223031012
/
DAMASK_EICMD
mirror of https://github.com/achalhp/DAMASK_EICMD.git
1
0
Fork 0
Code Issues Projects Releases Wiki Activity

Merge branch 'orientation-polish' into restructure-Orientation-2

This commit is contained in:
Martin Diehl 2021-08-08 10:19:53 +02:00
parent 4e6663d258 b5be4c3fa5
commit 4e0b3abeec
3 changed files with 187 additions and 174 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

71
python/damask/_crystal.py
View File

@ -340,7 +340,7 @@ class Crystal():
""" """
_kinematics = { _kinematics = {
'cF': { 'cF': {
'slip' : np.array([ 'slip' :[np.array([
[+0,+1,-1, +1,+1,+1], [+0,+1,-1, +1,+1,+1],
[-1,+0,+1, +1,+1,+1], [-1,+0,+1, +1,+1,+1],
[+1,-1,+0, +1,+1,+1], [+1,-1,+0, +1,+1,+1],
@ -352,15 +352,15 @@ class Crystal():
[+1,+1,+0, +1,-1,-1], [+1,+1,+0, +1,-1,-1],
[+0,+1,+1, -1,+1,-1], [+0,+1,+1, -1,+1,-1],
[+1,+0,-1, -1,+1,-1], [+1,+0,-1, -1,+1,-1],
[-1,-1,+0, -1,+1,-1], [-1,-1,+0, -1,+1,-1]]),
np.array([
[+1,+1,+0, +1,-1,+0], [+1,+1,+0, +1,-1,+0],
[+1,-1,+0, +1,+1,+0], [+1,-1,+0, +1,+1,+0],
[+1,+0,+1, +1,+0,-1], [+1,+0,+1, +1,+0,-1],
[+1,+0,-1, +1,+0,+1], [+1,+0,-1, +1,+0,+1],
[+0,+1,+1, +0,+1,-1], [+0,+1,+1, +0,+1,-1],
[+0,+1,-1, +0,+1,+1], [+0,+1,-1, +0,+1,+1]])],
],dtype=float), 'twin' :[np.array([
'twin' : np.array([
[-2, 1, 1, 1, 1, 1], [-2, 1, 1, 1, 1, 1],
[ 1,-2, 1, 1, 1, 1], [ 1,-2, 1, 1, 1, 1],
[ 1, 1,-2, 1, 1, 1], [ 1, 1,-2, 1, 1, 1],
@ -372,11 +372,10 @@ class Crystal():
[ 1,-1, 2, 1,-1,-1], [ 1,-1, 2, 1,-1,-1],
[ 2, 1,-1, -1, 1,-1], [ 2, 1,-1, -1, 1,-1],
[-1,-2,-1, -1, 1,-1], [-1,-2,-1, -1, 1,-1],
[-1, 1, 2, -1, 1,-1], [-1, 1, 2, -1, 1,-1]])]
],dtype=float),
}, },
'cI': { 'cI': {
'slip' : np.array([ 'slip' :[np.array([
[+1,-1,+1, +0,+1,+1], [+1,-1,+1, +0,+1,+1],
[-1,-1,+1, +0,+1,+1], [-1,-1,+1, +0,+1,+1],
[+1,+1,+1, +0,-1,+1], [+1,+1,+1, +0,-1,+1],
@ -388,7 +387,8 @@ class Crystal():
[-1,+1,+1, +1,+1,+0], [-1,+1,+1, +1,+1,+0],
[-1,+1,-1, +1,+1,+0], [-1,+1,-1, +1,+1,+0],
[+1,+1,+1, -1,+1,+0], [+1,+1,+1, -1,+1,+0],
[+1,+1,-1, -1,+1,+0], [+1,+1,-1, -1,+1,+0]]),
np.array([
[-1,+1,+1, +2,+1,+1], [-1,+1,+1, +2,+1,+1],
[+1,+1,+1, -2,+1,+1], [+1,+1,+1, -2,+1,+1],
[+1,+1,-1, +2,-1,+1], [+1,+1,-1, +2,-1,+1],
@ -400,7 +400,8 @@ class Crystal():
[+1,+1,-1, +1,+1,+2], [+1,+1,-1, +1,+1,+2],
[+1,-1,+1, -1,+1,+2], [+1,-1,+1, -1,+1,+2],
[-1,+1,+1, +1,-1,+2], [-1,+1,+1, +1,-1,+2],
[+1,+1,+1, +1,+1,-2], [+1,+1,+1, +1,+1,-2]]),
np.array([
[+1,+1,-1, +1,+2,+3], [+1,+1,-1, +1,+2,+3],
[+1,-1,+1, -1,+2,+3], [+1,-1,+1, -1,+2,+3],
[-1,+1,+1, +1,-2,+3], [-1,+1,+1, +1,-2,+3],
@ -424,9 +425,8 @@ class Crystal():
[-1,+1,+1, +3,+2,+1], [-1,+1,+1, +3,+2,+1],
[+1,+1,+1, -3,+2,+1], [+1,+1,+1, -3,+2,+1],
[+1,+1,-1, +3,-2,+1], [+1,+1,-1, +3,-2,+1],
[+1,-1,+1, +3,+2,-1], [+1,-1,+1, +3,+2,-1]])],
],dtype=float), 'twin' :[np.array([
'twin' : np.array([
[-1, 1, 1, 2, 1, 1], [-1, 1, 1, 2, 1, 1],
[ 1, 1, 1, -2, 1, 1], [ 1, 1, 1, -2, 1, 1],
[ 1, 1,-1, 2,-1, 1], [ 1, 1,-1, 2,-1, 1],
@ -438,26 +438,29 @@ class Crystal():
[ 1, 1,-1, 1, 1, 2], [ 1, 1,-1, 1, 1, 2],
[ 1,-1, 1, -1, 1, 2], [ 1,-1, 1, -1, 1, 2],
[-1, 1, 1, 1,-1, 2], [-1, 1, 1, 1,-1, 2],
[ 1, 1, 1, 1, 1,-2], [ 1, 1, 1, 1, 1,-2]])]
],dtype=float),
}, },
'hP': { 'hP': {
'slip' : np.array([ 'slip' :[np.array([
[+2,-1,-1,+0, +0,+0,+0,+1], [+2,-1,-1,+0, +0,+0,+0,+1],
[-1,+2,-1,+0, +0,+0,+0,+1], [-1,+2,-1,+0, +0,+0,+0,+1],
[-1,-1,+2,+0, +0,+0,+0,+1], [-1,-1,+2,+0, +0,+0,+0,+1]]),
np.array([
[+2,-1,-1,+0, +0,+1,-1,+0], [+2,-1,-1,+0, +0,+1,-1,+0],
[-1,+2,-1,+0, -1,+0,+1,+0], [-1,+2,-1,+0, -1,+0,+1,+0],
[-1,-1,+2,+0, +1,-1,+0,+0], [-1,-1,+2,+0, +1,-1,+0,+0]]),
np.array([
[-1,+1,+0,+0, +1,+1,-2,+0], [-1,+1,+0,+0, +1,+1,-2,+0],
[+0,-1,+1,+0, -2,+1,+1,+0], [+0,-1,+1,+0, -2,+1,+1,+0],
[+1,+0,-1,+0, +1,-2,+1,+0], [+1,+0,-1,+0, +1,-2,+1,+0]]),
np.array([
[-1,+2,-1,+0, +1,+0,-1,+1], [-1,+2,-1,+0, +1,+0,-1,+1],
[-2,+1,+1,+0, +0,+1,-1,+1], [-2,+1,+1,+0, +0,+1,-1,+1],
[-1,-1,+2,+0, -1,+1,+0,+1], [-1,-1,+2,+0, -1,+1,+0,+1],
[+1,-2,+1,+0, -1,+0,+1,+1], [+1,-2,+1,+0, -1,+0,+1,+1],
[+2,-1,-1,+0, +0,-1,+1,+1], [+2,-1,-1,+0, +0,-1,+1,+1],
[+1,+1,-2,+0, +1,-1,+0,+1], [+1,+1,-2,+0, +1,-1,+0,+1]]),
np.array([
[-2,+1,+1,+3, +1,+0,-1,+1], [-2,+1,+1,+3, +1,+0,-1,+1],
[-1,-1,+2,+3, +1,+0,-1,+1], [-1,-1,+2,+3, +1,+0,-1,+1],
[-1,-1,+2,+3, +0,+1,-1,+1], [-1,-1,+2,+3, +0,+1,-1,+1],
@ -469,49 +472,51 @@ class Crystal():
[+1,+1,-2,+3, +0,-1,+1,+1], [+1,+1,-2,+3, +0,-1,+1,+1],
[-1,+2,-1,+3, +0,-1,+1,+1], [-1,+2,-1,+3, +0,-1,+1,+1],
[-1,+2,-1,+3, +1,-1,+0,+1], [-1,+2,-1,+3, +1,-1,+0,+1],
[-2,+1,+1,+3, +1,-1,+0,+1], [-2,+1,+1,+3, +1,-1,+0,+1]]),
np.array([
[-1,-1,+2,+3, +1,+1,-2,+2], [-1,-1,+2,+3, +1,+1,-2,+2],
[+1,-2,+1,+3, -1,+2,-1,+2], [+1,-2,+1,+3, -1,+2,-1,+2],
[+2,-1,-1,+3, -2,+1,+1,+2], [+2,-1,-1,+3, -2,+1,+1,+2],
[+1,+1,-2,+3, -1,-1,+2,+2], [+1,+1,-2,+3, -1,-1,+2,+2],
[-1,+2,-1,+3, +1,-2,+1,+2], [-1,+2,-1,+3, +1,-2,+1,+2],
[-2,+1,+1,+3, +2,-1,-1,+2], [-2,+1,+1,+3, +2,-1,-1,+2]])],
],dtype=float), 'twin' :[np.array([
'twin' : np.array([
[-1, 0, 1, 1, 1, 0,-1, 2], # shear = (3-(c/a)^2)/(sqrt(3) c/a) <-10.1>{10.2} [-1, 0, 1, 1, 1, 0,-1, 2], # shear = (3-(c/a)^2)/(sqrt(3) c/a) <-10.1>{10.2}
[ 0,-1, 1, 1, 0, 1,-1, 2], [ 0,-1, 1, 1, 0, 1,-1, 2],
[ 1,-1, 0, 1, -1, 1, 0, 2], [ 1,-1, 0, 1, -1, 1, 0, 2],
[ 1, 0,-1, 1, -1, 0, 1, 2], [ 1, 0,-1, 1, -1, 0, 1, 2],
[ 0, 1,-1, 1, 0,-1, 1, 2], [ 0, 1,-1, 1, 0,-1, 1, 2],
[-1, 1, 0, 1, 1,-1, 0, 2], [-1, 1, 0, 1, 1,-1, 0, 2]]),
np.array([
[-1,-1, 2, 6, 1, 1,-2, 1], # shear = 1/(c/a) <11.6>{-1-1.1} [-1,-1, 2, 6, 1, 1,-2, 1], # shear = 1/(c/a) <11.6>{-1-1.1}
[ 1,-2, 1, 6, -1, 2,-1, 1], [ 1,-2, 1, 6, -1, 2,-1, 1],
[ 2,-1,-1, 6, -2, 1, 1, 1], [ 2,-1,-1, 6, -2, 1, 1, 1],
[ 1, 1,-2, 6, -1,-1, 2, 1], [ 1, 1,-2, 6, -1,-1, 2, 1],
[-1, 2,-1, 6, 1,-2, 1, 1], [-1, 2,-1, 6, 1,-2, 1, 1],
[-2, 1, 1, 6, 2,-1,-1, 1], [-2, 1, 1, 6, 2,-1,-1, 1]]),
np.array([
[ 1, 0,-1,-2, 1, 0,-1, 1], # shear = (4(c/a)^2-9)/(4 sqrt(3) c/a) <10.-2>{10.1} [ 1, 0,-1,-2, 1, 0,-1, 1], # shear = (4(c/a)^2-9)/(4 sqrt(3) c/a) <10.-2>{10.1}
[ 0, 1,-1,-2, 0, 1,-1, 1], [ 0, 1,-1,-2, 0, 1,-1, 1],
[-1, 1, 0,-2, -1, 1, 0, 1], [-1, 1, 0,-2, -1, 1, 0, 1],
[-1, 0, 1,-2, -1, 0, 1, 1], [-1, 0, 1,-2, -1, 0, 1, 1],
[ 0,-1, 1,-2, 0,-1, 1, 1], [ 0,-1, 1,-2, 0,-1, 1, 1],
[ 1,-1, 0,-2, 1,-1, 0, 1], [ 1,-1, 0,-2, 1,-1, 0, 1]]),
np.array([
[ 1, 1,-2,-3, 1, 1,-2, 2], # shear = 2((c/a)^2-2)/(3 c/a) <11.-3>{11.2} [ 1, 1,-2,-3, 1, 1,-2, 2], # shear = 2((c/a)^2-2)/(3 c/a) <11.-3>{11.2}
[-1, 2,-1,-3, -1, 2,-1, 2], [-1, 2,-1,-3, -1, 2,-1, 2],
[-2, 1, 1,-3, -2, 1, 1, 2], [-2, 1, 1,-3, -2, 1, 1, 2],
[-1,-1, 2,-3, -1,-1, 2, 2], [-1,-1, 2,-3, -1,-1, 2, 2],
[ 1,-2, 1,-3, 1,-2, 1, 2], [ 1,-2, 1,-3, 1,-2, 1, 2],
[ 2,-1,-1,-3, 2,-1,-1, 2], [ 2,-1,-1,-3, 2,-1,-1, 2]])]
],dtype=float),
}, },
} }
master = _kinematics[self.lattice][mode] master = _kinematics[self.lattice][mode]
if self.lattice == 'hP': if self.lattice == 'hP':
return {'direction':util.Bravais_to_Miller(uvtw=master[:,0:4]), return {'direction':[util.Bravais_to_Miller(uvtw=m[:,0:4]) for m in master],
'plane': util.Bravais_to_Miller(hkil=master[:,4:8])} 'plane': [util.Bravais_to_Miller(hkil=m[:,4:8]) for m in master]}
else: else:
return {'direction':master[:,0:3], return {'direction':[m[:,0:3] for m in master],
'plane': master[:,3:6]} 'plane': [m[:,3:6] for m in master]}
def relation_operations(self,model): def relation_operations(self,model):

23
python/damask/_orientation.py
View File

@ -854,14 +854,15 @@ class Orientation(Rotation,Crystal):
@ np.broadcast_to(v,self.shape+v.shape) @ np.broadcast_to(v,self.shape+v.shape)
def Schmid(self,mode): def Schmid(self,*,N_slip=None,N_twin=None):
u""" u"""
Calculate Schmid matrix P = d ⨂ n in the lab frame for given lattice shear kinematics. Calculate Schmid matrix P = d ⨂ n in the lab frame for selected deformation systems.
Parameters Parameters
---------- ----------
mode : {'slip', 'twin'} N_slip|N_twin : iterable of int
Deformation mode. Number of deformation systems per deformation system.
Use '*'. to select all.
Returns Returns
------- -------
@ -876,14 +877,22 @@ class Orientation(Rotation,Crystal):
>>> import damask >>> import damask
>>> import numpy as np >>> import numpy as np
>>> np.set_printoptions(3,suppress=True,floatmode='fixed') >>> np.set_printoptions(3,suppress=True,floatmode='fixed')
>>> damask.Orientation.from_Eulers(phi=[0,45,0],degrees=True,lattice='cF').Schmid('slip')[0] >>> O = damask.Orientation.from_Euler_angles(phi=[0,45,0],degrees=True,lattice='cF')
>>> O.Schmid(N_slip=[1])
array([[ 0.000, 0.000, 0.000], array([[ 0.000, 0.000, 0.000],
[ 0.577, -0.000, 0.816], [ 0.577, -0.000, 0.816],
[ 0.000, 0.000, 0.000]]) [ 0.000, 0.000, 0.000]])
""" """
d = self.to_frame(uvw=self.kinematics(mode)['direction']) if (N_slip is not None) ^ (N_twin is None):
p = self.to_frame(hkl=self.kinematics(mode)['plane']) raise KeyError('Specify either "N_slip" or "N_twin"')
kinematics = self.kinematics('slip' if N_twin is None else 'twin')
active = N_slip if N_twin is None else N_twin
if active == '*': active = [len(a) for a in kinematics]
d = self.to_frame(uvw=np.vstack([kinematics['direction'][i][:n] for i,n in enumerate(active)]))
p = self.to_frame(hkl=np.vstack([kinematics['plane'][i][:n] for i,n in enumerate(active)]))
P = np.einsum('...i,...j',d/np.linalg.norm(d,axis=1,keepdims=True), P = np.einsum('...i,...j',d/np.linalg.norm(d,axis=1,keepdims=True),
p/np.linalg.norm(p,axis=1,keepdims=True)) p/np.linalg.norm(p,axis=1,keepdims=True))

7
python/tests/test_Orientation.py
View File

@ -440,10 +440,10 @@ class TestOrientation:
@pytest.mark.parametrize('lattice',['hP','cI','cF']) #tI not included yet @pytest.mark.parametrize('lattice',['hP','cI','cF']) #tI not included yet
def test_Schmid(self,update,ref_path,lattice): def test_Schmid(self,update,ref_path,lattice):
L = Orientation(lattice=lattice) O = Orientation(lattice=lattice) # noqa
for mode in ['slip','twin']: for mode in ['slip','twin']:
reference = ref_path/f'{lattice}_{mode}.txt' reference = ref_path/f'{lattice}_{mode}.txt'
P = L.Schmid(mode) P = O.Schmid(N_slip='*') if mode == 'slip' else O.Schmid(N_twin='*')
if update: if update:
table = Table(P.reshape(-1,9),{'Schmid':(3,3,)}) table = Table(P.reshape(-1,9),{'Schmid':(3,3,)})
table.save(reference) table.save(reference)
@ -453,7 +453,6 @@ class TestOrientation:
def test_Schmid_vectorize(self,lattice): def test_Schmid_vectorize(self,lattice):
O = Orientation.from_random(shape=4,lattice=lattice) # noqa O = Orientation.from_random(shape=4,lattice=lattice) # noqa
for mode in ['slip','twin']: for mode in ['slip','twin']:
P = O.Schmid(mode) P = O.Schmid(N_slip='*') if mode == 'slip' else O.Schmid(N_twin='*')
print(P.shape)
for i in range(4): for i in range(4):
assert np.allclose(Orientation(rotation=O[i],lattice=lattice).Schmid(mode),P[:,i]) assert np.allclose(Orientation(rotation=O[i],lattice=lattice).Schmid(mode),P[:,i])