Merge branch 'orientation-polish' into restructure-Orientation-2
This commit is contained in:
Martin Diehl
commit
4e0b3abeec
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@ -340,7 +340,7 @@ class Crystal():
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"""
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_kinematics = {
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'cF': {
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'slip' : np.array([
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'slip' :[np.array([
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[+0,+1,-1, +1,+1,+1],
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[-1,+0,+1, +1,+1,+1],
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[+1,-1,+0, +1,+1,+1],
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@ -352,15 +352,15 @@ class Crystal():
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[+1,+1,+0, +1,-1,-1],
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[+0,+1,+1, -1,+1,-1],
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[+1,+0,-1, -1,+1,-1],
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[-1,-1,+0, -1,+1,-1],
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[-1,-1,+0, -1,+1,-1]]),
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np.array([
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[+1,+1,+0, +1,-1,+0],
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[+1,-1,+0, +1,+1,+0],
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[+1,+0,+1, +1,+0,-1],
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[+1,+0,-1, +1,+0,+1],
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[+0,+1,+1, +0,+1,-1],
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[+0,+1,-1, +0,+1,+1],
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],dtype=float),
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'twin' : np.array([
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[+0,+1,-1, +0,+1,+1]])],
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'twin' :[np.array([
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[-2, 1, 1, 1, 1, 1],
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[ 1,-2, 1, 1, 1, 1],
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[ 1, 1,-2, 1, 1, 1],
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@ -372,11 +372,10 @@ class Crystal():
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[ 1,-1, 2, 1,-1,-1],
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[ 2, 1,-1, -1, 1,-1],
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[-1,-2,-1, -1, 1,-1],
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[-1, 1, 2, -1, 1,-1],
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],dtype=float),
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[-1, 1, 2, -1, 1,-1]])]
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},
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'cI': {
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'slip' : np.array([
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'slip' :[np.array([
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[+1,-1,+1, +0,+1,+1],
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[-1,-1,+1, +0,+1,+1],
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[+1,+1,+1, +0,-1,+1],
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@ -388,7 +387,8 @@ class Crystal():
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[-1,+1,+1, +1,+1,+0],
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[-1,+1,-1, +1,+1,+0],
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[+1,+1,+1, -1,+1,+0],
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[+1,+1,-1, -1,+1,+0],
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[+1,+1,-1, -1,+1,+0]]),
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np.array([
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[-1,+1,+1, +2,+1,+1],
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[+1,+1,+1, -2,+1,+1],
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[+1,+1,-1, +2,-1,+1],
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@ -400,7 +400,8 @@ class Crystal():
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[+1,+1,-1, +1,+1,+2],
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[+1,-1,+1, -1,+1,+2],
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[-1,+1,+1, +1,-1,+2],
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[+1,+1,+1, +1,+1,-2],
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[+1,+1,+1, +1,+1,-2]]),
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np.array([
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[+1,+1,-1, +1,+2,+3],
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[+1,-1,+1, -1,+2,+3],
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[-1,+1,+1, +1,-2,+3],
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@ -424,9 +425,8 @@ class Crystal():
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[-1,+1,+1, +3,+2,+1],
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[+1,+1,+1, -3,+2,+1],
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[+1,+1,-1, +3,-2,+1],
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[+1,-1,+1, +3,+2,-1],
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],dtype=float),
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'twin' : np.array([
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[+1,-1,+1, +3,+2,-1]])],
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'twin' :[np.array([
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[-1, 1, 1, 2, 1, 1],
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[ 1, 1, 1, -2, 1, 1],
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[ 1, 1,-1, 2,-1, 1],
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@ -438,26 +438,29 @@ class Crystal():
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[ 1, 1,-1, 1, 1, 2],
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[ 1,-1, 1, -1, 1, 2],
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[-1, 1, 1, 1,-1, 2],
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[ 1, 1, 1, 1, 1,-2],
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],dtype=float),
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[ 1, 1, 1, 1, 1,-2]])]
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},
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'hP': {
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'slip' : np.array([
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'slip' :[np.array([
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[+2,-1,-1,+0, +0,+0,+0,+1],
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[-1,+2,-1,+0, +0,+0,+0,+1],
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[-1,-1,+2,+0, +0,+0,+0,+1],
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[-1,-1,+2,+0, +0,+0,+0,+1]]),
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np.array([
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[+2,-1,-1,+0, +0,+1,-1,+0],
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[-1,+2,-1,+0, -1,+0,+1,+0],
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[-1,-1,+2,+0, +1,-1,+0,+0],
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[-1,-1,+2,+0, +1,-1,+0,+0]]),
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np.array([
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[-1,+1,+0,+0, +1,+1,-2,+0],
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[+0,-1,+1,+0, -2,+1,+1,+0],
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[+1,+0,-1,+0, +1,-2,+1,+0],
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[+1,+0,-1,+0, +1,-2,+1,+0]]),
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np.array([
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[-1,+2,-1,+0, +1,+0,-1,+1],
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[-2,+1,+1,+0, +0,+1,-1,+1],
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[-1,-1,+2,+0, -1,+1,+0,+1],
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[+1,-2,+1,+0, -1,+0,+1,+1],
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[+2,-1,-1,+0, +0,-1,+1,+1],
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[+1,+1,-2,+0, +1,-1,+0,+1],
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[+1,+1,-2,+0, +1,-1,+0,+1]]),
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np.array([
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[-2,+1,+1,+3, +1,+0,-1,+1],
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[-1,-1,+2,+3, +1,+0,-1,+1],
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[-1,-1,+2,+3, +0,+1,-1,+1],
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@ -469,49 +472,51 @@ class Crystal():
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[+1,+1,-2,+3, +0,-1,+1,+1],
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[-1,+2,-1,+3, +0,-1,+1,+1],
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[-1,+2,-1,+3, +1,-1,+0,+1],
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[-2,+1,+1,+3, +1,-1,+0,+1],
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[-2,+1,+1,+3, +1,-1,+0,+1]]),
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np.array([
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[-1,-1,+2,+3, +1,+1,-2,+2],
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[+1,-2,+1,+3, -1,+2,-1,+2],
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[+2,-1,-1,+3, -2,+1,+1,+2],
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[+1,+1,-2,+3, -1,-1,+2,+2],
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[-1,+2,-1,+3, +1,-2,+1,+2],
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[-2,+1,+1,+3, +2,-1,-1,+2],
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],dtype=float),
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'twin' : np.array([
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[-2,+1,+1,+3, +2,-1,-1,+2]])],
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'twin' :[np.array([
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[-1, 0, 1, 1, 1, 0,-1, 2], # shear = (3-(c/a)^2)/(sqrt(3) c/a) <-10.1>{10.2}
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[ 0,-1, 1, 1, 0, 1,-1, 2],
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[ 1,-1, 0, 1, -1, 1, 0, 2],
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[ 1, 0,-1, 1, -1, 0, 1, 2],
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[ 0, 1,-1, 1, 0,-1, 1, 2],
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[-1, 1, 0, 1, 1,-1, 0, 2],
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[-1, 1, 0, 1, 1,-1, 0, 2]]),
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np.array([
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[-1,-1, 2, 6, 1, 1,-2, 1], # shear = 1/(c/a) <11.6>{-1-1.1}
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[ 1,-2, 1, 6, -1, 2,-1, 1],
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[ 2,-1,-1, 6, -2, 1, 1, 1],
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[ 1, 1,-2, 6, -1,-1, 2, 1],
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[-1, 2,-1, 6, 1,-2, 1, 1],
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[-2, 1, 1, 6, 2,-1,-1, 1],
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[-2, 1, 1, 6, 2,-1,-1, 1]]),
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np.array([
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[ 1, 0,-1,-2, 1, 0,-1, 1], # shear = (4(c/a)^2-9)/(4 sqrt(3) c/a) <10.-2>{10.1}
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[ 0, 1,-1,-2, 0, 1,-1, 1],
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[-1, 1, 0,-2, -1, 1, 0, 1],
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[-1, 0, 1,-2, -1, 0, 1, 1],
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[ 0,-1, 1,-2, 0,-1, 1, 1],
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[ 1,-1, 0,-2, 1,-1, 0, 1],
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[ 1,-1, 0,-2, 1,-1, 0, 1]]),
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np.array([
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[ 1, 1,-2,-3, 1, 1,-2, 2], # shear = 2((c/a)^2-2)/(3 c/a) <11.-3>{11.2}
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[-1, 2,-1,-3, -1, 2,-1, 2],
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[-2, 1, 1,-3, -2, 1, 1, 2],
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[-1,-1, 2,-3, -1,-1, 2, 2],
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[ 1,-2, 1,-3, 1,-2, 1, 2],
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[ 2,-1,-1,-3, 2,-1,-1, 2],
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],dtype=float),
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[ 2,-1,-1,-3, 2,-1,-1, 2]])]
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},
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}
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master = _kinematics[self.lattice][mode]
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if self.lattice == 'hP':
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return {'direction':util.Bravais_to_Miller(uvtw=master[:,0:4]),
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'plane': util.Bravais_to_Miller(hkil=master[:,4:8])}
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return {'direction':[util.Bravais_to_Miller(uvtw=m[:,0:4]) for m in master],
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'plane': [util.Bravais_to_Miller(hkil=m[:,4:8]) for m in master]}
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else:
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return {'direction':master[:,0:3],
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'plane': master[:,3:6]}
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return {'direction':[m[:,0:3] for m in master],
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'plane': [m[:,3:6] for m in master]}
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def relation_operations(self,model):
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@ -854,14 +854,15 @@ class Orientation(Rotation,Crystal):
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@ np.broadcast_to(v,self.shape+v.shape)
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def Schmid(self,mode):
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def Schmid(self,*,N_slip=None,N_twin=None):
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u"""
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Calculate Schmid matrix P = d ⨂ n in the lab frame for given lattice shear kinematics.
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Calculate Schmid matrix P = d ⨂ n in the lab frame for selected deformation systems.
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Parameters
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----------
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mode : {'slip', 'twin'}
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Deformation mode.
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N_slip|N_twin : iterable of int
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Number of deformation systems per deformation system.
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Use '*'. to select all.
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Returns
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-------
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@ -876,14 +877,22 @@ class Orientation(Rotation,Crystal):
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>>> import damask
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>>> import numpy as np
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>>> np.set_printoptions(3,suppress=True,floatmode='fixed')
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>>> damask.Orientation.from_Eulers(phi=[0,45,0],degrees=True,lattice='cF').Schmid('slip')[0]
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>>> O = damask.Orientation.from_Euler_angles(phi=[0,45,0],degrees=True,lattice='cF')
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>>> O.Schmid(N_slip=[1])
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array([[ 0.000, 0.000, 0.000],
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[ 0.577, -0.000, 0.816],
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[ 0.000, 0.000, 0.000]])
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"""
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d = self.to_frame(uvw=self.kinematics(mode)['direction'])
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p = self.to_frame(hkl=self.kinematics(mode)['plane'])
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if (N_slip is not None) ^ (N_twin is None):
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raise KeyError('Specify either "N_slip" or "N_twin"')
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kinematics = self.kinematics('slip' if N_twin is None else 'twin')
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active = N_slip if N_twin is None else N_twin
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if active == '*': active = [len(a) for a in kinematics]
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d = self.to_frame(uvw=np.vstack([kinematics['direction'][i][:n] for i,n in enumerate(active)]))
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p = self.to_frame(hkl=np.vstack([kinematics['plane'][i][:n] for i,n in enumerate(active)]))
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P = np.einsum('...i,...j',d/np.linalg.norm(d,axis=1,keepdims=True),
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p/np.linalg.norm(p,axis=1,keepdims=True))
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@ -440,10 +440,10 @@ class TestOrientation:
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@pytest.mark.parametrize('lattice',['hP','cI','cF']) #tI not included yet
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def test_Schmid(self,update,ref_path,lattice):
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L = Orientation(lattice=lattice)
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O = Orientation(lattice=lattice) # noqa
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for mode in ['slip','twin']:
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reference = ref_path/f'{lattice}_{mode}.txt'
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P = L.Schmid(mode)
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P = O.Schmid(N_slip='*') if mode == 'slip' else O.Schmid(N_twin='*')
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if update:
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table = Table(P.reshape(-1,9),{'Schmid':(3,3,)})
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table.save(reference)
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@ -453,7 +453,6 @@ class TestOrientation:
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def test_Schmid_vectorize(self,lattice):
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O = Orientation.from_random(shape=4,lattice=lattice) # noqa
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for mode in ['slip','twin']:
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P = O.Schmid(mode)
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print(P.shape)
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P = O.Schmid(N_slip='*') if mode == 'slip' else O.Schmid(N_twin='*')
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for i in range(4):
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assert np.allclose(Orientation(rotation=O[i],lattice=lattice).Schmid(mode),P[:,i])
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