corrected sign definition of <111>{110} slip systems

Breaking change: Sign of shear differs
This commit is contained in:
Philip Eisenlohr 2023-09-14 16:45:24 -04:00 committed by Martin Diehl
parent 0396332b7b
commit a2b571c1fc
5 changed files with 123 additions and 123 deletions

@ -1 +1 @@
Subproject commit 9623d3d50e11a086e456b7fddc25fae67266911d Subproject commit b13ed2628e2ece45bcf433ce88483759b02c946e

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@ -785,25 +785,25 @@ class Crystal():
_kinematics: Dict[BravaisLattice, Dict[CrystalKinematics, List[np.ndarray]]] = { _kinematics: Dict[BravaisLattice, Dict[CrystalKinematics, List[np.ndarray]]] = {
'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],
[+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],
[+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],
[+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([ 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]])],
'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],
@ -820,18 +820,18 @@ class Crystal():
}, },
'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],
[-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,+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,+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([ 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],
@ -886,33 +886,33 @@ class Crystal():
}, },
'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([ 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([ 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([ 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],
[+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],
[+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],
[-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([ 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],
@ -951,61 +951,61 @@ class Crystal():
}, },
'tI': { 'tI': {
'slip': [np.array([ 'slip': [np.array([
[+0,+0,+1, +1,+0,+0], [ 0, 0,+1, +1, 0, 0],
[+0,+0,+1, +0,+1,+0]]), [ 0, 0,+1, 0,+1, 0]]),
np.array([ np.array([
[+0,+0,+1, +1,+1,+0], [ 0, 0,+1, +1,+1, 0],
[+0,+0,+1, -1,+1,+0]]), [ 0, 0,+1, -1,+1, 0]]),
np.array([ np.array([
[+0,+1,+0, +1,+0,+0], [ 0,+1, 0, +1, 0, 0],
[+1,+0,+0, +0,+1,+0]]), [+1, 0, 0, 0,+1, 0]]),
np.array([ np.array([
[+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([ 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]]),
np.array([ np.array([
[+0,+1,+1, +1,+0,+0], [ 0,+1,+1, +1, 0, 0],
[+0,-1,+1, +1,+0,+0], [ 0,-1,+1, +1, 0, 0],
[-1,+0,+1, +0,+1,+0], [-1, 0,+1, 0,+1, 0],
[+1,+0,+1, +0,+1,+0]]), [+1, 0,+1, 0,+1, 0]]),
np.array([ np.array([
[+0,+1,+0, +0,+0,+1], [ 0,+1, 0, 0, 0,+1],
[+1,+0,+0, +0,+0,+1]]), [+1, 0, 0, 0, 0,+1]]),
np.array([ np.array([
[+1,+1,+0, +0,+0,+1], [+1,+1, 0, 0, 0,+1],
[-1,+1,+0, +0,+0,+1]]), [-1,+1, 0, 0, 0,+1]]),
np.array([ np.array([
[+0,+1,-1, +0,+1,+1], [ 0,+1,-1, 0,+1,+1],
[+0,-1,-1, +0,-1,+1], [ 0,-1,-1, 0,-1,+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]]),
np.array([ 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],
[-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,+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]]),
np.array([ np.array([
[+1,+0,+0, +0,+1,+1], [+1, 0, 0, 0,+1,+1],
[+1,+0,+0, +0,+1,-1], [+1, 0, 0, 0,+1,-1],
[+0,+1,+0, +1,+0,+1], [ 0,+1, 0, +1, 0,+1],
[+0,+1,+0, +1,+0,-1]]), [ 0,+1, 0, +1, 0,-1]]),
np.array([ np.array([
[+0,+1,-1, +2,+1,+1], [ 0,+1,-1, +2,+1,+1],
[+0,-1,-1, +2,-1,+1], [ 0,-1,-1, +2,-1,+1],
[+1,+0,-1, +1,+2,+1], [+1, 0,-1, +1,+2,+1],
[-1,+0,-1, -1,+2,+1], [-1, 0,-1, -1,+2,+1],
[+0,+1,-1, -2,+1,+1], [ 0,+1,-1, -2,+1,+1],
[+0,-1,-1, -2,-1,+1], [ 0,-1,-1, -2,-1,+1],
[-1,+0,-1, -1,-2,+1], [-1, 0,-1, -1,-2,+1],
[+1,+0,-1, +1,-2,+1]]), [+1, 0,-1, +1,-2,+1]]),
np.array([ 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],

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@ -1,23 +1,23 @@
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@ -36,7 +36,7 @@
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0.3086066999241839 0.1543033499620919 -0.4629100498862758 0.3086066999241839 0.1543033499620919 -0.4629100498862758 0.3086066999241839 0.1543033499620919 -0.4629100498862758 0.3086066999241839 0.1543033499620919 -0.4629100498862758 0.3086066999241839 0.1543033499620919 -0.4629100498862758 0.3086066999241839 0.1543033499620919 -0.4629100498862758
0.3086066999241839 0.4629100498862758 0.15430334996209188 -0.3086066999241838 -0.4629100498862757 -0.15430334996209186 0.3086066999241839 0.4629100498862758 0.15430334996209188 0.3086066999241839 0.4629100498862758 0.15430334996209188 -0.3086066999241838 -0.4629100498862757 -0.15430334996209186 0.3086066999241839 0.4629100498862758 0.15430334996209188
-0.3086066999241838 0.4629100498862757 0.15430334996209188 -0.3086066999241838 0.4629100498862757 0.15430334996209188 0.3086066999241839 -0.4629100498862758 -0.1543033499620919 -0.3086066999241838 0.4629100498862757 0.1543033499620919 -0.3086066999241838 0.4629100498862757 0.1543033499620919 0.3086066999241839 -0.4629100498862758 -0.15430334996209194
0.3086066999241839 -0.4629100498862758 0.15430334996209194 0.3086066999241839 -0.4629100498862758 0.15430334996209194 0.3086066999241839 -0.4629100498862758 0.15430334996209194 0.3086066999241839 -0.4629100498862758 0.15430334996209194 0.3086066999241839 -0.4629100498862758 0.15430334996209194 0.3086066999241839 -0.4629100498862758 0.15430334996209194
-0.30860669992418377 -0.46291004988627565 0.15430334996209194 0.3086066999241839 0.4629100498862758 -0.154303349962092 0.3086066999241839 0.4629100498862758 -0.154303349962092 -0.30860669992418377 -0.46291004988627565 0.15430334996209194 0.3086066999241839 0.4629100498862758 -0.154303349962092 0.3086066999241839 0.4629100498862758 -0.154303349962092
-0.46291004988627565 -0.15430334996209186 -0.3086066999241837 0.4629100498862758 0.1543033499620919 0.3086066999241838 0.4629100498862758 0.1543033499620919 0.3086066999241838 -0.46291004988627565 -0.15430334996209186 -0.3086066999241837 0.4629100498862758 0.1543033499620919 0.3086066999241838 0.4629100498862758 0.1543033499620919 0.3086066999241838
@ -45,5 +45,5 @@
0.4629100498862758 0.1543033499620919 -0.3086066999241839 -0.4629100498862757 -0.15430334996209188 0.3086066999241838 0.4629100498862758 0.1543033499620919 -0.3086066999241839 0.4629100498862758 0.1543033499620919 -0.3086066999241839 -0.4629100498862757 -0.15430334996209188 0.3086066999241838 0.4629100498862758 0.1543033499620919 -0.3086066999241839
-0.46291004988627565 -0.3086066999241837 -0.1543033499620918 0.4629100498862758 0.3086066999241838 0.15430334996209188 0.4629100498862758 0.3086066999241838 0.15430334996209188 -0.46291004988627565 -0.3086066999241837 -0.1543033499620918 0.4629100498862758 0.3086066999241838 0.15430334996209188 0.4629100498862758 0.3086066999241838 0.15430334996209188
-0.4629100498862758 0.3086066999241839 0.15430334996209194 -0.4629100498862758 0.3086066999241839 0.15430334996209194 -0.4629100498862758 0.3086066999241839 0.15430334996209194 -0.4629100498862758 0.3086066999241839 0.15430334996209194 -0.4629100498862758 0.3086066999241839 0.15430334996209194 -0.4629100498862758 0.3086066999241839 0.15430334996209194
0.4629100498862757 -0.3086066999241838 0.1543033499620919 0.4629100498862757 -0.3086066999241838 0.1543033499620919 -0.4629100498862758 0.3086066999241839 -0.15430334996209194 0.4629100498862757 -0.3086066999241838 0.15430334996209188 0.4629100498862757 -0.3086066999241838 0.15430334996209188 -0.4629100498862758 0.3086066999241839 -0.1543033499620919
0.4629100498862758 0.3086066999241838 -0.154303349962092 -0.4629100498862757 -0.30860669992418377 0.15430334996209197 0.4629100498862758 0.3086066999241838 -0.154303349962092 0.4629100498862758 0.3086066999241838 -0.154303349962092 -0.4629100498862757 -0.30860669992418377 0.15430334996209197 0.4629100498862758 0.3086066999241838 -0.154303349962092

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@ -319,9 +319,7 @@ class TestOrientation:
eu = o.related(model).as_Euler_angles(degrees=True) eu = o.related(model).as_Euler_angles(degrees=True)
if update: if update:
coords = np.array([(1,i+1) for i,x in enumerate(eu)]) coords = np.array([(1,i+1) for i,x in enumerate(eu)])
Table(eu,{'Eulers':(3,)})\ Table({'Eulers':(3,)},eu).set('pos',coords).save(reference)
.add('pos',coords)\
.save(reference)
assert np.allclose(eu,Table.load(reference).get('Eulers')) assert np.allclose(eu,Table.load(reference).get('Eulers'))
def test_basis_real(self): def test_basis_real(self):
@ -369,8 +367,7 @@ class TestOrientation:
reference = res_path/f'{lattice}_{mode}.txt' reference = res_path/f'{lattice}_{mode}.txt'
P = O.Schmid(N_slip='*') if mode == 'slip' else O.Schmid(N_twin='*') 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({'Schmid':(3,3,)},P.reshape(-1,9)).save(reference)
table.save(reference)
assert np.allclose(P,Table.load(reference).get('Schmid')) assert np.allclose(P,Table.load(reference).get('Schmid'))
def test_Schmid_invalid(self): def test_Schmid_invalid(self):

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@ -123,18 +123,21 @@ module crystal
real(pREAL), dimension(3+3,CI_NSLIP), parameter :: & real(pREAL), dimension(3+3,CI_NSLIP), parameter :: &
CI_SYSTEMSLIP = reshape(real([& CI_SYSTEMSLIP = reshape(real([&
! <111>{110} systems ! <111>{110} systems
! Sign convention follows Table 1 of 10.1016/j.ijplas.2020.102733
! to allow for universal calculation of non-glide plane normal n1 = Rot(-m,60°) @ n
! The choice matters since Rot(-m,60°) @ n Rot(m,60°) @ -n ..!
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,-1, 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,-1, &
-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, &
! <111>{112} systems ! <111>{112} systems
-1, 1, 1, 2, 1, 1, & -1, 1, 1, 2, 1, 1, &
1, 1, 1, -2, 1, 1, & 1, 1, 1, -2, 1, 1, &