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DAMASK_EICMD
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general tensor functionality

This commit is contained in:
Martin Diehl 2020-11-19 14:38:54 +01:00
parent 894a8de9f9
commit 6e5cb60132
7 changed files with 101 additions and 106 deletions
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10
python/damask/__init__.py
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@ -1,4 +1,12 @@
"""Tools for pre and post processing of DAMASK simulations."""
"""
Tools for pre and post processing of DAMASK simulations.
Modules that contain only one class (of the same name),
are prefixed by a '_'. For example, '_colormap' contains
a class called 'Colormap' which is imported as 'damask.Colormap'.
"""
from pathlib import Path as _Path
import re as _re

4
python/damask/_result.py
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@ -649,7 +649,7 @@ class Result:
@staticmethod
def _add_deviator(T):
return {
'data': mechanics.deviatoric_part(T['data']),
'data': tensor.deviatoric(T['data']),
'label': f"s_{T['label']}",
'meta': {
'Unit': T['meta']['Unit'],
@ -968,7 +968,7 @@ class Result:
@staticmethod
def _add_spherical(T):
return {
'data': mechanics.spherical_part(T['data']),
'data': tensor.spherical(T['data'],False),
'label': f"p_{T['label']}",
'meta': {
'Unit': T['meta']['Unit'],

53
python/damask/mechanics.py
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@ -17,7 +17,7 @@ def deformation_Cauchy_Green_left(F):
Returns
-------
B : numpy.ndarray of shape (...,3,3)
Left Cauchy-Green deformation _tensor.
Left Cauchy-Green deformation tensor.
"""
return _np.matmul(F,_tensor.transpose(F))
@ -35,30 +35,12 @@ def deformation_Cauchy_Green_right(F):
Returns
-------
C : numpy.ndarray of shape (...,3,3)
Right Cauchy-Green deformation _tensor.
Right Cauchy-Green deformation tensor.
"""
return _np.matmul(_tensor.transpose(F),F)
def deviatoric_part(T):
"""
Calculate deviatoric part of a tensor.
Parameters
----------
T : numpy.ndarray of shape (...,3,3)
Tensor of which the deviatoric part is computed.
Returns
-------
T' : numpy.ndarray of shape (...,3,3)
Deviatoric part of T.
"""
return T - spherical_part(T,tensor=True)
def equivalent_strain_Mises(epsilon):
"""
Calculate the Mises equivalent of a strain tensor.
@ -132,29 +114,6 @@ def rotational_part(T):
return _polar_decomposition(T,'R')[0]
def spherical_part(T,tensor=False):
"""
Calculate spherical (hydrostatic) part of a tensor.
Parameters
----------
T : numpy.ndarray of shape (...,3,3)
Tensor of which the hydrostatic part is computed.
tensor : bool, optional
Map spherical part onto identity _tensor. Defaults to false
Returns
-------
p : numpy.ndarray of shape (...)
unless tensor == True: shape (...,3,3)
Spherical part of tensor T, e.g. the hydrostatic part/pressure
of a stress _tensor.
"""
sph = _np.trace(T,axis2=-2,axis1=-1)/3.0
return _np.einsum('...jk,...',_np.eye(3),sph) if tensor else sph
def strain(F,t,m):
"""
Calculate strain tensor (Seth–Hill family).
@ -168,7 +127,7 @@ def strain(F,t,m):
Deformation gradient.
t : {‘V’, ‘U’}
Type of the polar decomposition, ‘V’ for left stretch tensor
and ‘U’ for right stretch _tensor.
and ‘U’ for right stretch tensor.
m : float
Order of the strain.
@ -242,7 +201,7 @@ def stress_second_Piola_Kirchhoff(P,F):
def stretch_left(T):
"""
Calculate left stretch of a _tensor.
Calculate left stretch of a tensor.
Parameters
----------
@ -260,7 +219,7 @@ def stretch_left(T):
def stretch_right(T):
"""
Calculate right stretch of a _tensor.
Calculate right stretch of a tensor.
Parameters
----------
@ -318,5 +277,5 @@ def _equivalent_Mises(T_sym,s):
Scaling factor (2/3 for strain, 3/2 for stress).
"""
d = deviatoric_part(T_sym)
d = _tensor.deviatoric(T_sym)
return _np.sqrt(s*_np.sum(d**2.0,axis=(-1,-2)))

41
python/damask/tensor.py
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@ -11,6 +11,24 @@ to operate on numpy.ndarrays of shape (...,3,3).
import numpy as _np
def deviatoric(T):
"""
Calculate deviatoric part of a tensor.
Parameters
----------
T : numpy.ndarray of shape (...,3,3)
Tensor of which the deviatoric part is computed.
Returns
-------
T' : numpy.ndarray of shape (...,3,3)
Deviatoric part of T.
"""
return T - spherical(T,tensor=True)
def eigenvalues(T_sym):
"""
Eigenvalues, i.e. principal components, of a symmetric tensor.
@ -55,6 +73,29 @@ def eigenvectors(T_sym,RHS=False):
return v
def spherical(T,tensor=True):
"""
Calculate spherical part of a tensor.
Parameters
----------
T : numpy.ndarray of shape (...,3,3)
Tensor of which the spherical part is computed.
tensor : bool, optional
Map spherical part onto identity tensor. Defaults to True.
Returns
-------
p : numpy.ndarray of shape (...,3,3)
unless tensor == False: shape (...,)
Spherical part of tensor T. p is an isotropic tensor.
"""
sph = _np.trace(T,axis2=-2,axis1=-1)/3.0
return _np.einsum('...jk,...',_np.eye(3),sph) if tensor else sph
def symmetric(T):
"""
Symmetrize tensor.

4
python/tests/test_Result.py
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@ -143,7 +143,7 @@ class TestResult:
default.add_deviator('P')
loc = {'P' :default.get_dataset_location('P'),
's_P':default.get_dataset_location('s_P')}
in_memory = mechanics.deviatoric_part(default.read_dataset(loc['P'],0))
in_memory = tensor.deviatoric(default.read_dataset(loc['P'],0))
in_file = default.read_dataset(loc['s_P'],0)
assert np.allclose(in_memory,in_file)
@ -273,7 +273,7 @@ class TestResult:
default.add_spherical('P')
loc = {'P': default.get_dataset_location('P'),
'p_P': default.get_dataset_location('p_P')}
in_memory = mechanics.spherical_part(default.read_dataset(loc['P'],0)).reshape(-1,1)
in_memory = tensor.spherical(default.read_dataset(loc['P'],0),False).reshape(-1,1)
in_file = default.read_dataset(loc['p_P'],0)
assert np.allclose(in_memory,in_file)

61
python/tests/test_mechanics.py
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@ -9,10 +9,6 @@ def stress_Cauchy(P,F):
return symmetric(sigma)
def deviatoric_part(T):
return T - np.eye(3)*spherical_part(T)
def eigenvalues(T_sym):
return np.linalg.eigvalsh(symmetric(T_sym))
@ -39,11 +35,6 @@ def rotational_part(T):
return polar_decomposition(T,'R')[0]
def spherical_part(T,tensor=False):
sph = np.trace(T)/3.0
return sph if not tensor else np.eye(3)*sph
def strain(F,t,m):
if t == 'V':
@ -92,31 +83,20 @@ def polar_decomposition(T,requested):
return tuple(output)
def equivalent_Mises(T_sym,s):
return np.sqrt(s*(np.sum(deviatoric_part(T_sym)**2.0)))
return np.sqrt(s*(np.sum(deviatoric(T_sym)**2.0)))
def deviatoric(T):
return T - np.eye(3)*np.trace(T)/3.0
class TestMechanics:
n = 1000
c = np.random.randint(n)
@pytest.mark.parametrize('vectorized,single',[(mechanics.deviatoric_part, deviatoric_part),
(mechanics.spherical_part, spherical_part)
])
def test_vectorize_1_arg_(self,vectorized,single):
print("done")
test_data_flat = np.random.rand(self.n,3,3)
test_data = np.reshape(test_data_flat,(self.n//10,10,3,3))
for i,v in enumerate(np.reshape(vectorized(test_data),vectorized(test_data_flat).shape)):
assert np.allclose(single(test_data_flat[i]),v)
@pytest.mark.parametrize('vectorized,single',[(mechanics.deviatoric_part, deviatoric_part),
(mechanics.maximum_shear, maximum_shear),
@pytest.mark.parametrize('vectorized,single',[(mechanics.maximum_shear, maximum_shear),
(mechanics.equivalent_stress_Mises, equivalent_stress_Mises),
(mechanics.equivalent_strain_Mises, equivalent_strain_Mises),
(mechanics.rotational_part, rotational_part),
(mechanics.spherical_part, spherical_part),
(mechanics.stretch_left, stretch_left),
(mechanics.stretch_right, stretch_right),
])
@ -155,11 +135,6 @@ class TestMechanics:
P = np.random.rand(self.n,3,3)
assert np.allclose(function(P,np.broadcast_to(np.eye(3),(self.n,3,3))),tensor.symmetric(P))
def test_deviatoric_part(self):
I_n = np.broadcast_to(np.eye(3),(self.n,3,3))
r = np.logical_not(I_n)*np.random.rand(self.n,3,3)
assert np.allclose(mechanics.deviatoric_part(I_n+r),r)
def test_polar_decomposition(self):
"""F = RU = VR."""
F = np.broadcast_to(np.eye(3),[self.n,3,3])*np.random.rand(self.n,3,3)
@ -201,34 +176,20 @@ class TestMechanics:
assert np.allclose(np.abs(np.linalg.det(mechanics.rotational_part(x))),
1.0)
def test_spherical_deviatoric_part(self):
"""Ensure that full tensor is sum of spherical and deviatoric part."""
x = np.random.rand(self.n,3,3)
sph = mechanics.spherical_part(x,True)
assert np.allclose(sph + mechanics.deviatoric_part(x),
x)
def test_deviatoric_Mises(self):
"""Ensure that Mises equivalent stress depends only on deviatoric part."""
x = np.random.rand(self.n,3,3)
full = mechanics.equivalent_stress_Mises(x)
dev = mechanics.equivalent_stress_Mises(mechanics.deviatoric_part(x))
dev = mechanics.equivalent_stress_Mises(tensor.deviatoric(x))
assert np.allclose(full,
dev)
def test_spherical_mapping(self):
"""Ensure that mapping to tensor is correct."""
@pytest.mark.parametrize('Mises_equivalent',[mechanics.equivalent_strain_Mises,
mechanics.equivalent_stress_Mises])
def test_spherical_Mises(self,Mises_equivalent):
"""Ensure that Mises equivalent strain/stress of spherical strain is 0."""
x = np.random.rand(self.n,3,3)
tnsr = mechanics.spherical_part(x,True)
scalar = mechanics.spherical_part(x)
assert np.allclose(np.linalg.det(tnsr),
scalar**3.0)
def test_spherical_Mises(self):
"""Ensure that Mises equivalent strain of spherical strain is 0."""
x = np.random.rand(self.n,3,3)
sph = mechanics.spherical_part(x,True)
assert np.allclose(mechanics.equivalent_strain_Mises(sph),
assert np.allclose(Mises_equivalent(tensor.spherical(x,True)),
0.0)
@ -240,5 +201,5 @@ class TestMechanics:
def test_spherical_no_shear(self):
"""Ensure that sherical stress has max shear of 0.0."""
A = mechanics.spherical_part(tensor.symmetric(np.random.rand(self.n,3,3)),True)
A = tensor.spherical(tensor.symmetric(np.random.rand(self.n,3,3)),True)
assert np.allclose(mechanics.maximum_shear(A),0.0)

34
python/tests/test_tensor.py
View File

@ -3,6 +3,8 @@ import numpy as np
from damask import tensor
def deviatoric(T):
return T - spherical(T)
def eigenvalues(T_sym):
return np.linalg.eigvalsh(symmetric(T_sym))
@ -20,6 +22,10 @@ def symmetric(T):
def transpose(T):
return T.T
def spherical(T,tensor=True):
sph = np.trace(T)/3.0
return sph if not tensor else np.eye(3)*sph
class TestTensor:
@ -27,10 +33,12 @@ class TestTensor:
c = np.random.randint(n)
@pytest.mark.parametrize('vectorized,single',[(tensor.eigenvalues , eigenvalues ),
(tensor.eigenvectors , eigenvectors ),
(tensor.symmetric , symmetric ),
(tensor.transpose , transpose ),
@pytest.mark.parametrize('vectorized,single',[(tensor.deviatoric, deviatoric),
(tensor.eigenvalues, eigenvalues),
(tensor.eigenvectors, eigenvectors),
(tensor.symmetric, symmetric),
(tensor.transpose, transpose),
(tensor.spherical, spherical),
])
def test_vectorize_1_arg(self,vectorized,single):
epsilon = np.random.rand(self.n,3,3)
@ -71,3 +79,21 @@ class TestTensor:
LRHS = np.linalg.det(tensor.eigenvectors(A,RHS=False))
RHS = np.linalg.det(tensor.eigenvectors(A,RHS=True))
assert np.allclose(np.abs(LRHS),RHS)
def test_spherical_deviatoric_part(self):
"""Ensure that full tensor is sum of spherical and deviatoric part."""
x = np.random.rand(self.n,3,3)
assert np.allclose(tensor.spherical(x,True) + tensor.deviatoric(x),
x)
def test_spherical_mapping(self):
"""Ensure that mapping to tensor is correct."""
x = np.random.rand(self.n,3,3)
tnsr = tensor.spherical(x,True)
scalar = tensor.spherical(x,False)
assert np.allclose(np.linalg.det(tnsr),
scalar**3.0)
def test_deviatoric(self):
I_n = np.broadcast_to(np.eye(3),(self.n,3,3))
r = np.logical_not(I_n)*np.random.rand(self.n,3,3)
assert np.allclose(tensor.deviatoric(I_n+r),r)