,gdot_slip_pos,gdot_slip_neg)
dot%gamma_slip(:,me) = abs(gdot_slip_pos+gdot_slip_neg)
call kinetics_twin(Mp,phase_plasticityInstance(ph),me,dot%gamma_twin(:,me))
call kinetics_twin(Mp,ph,me,dot%gamma_twin(:,me))
!--------------------------------------------------------------------------------------------------
! hardening
@ -393,14 +391,14 @@ end subroutine phenopowerlaw_dotState
!--------------------------------------------------------------------------------------------------
!> @brief Write results to HDF5 output file.
!--------------------------------------------------------------------------------------------------
module subroutine plastic_phenopowerlaw_results(instance,group)
module subroutine plastic_phenopowerlaw_results(ph,group)
integer, intent(in) :: instance
integer, intent(in) :: ph
character(len=*), intent(in) :: group
integer :: o
associate(prm => param(instance), stt => state(instance))
associate(prm => param(ph), stt => state(ph))
outputsLoop: do o = 1,size(prm%output)
select case(trim(prm%output(o)))
@ -432,28 +430,28 @@ end subroutine plastic_phenopowerlaw_results
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end.
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics_slip(Mp,instance,me, &
pure subroutine kinetics_slip(Mp,ph,me, &
gdot_slip_pos,gdot_slip_neg,dgdot_dtau_slip_pos,dgdot_dtau_slip_neg)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
ph, &
me
real(pReal), intent(out), dimension(param(instance)%sum_N_sl) :: &
real(pReal), intent(out), dimension(param(ph)%sum_N_sl) :: &
gdot_slip_pos, &
gdot_slip_neg
real(pReal), intent(out), optional, dimension(param(instance)%sum_N_sl) :: &
real(pReal), intent(out), optional, dimension(param(ph)%sum_N_sl) :: &
dgdot_dtau_slip_pos, &
dgdot_dtau_slip_neg
real(pReal), dimension(param(instance)%sum_N_sl) :: &
real(pReal), dimension(param(ph)%sum_N_sl) :: &
tau_slip_pos, &
tau_slip_neg
integer :: i
associate(prm => param(instance), stt => state(instance))
associate(prm => param(ph), stt => state(ph))
do i = 1, prm%sum_N_sl
tau_slip_pos(i) = math_tensordot(Mp,prm%nonSchmid_pos(1:3,1:3,i))
@ -501,25 +499,25 @@ end subroutine kinetics_slip
! NOTE: Against the common convention, the result (i.e. intent(out)) variables are the last to
! have the optional arguments at the end.
!--------------------------------------------------------------------------------------------------
pure subroutine kinetics_twin(Mp,instance,me,&
pure subroutine kinetics_twin(Mp,ph,me,&
gdot_twin,dgdot_dtau_twin)
real(pReal), dimension(3,3), intent(in) :: &
Mp !< Mandel stress
integer, intent(in) :: &
instance, &
ph, &
me
real(pReal), dimension(param(instance)%sum_N_tw), intent(out) :: &
real(pReal), dimension(param(ph)%sum_N_tw), intent(out) :: &
gdot_twin
real(pReal), dimension(param(instance)%sum_N_tw), intent(out), optional :: &
real(pReal), dimension(param(ph)%sum_N_tw), intent(out), optional :: &
dgdot_dtau_twin
real(pReal), dimension(param(instance)%sum_N_tw) :: &
real(pReal), dimension(param(ph)%sum_N_tw) :: &
tau_twin
integer :: i
associate(prm => param(instance), stt => state(instance))
associate(prm => param(ph), stt => state(ph))
do i = 1, prm%sum_N_tw
tau_twin(i) = math_tensordot(Mp,prm%P_tw(1:3,1:3,i))

207
src/phase_mechanics_eigendeformation.f90
View File

@ -1,207 +0,0 @@
submodule(phase:mechanics) eigendeformation
interface
module function kinematics_cleavage_opening_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
end function kinematics_cleavage_opening_init
module function kinematics_slipplane_opening_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
end function kinematics_slipplane_opening_init
module function kinematics_thermal_expansion_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
end function kinematics_thermal_expansion_init
module subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, co, ip, el)
integer, intent(in) :: &
co, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), intent(in), dimension(3,3) :: &
S
real(pReal), intent(out), dimension(3,3) :: &
Ld !< damage velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
end subroutine kinematics_cleavage_opening_LiAndItsTangent
module subroutine kinematics_slipplane_opening_LiAndItsTangent(Ld, dLd_dTstar, S, co, ip, el)
integer, intent(in) :: &
co, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), intent(in), dimension(3,3) :: &
S
real(pReal), intent(out), dimension(3,3) :: &
Ld !< damage velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
end subroutine kinematics_slipplane_opening_LiAndItsTangent
module subroutine thermalexpansion_LiAndItsTangent(Li, dLi_dTstar, ph,me)
integer, intent(in) :: ph, me
!< element number
real(pReal), intent(out), dimension(3,3) :: &
Li !< thermal velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLi_dTstar !< derivative of Li with respect to Tstar (4th-order tensor defined to be zero)
end subroutine thermalexpansion_LiAndItsTangent
end interface
contains
module subroutine eigendeformation_init(phases)
class(tNode), pointer :: &
phases
integer :: &
ph
class(tNode), pointer :: &
phase, &
kinematics
print'(/,a)', ' <<<+- phase:mechanics:eigendeformation init -+>>>'
!--------------------------------------------------------------------------------------------------
! initialize kinematic mechanisms
allocate(phase_Nkinematics(phases%length),source = 0)
do ph = 1,phases%length
phase => phases%get(ph)
kinematics => phase%get('kinematics',defaultVal=emptyList)
phase_Nkinematics(ph) = kinematics%length
enddo
allocate(phase_kinematics(maxval(phase_Nkinematics),phases%length), source = KINEMATICS_undefined_ID)
if(maxval(phase_Nkinematics) /= 0) then
where(kinematics_cleavage_opening_init(maxval(phase_Nkinematics))) phase_kinematics = KINEMATICS_cleavage_opening_ID
where(kinematics_slipplane_opening_init(maxval(phase_Nkinematics))) phase_kinematics = KINEMATICS_slipplane_opening_ID
where(kinematics_thermal_expansion_init(maxval(phase_Nkinematics))) phase_kinematics = KINEMATICS_thermal_expansion_ID
endif
end subroutine eigendeformation_init
!--------------------------------------------------------------------------------------------------
!> @brief checks if a kinematic mechanism is active or not
!--------------------------------------------------------------------------------------------------
function kinematics_active(kinematics_label,kinematics_length) result(active_kinematics)
character(len=*), intent(in) :: kinematics_label !< name of kinematic mechanism
integer, intent(in) :: kinematics_length !< max. number of kinematics in system
logical, dimension(:,:), allocatable :: active_kinematics
class(tNode), pointer :: &
phases, &
phase, &
kinematics, &
kinematics_type
integer :: p,k
phases => config_material%get('phase')
allocate(active_kinematics(kinematics_length,phases%length), source = .false. )
do p = 1, phases%length
phase => phases%get(p)
kinematics => phase%get('kinematics',defaultVal=emptyList)
do k = 1, kinematics%length
kinematics_type => kinematics%get(k)
if(kinematics_type%get_asString('type') == kinematics_label) active_kinematics(k,p) = .true.
enddo
enddo
end function kinematics_active
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
! ToDo: MD: S is Mi?
!--------------------------------------------------------------------------------------------------
module subroutine constitutive_LiAndItsTangents(Li, dLi_dS, dLi_dFi, &
S, Fi, co, ip, el)
integer, intent(in) :: &
co, & !< component-ID of integration point
ip, & !< integration point
el !< element
real(pReal), intent(in), dimension(3,3) :: &
S !< 2nd Piola-Kirchhoff stress
real(pReal), intent(in), dimension(3,3) :: &
Fi !< intermediate deformation gradient
real(pReal), intent(out), dimension(3,3) :: &
Li !< intermediate velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLi_dS, & !< derivative of Li with respect to S
dLi_dFi
real(pReal), dimension(3,3) :: &
my_Li, & !< intermediate velocity gradient
FiInv, &
temp_33
real(pReal), dimension(3,3,3,3) :: &
my_dLi_dS
real(pReal) :: &
detFi
integer :: &
k, i, j, &
instance, of, me, ph
Li = 0.0_pReal
dLi_dS = 0.0_pReal
dLi_dFi = 0.0_pReal
plasticityType: select case (phase_plasticity(material_phaseAt(co,el)))
case (PLASTICITY_isotropic_ID) plasticityType
of = material_phasememberAt(co,ip,el)
instance = phase_plasticityInstance(material_phaseAt(co,el))
call plastic_isotropic_LiAndItsTangent(my_Li, my_dLi_dS, S ,instance,of)
case default plasticityType
my_Li = 0.0_pReal
my_dLi_dS = 0.0_pReal
end select plasticityType
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
KinematicsLoop: do k = 1, phase_Nkinematics(material_phaseAt(co,el))
kinematicsType: select case (phase_kinematics(k,material_phaseAt(co,el)))
case (KINEMATICS_cleavage_opening_ID) kinematicsType
call kinematics_cleavage_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, co, ip, el)
case (KINEMATICS_slipplane_opening_ID) kinematicsType
call kinematics_slipplane_opening_LiAndItsTangent(my_Li, my_dLi_dS, S, co, ip, el)
case (KINEMATICS_thermal_expansion_ID) kinematicsType
me = material_phaseMemberAt(co,ip,el)
ph = material_phaseAt(co,el)
call thermalexpansion_LiAndItsTangent(my_Li, my_dLi_dS, ph,me)
case default kinematicsType
my_Li = 0.0_pReal
my_dLi_dS = 0.0_pReal
end select kinematicsType
Li = Li + my_Li
dLi_dS = dLi_dS + my_dLi_dS
enddo KinematicsLoop
FiInv = math_inv33(Fi)
detFi = math_det33(Fi)
Li = matmul(matmul(Fi,Li),FiInv)*detFi !< push forward to intermediate configuration
temp_33 = matmul(FiInv,Li)
do i = 1,3; do j = 1,3
dLi_dS(1:3,1:3,i,j) = matmul(matmul(Fi,dLi_dS(1:3,1:3,i,j)),FiInv)*detFi
dLi_dFi(1:3,1:3,i,j) = dLi_dFi(1:3,1:3,i,j) + Li*FiInv(j,i)
dLi_dFi(1:3,i,1:3,j) = dLi_dFi(1:3,i,1:3,j) + math_I3*temp_33(j,i) + Li*FiInv(j,i)
enddo; enddo
end subroutine constitutive_LiAndItsTangents
end submodule eigendeformation

165
src/phase_mechanics_eigendeformation_cleavageopening.f90
View File

@ -1,165 +0,0 @@
!--------------------------------------------------------------------------------------------------
!> @author Luv Sharma, Max-Planck-Institut für Eisenforschung GmbH
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @brief material subroutine incorporating kinematics resulting from opening of cleavage planes
!> @details to be done
!--------------------------------------------------------------------------------------------------
submodule(phase:eigendeformation) cleavageopening
integer, dimension(:), allocatable :: kinematics_cleavage_opening_instance
type :: tParameters !< container type for internal constitutive parameters
integer :: &
sum_N_cl !< total number of cleavage planes
real(pReal) :: &
dot_o, & !< opening rate of cleavage planes
q !< damage rate sensitivity
real(pReal), dimension(:), allocatable :: &
g_crit
real(pReal), dimension(:,:,:,:), allocatable :: &
cleavage_systems
end type tParameters
type(tParameters), dimension(:), allocatable :: param !< containers of constitutive parameters (len Ninstances)
contains
!--------------------------------------------------------------------------------------------------
!> @brief module initialization
!> @details reads in material parameters, allocates arrays, and does sanity checks
!--------------------------------------------------------------------------------------------------
module function kinematics_cleavage_opening_init(kinematics_length) result(myKinematics)
integer, intent(in) :: kinematics_length
logical, dimension(:,:), allocatable :: myKinematics
integer :: Ninstances,p,k
integer, dimension(:), allocatable :: N_cl !< active number of cleavage systems per family
character(len=pStringLen) :: extmsg = ''
class(tNode), pointer :: &
phases, &
phase, &
kinematics, &
kinematic_type
print'(/,a)', ' <<<+- phase:mechanics:eigendeformation:cleavageopening init -+>>>'
myKinematics = kinematics_active('cleavage_opening',kinematics_length)
Ninstances = count(myKinematics)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
phases => config_material%get('phase')
allocate(param(Ninstances))
allocate(kinematics_cleavage_opening_instance(phases%length), source=0)
do p = 1, phases%length
if(any(myKinematics(:,p))) kinematics_cleavage_opening_instance(p) = count(myKinematics(:,1:p))
phase => phases%get(p)
if(count(myKinematics(:,p)) == 0) cycle
kinematics => phase%get('kinematics')
do k = 1, kinematics%length
if(myKinematics(k,p)) then
associate(prm => param(kinematics_cleavage_opening_instance(p)))
kinematic_type => kinematics%get(k)
N_cl = kinematic_type%get_asInts('N_cl')
prm%sum_N_cl = sum(abs(N_cl))
prm%q = kinematic_type%get_asFloat('q')
prm%dot_o = kinematic_type%get_asFloat('dot_o')
prm%g_crit = kinematic_type%get_asFloats('g_crit',requiredSize=size(N_cl))
prm%cleavage_systems = lattice_SchmidMatrix_cleavage(N_cl,phase%get_asString('lattice'),&
phase%get_asFloat('c/a',defaultVal=0.0_pReal))
! expand: family => system
prm%g_crit = math_expand(prm%g_crit,N_cl)
! sanity checks
if (prm%q <= 0.0_pReal) extmsg = trim(extmsg)//' q'
if (prm%dot_o <= 0.0_pReal) extmsg = trim(extmsg)//' dot_o'
if (any(prm%g_crit < 0.0_pReal)) extmsg = trim(extmsg)//' g_crit'
!--------------------------------------------------------------------------------------------------
! exit if any parameter is out of range
if (extmsg /= '') call IO_error(211,ext_msg=trim(extmsg)//'(cleavage_opening)')
end associate
endif
enddo
enddo
end function kinematics_cleavage_opening_init
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the velocity gradient
!--------------------------------------------------------------------------------------------------
module subroutine kinematics_cleavage_opening_LiAndItsTangent(Ld, dLd_dTstar, S, co, ip, el)
integer, intent(in) :: &
co, & !< grain number
ip, & !< integration point number
el !< element number
real(pReal), intent(in), dimension(3,3) :: &
S
real(pReal), intent(out), dimension(3,3) :: &
Ld !< damage velocity gradient
real(pReal), intent(out), dimension(3,3,3,3) :: &
dLd_dTstar !< derivative of Ld with respect to Tstar (4th-order tensor)
integer :: &
homog, damageOffset, &
i, k, l, m, n
real(pReal) :: &
traction_d, traction_t, traction_n, traction_crit, &
udotd, dudotd_dt, udott, dudott_dt, udotn, dudotn_dt
homog = material_homogenizationAt(el)
damageOffset = material_homogenizationMemberAt(ip,el)
Ld = 0.0_pReal
dLd_dTstar = 0.0_pReal
associate(prm => param(kinematics_cleavage_opening_instance(material_phaseAt(co,el))))
do i = 1,prm%sum_N_cl
traction_crit = prm%g_crit(i)* damage(homog)%p(damageOffset)**2.0_pReal
traction_d = math_tensordot(S,prm%cleavage_systems(1:3,1:3,1,i))
if (abs(traction_d) > traction_crit + tol_math_check) then
udotd = sign(1.0_pReal,traction_d)* prm%dot_o * ((abs(traction_d) - traction_crit)/traction_crit)**prm%q
Ld = Ld + udotd*prm%cleavage_systems(1:3,1:3,1,i)
dudotd_dt = sign(1.0_pReal,traction_d)*udotd*prm%q / (abs(traction_d) - traction_crit)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
+ dudotd_dt*prm%cleavage_systems(k,l,1,i) * prm%cleavage_systems(m,n,1,i)
endif
traction_t = math_tensordot(S,prm%cleavage_systems(1:3,1:3,2,i))
if (abs(traction_t) > traction_crit + tol_math_check) then
udott = sign(1.0_pReal,traction_t)* prm%dot_o * ((abs(traction_t) - traction_crit)/traction_crit)**prm%q
Ld = Ld + udott*prm%cleavage_systems(1:3,1:3,2,i)
dudott_dt = sign(1.0_pReal,traction_t)*udott*prm%q / (abs(traction_t) - traction_crit)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
+ dudott_dt*prm%cleavage_systems(k,l,2,i) * prm%cleavage_systems(m,n,2,i)
endif
traction_n = math_tensordot(S,prm%cleavage_systems(1:3,1:3,3,i))
if (abs(traction_n) > traction_crit + tol_math_check) then
udotn = sign(1.0_pReal,traction_n)* prm%dot_o * ((abs(traction_n) - traction_crit)/traction_crit)**prm%q
Ld = Ld + udotn*prm%cleavage_systems(1:3,1:3,3,i)
dudotn_dt = sign(1.0_pReal,traction_n)*udotn*prm%q / (abs(traction_n) - traction_crit)
forall (k=1:3,l=1:3,m=1:3,n=1:3) &
dLd_dTstar(k,l,m,n) = dLd_dTstar(k,l,m,n) &
+ dudotn_dt*prm%cleavage_systems(k,l,3,i) * prm%cleavage_systems(m,n,3,i)
endif
enddo
end associate
end subroutine kinematics_cleavage_opening_LiAndItsTangent
end submodule cleavageopening

22
src/phase_thermal.f90
View File

@ -3,6 +3,12 @@
!----------------------------------------------------------------------------------------------------
submodule(phase) thermal
integer, dimension(:), allocatable :: &
thermal_Nsources
type(tSourceState), allocatable, dimension(:) :: &
thermalState
enum, bind(c); enumerator :: &
THERMAL_UNDEFINED_ID ,&
THERMAL_DISSIPATION_ID, &
@ -33,8 +39,6 @@ submodule(phase) thermal
end function externalheat_init
module subroutine externalheat_dotState(ph, me)
integer, intent(in) :: &
ph, &
@ -124,7 +128,7 @@ end subroutine thermal_init
!----------------------------------------------------------------------------------------------
!< @brief calculates thermal dissipation rate
!----------------------------------------------------------------------------------------------
module subroutine constitutive_thermal_getRate(TDot, ph,me)
module subroutine phase_thermal_getRate(TDot, ph,me)
integer, intent(in) :: ph, me
real(pReal), intent(out) :: &
@ -153,13 +157,13 @@ module subroutine constitutive_thermal_getRate(TDot, ph,me)
enddo
end subroutine constitutive_thermal_getRate
end subroutine phase_thermal_getRate
!--------------------------------------------------------------------------------------------------
!> @brief contains the constitutive equation for calculating the rate of change of microstructure
!--------------------------------------------------------------------------------------------------
function constitutive_thermal_collectDotState(ph,me) result(broken)
function phase_thermal_collectDotState(ph,me) result(broken)
integer, intent(in) :: ph, me
logical :: broken
@ -178,7 +182,7 @@ function constitutive_thermal_collectDotState(ph,me) result(broken)
enddo SourceLoop
end function constitutive_thermal_collectDotState
end function phase_thermal_collectDotState
module function thermal_stress(Delta_t,ph,me) result(converged_)
@ -207,7 +211,7 @@ function integrateThermalState(Delta_t, ph,me) result(broken)
so, &
sizeDotState
broken = constitutive_thermal_collectDotState(ph,me)
broken = phase_thermal_collectDotState(ph,me)
if(broken) return
do so = 1, thermal_Nsources(ph)
@ -264,7 +268,7 @@ end function thermal_dot_T
!----------------------------------------------------------------------------------------------
!< @brief Set temperature
!----------------------------------------------------------------------------------------------
module subroutine constitutive_thermal_setField(T,dot_T, co,ce)
module subroutine phase_thermal_setField(T,dot_T, co,ce)
real(pReal), intent(in) :: T, dot_T
integer, intent(in) :: ce, co
@ -273,7 +277,7 @@ module subroutine constitutive_thermal_setField(T,dot_T, co,ce)
current(material_phaseAt2(co,ce))%T(material_phaseMemberAt2(co,ce)) = T
current(material_phaseAt2(co,ce))%dot_T(material_phaseMemberAt2(co,ce)) = dot_T
end subroutine constitutive_thermal_setField
end subroutine phase_thermal_setField

13
src/phase_thermal_dissipation.f90
View File

@ -31,15 +31,14 @@ module function dissipation_init(source_length) result(mySources)
phase, &
sources, thermal, &
src
integer :: Ninstances,so,Nconstituents,ph
integer :: so,Nconstituents,ph
print'(/,a)', ' <<<+- phase:thermal:dissipation init -+>>>'
mySources = thermal_active('dissipation',source_length)
if(count(mySources) == 0) return
print'(/,a)', ' <<<+- phase:thermal:dissipation init -+>>>'
print'(a,i2)', ' # phases: ',count(mySources); flush(IO_STDOUT)
Ninstances = count(mySources)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
phases => config_material%get('phase')
allocate(param(phases%length))
@ -56,7 +55,7 @@ module function dissipation_init(source_length) result(mySources)
prm%kappa = src%get_asFloat('kappa')
Nconstituents = count(material_phaseAt2 == ph)
call constitutive_allocateState(thermalState(ph)%p(so),Nconstituents,0,0,0)
call phase_allocateState(thermalState(ph)%p(so),Nconstituents,0,0,0)
end associate
endif
@ -78,7 +77,7 @@ module subroutine dissipation_getRate(TDot, ph,me)
associate(prm => param(ph))
TDot = prm%kappa*sum(abs(mech_S(ph,me)*mech_L_p(ph,me)))
TDot = prm%kappa*sum(abs(mechanical_S(ph,me)*mechanical_L_p(ph,me)))
end associate
end subroutine dissipation_getRate

13
src/phase_thermal_externalheat.f90
View File

@ -8,7 +8,7 @@ submodule(phase:thermal) externalheat
integer, dimension(:), allocatable :: &
source_thermal_externalheat_offset !< which source is my current thermal dissipation mechanism?
source_thermal_externalheat_offset !< which source is my current thermal dissipation mechanism?
type :: tParameters !< container type for internal constitutive parameters
real(pReal), dimension(:), allocatable :: &
@ -38,15 +38,14 @@ module function externalheat_init(source_length) result(mySources)
phase, &
sources, thermal, &
src
integer :: Ninstances,so,Nconstituents,ph
integer :: so,Nconstituents,ph
print'(/,a)', ' <<<+- phase:thermal:externalheat init -+>>>'
mySources = thermal_active('externalheat',source_length)
if(count(mySources) == 0) return
print'(/,a)', ' <<<+- phase:thermal:externalheat init -+>>>'
print'(a,i2)', ' # phases: ',count(mySources); flush(IO_STDOUT)
Ninstances = count(mySources)
print'(a,i2)', ' # instances: ',Ninstances; flush(IO_STDOUT)
if(Ninstances == 0) return
phases => config_material%get('phase')
allocate(param(phases%length))
@ -69,7 +68,7 @@ module function externalheat_init(source_length) result(mySources)
prm%f_T = src%get_asFloats('f_T',requiredSize = size(prm%t_n))
Nconstituents = count(material_phaseAt2 == ph)
call constitutive_allocateState(thermalState(ph)%p(so),Nconstituents,1,1,0)
call phase_allocateState(thermalState(ph)%p(so),Nconstituents,1,1,0)
end associate
endif
enddo