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DAMASK_EICMD
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simplified/separated

This commit is contained in:
Martin Diehl 2021-06-03 09:15:12 +02:00
parent 87e94b6cf4
commit 3b150ddbea
2 changed files with 57 additions and 60 deletions
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59
python/damask/_lattice.py
View File

@ -2,6 +2,7 @@ import numpy as np
from . import util
from . import LatticeFamily
from . import Rotation
lattice_symmetries = {
'aP': 'triclinic',
@ -205,6 +206,56 @@ class Lattice(LatticeFamily):
'plane': master[:,3:6]}
def relation_operations(self,model):
"""
Crystallographic orientation relationships for phase transformations.
Parameters
----------
model : str
Name of orientation relationship.
Returns
-------
operations : (string, damask.Rotation)
Rotations characterizing the orientation relationship.
References
----------
S. Morito et al., Journal of Alloys and Compounds 577:s587-s592, 2013
https://doi.org/10.1016/j.jallcom.2012.02.004
K. Kitahara et al., Acta Materialia 54(5):1279-1288, 2006
https://doi.org/10.1016/j.actamat.2005.11.001
Y. He et al., Journal of Applied Crystallography 39:72-81, 2006
https://doi.org/10.1107/S0021889805038276
H. Kitahara et al., Materials Characterization 54(4-5):378-386, 2005
https://doi.org/10.1016/j.matchar.2004.12.015
Y. He et al., Acta Materialia 53(4):1179-1190, 2005
https://doi.org/10.1016/j.actamat.2004.11.021
"""
if model not in self.orientation_relationships:
raise KeyError(f'unknown orientation relationship "{model}"')
r = self.orientation_relationships[model]
sl = self.lattice
ol = (set(r)-{sl}).pop()
m = r[sl]
o = r[ol]
p_,_p = np.zeros(m.shape[:-1]+(3,)),np.zeros(o.shape[:-1]+(3,))
p_[...,0,:] = m[...,0,:] if m.shape[-1] == 3 else util.Bravais_to_Miller(uvtw=m[...,0,0:4])
p_[...,1,:] = m[...,1,:] if m.shape[-1] == 3 else util.Bravais_to_Miller(hkil=m[...,1,0:4])
_p[...,0,:] = o[...,0,:] if o.shape[-1] == 3 else util.Bravais_to_Miller(uvtw=o[...,0,0:4])
_p[...,1,:] = o[...,1,:] if o.shape[-1] == 3 else util.Bravais_to_Miller(hkil=o[...,1,0:4])
return (ol,Rotation.from_parallel(p_,_p))
@property
def orientation_relationships(self):
return {k:v for k,v in self._orientation_relationships.items() if self.lattice in v}
@ -620,12 +671,12 @@ class Lattice(LatticeFamily):
[[ -1, 1, -1],[ 1, 1, 0]],
[[ 1, 1, 1],[ 1, -1, 0]],
[[ 1, 1, -1],[ 1, -1, 0]],
[[ 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],[ 0, 1, 1]],
[[ 1, 1, -1],[ 0, 1, 1]],
[[ -1, 1, 1],[ 0, -1, 1]],
@ -636,12 +687,12 @@ class Lattice(LatticeFamily):
[[ -1, -1, 2, 0],[ 0, 0, 0, 1]],
[[ -1, 2, -1, 0],[ 0, 0, 0, 1]],
[[ -1, -1, 2, 0],[ 0, 0, 0, 1]],
[[ -1, 2, -1, 0],[ 0, 0, 0, 1]],
[[ -1, -1, 2, 0],[ 0, 0, 0, 1]],
[[ -1, 2, -1, 0],[ 0, 0, 0, 1]],
[[ -1, -1, 2, 0],[ 0, 0, 0, 1]],
[[ -1, 2, -1, 0],[ 0, 0, 0, 1]],
[[ -1, -1, 2, 0],[ 0, 0, 0, 1]],
[[ -1, 2, -1, 0],[ 0, 0, 0, 1]],

58
python/damask/_orientation.py
View File

@ -167,7 +167,7 @@ class Orientation(Rotation):
self.to_frame = l.to_frame
self.kinematics = l.kinematics
self.orientation_relationships = l.orientation_relationships
self.relation_operations = l.relation_operations
else:
raise KeyError(f'no valid family or lattice')
@ -866,60 +866,6 @@ class Orientation(Rotation):
@ np.broadcast_to(P,self.shape+P.shape)
def relation_operations(self,model,return_lattice=False):
"""
Crystallographic orientation relationships for phase transformations.
Parameters
----------
model : str
Name of orientation relationship.
return_lattice : bool, optional
Return the target lattice in addition.
Returns
-------
operations : Rotations
Rotations characterizing the orientation relationship.
References
----------
S. Morito et al., Journal of Alloys and Compounds 577:s587-s592, 2013
https://doi.org/10.1016/j.jallcom.2012.02.004
K. Kitahara et al., Acta Materialia 54(5):1279-1288, 2006
https://doi.org/10.1016/j.actamat.2005.11.001
Y. He et al., Journal of Applied Crystallography 39:72-81, 2006
https://doi.org/10.1107/S0021889805038276
H. Kitahara et al., Materials Characterization 54(4-5):378-386, 2005
https://doi.org/10.1016/j.matchar.2004.12.015
Y. He et al., Acta Materialia 53(4):1179-1190, 2005
https://doi.org/10.1016/j.actamat.2004.11.021
"""
if model not in self.orientation_relationships:
raise KeyError(f'unknown orientation relationship "{model}"')
r = self.orientation_relationships[model]
sl = self.lattice
ol = (set(r)-{sl}).pop()
m = r[sl]
o = r[ol]
p_,_p = np.zeros(m.shape[:-1]+(3,)),np.zeros(o.shape[:-1]+(3,))
p_[...,0,:] = m[...,0,:] if m.shape[-1] == 3 else util.Bravais_to_Miller(uvtw=m[...,0,0:4])
p_[...,1,:] = m[...,1,:] if m.shape[-1] == 3 else util.Bravais_to_Miller(hkil=m[...,1,0:4])
_p[...,0,:] = o[...,0,:] if o.shape[-1] == 3 else util.Bravais_to_Miller(uvtw=o[...,0,0:4])
_p[...,1,:] = o[...,1,:] if o.shape[-1] == 3 else util.Bravais_to_Miller(hkil=o[...,1,0:4])
return (Rotation.from_parallel(p_,_p),ol) \
if return_lattice else \
Rotation.from_parallel(p_,_p)
def related(self,model):
"""
Orientations derived from the given relationship.
@ -928,7 +874,7 @@ class Orientation(Rotation):
is added to the left of the Rotation array.
"""
o,lattice = self.relation_operations(model,return_lattice=True)
lattice,o = self.relation_operations(model)
target = Orientation(lattice=lattice)
o = o.broadcast_to(o.shape+self.shape,mode='right')
return self.copy(rotation=o*Rotation(self.quaternion).broadcast_to(o.shape,mode='left'),