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Fix strain to stress conversion in TensorMap class, better TensorMap documentation #345

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merged 18 commits into from
Nov 6, 2024

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jadball
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@jadball jadball commented Oct 29, 2024

We now compute the Biot stress tensor in the crystal reference frame (ImageD11 convention), given a Biot strain tensor in the crystal reference frame (ImageD11 convention, the default obtained when calling ImageD11.grain.eps_crystal_matrix(dzero_cell)) and a 6x6 stiffness tensor (Voigt-compatible, IEEE 1976 lattice convention, what materialsproject.org gives you).

Thanks to @AxelHenningsson and @jonwright for discussions on this.
Partially fixes #194 - the dream is to move the Numba kernels from tensor_map.py into stress.py eventually

# rotate the strain tensor from ImageD11 coordinate system to IEEE 1976 coordinate system
# determine rotation matrix E
C_c = np.linalg.inv(B0).T
E = np.column_stack((C_c[:, 0], np.cross(C_c[:, 2], C_c[:, 0]), C_c[:, 2]))
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Looks extremely dodgy. Not a rotation.

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@jadball
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jadball commented Nov 5, 2024

The IEEE <-> ImageD11 rotation has now been removed from tensor_map.py - are you happy now to merge? The documentation changes are still good and I think the rest of the stress to strain conversion is still valid.

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Sure - go for it.

@jadball jadball merged commit d039e0c into FABLE-3DXRD:master Nov 6, 2024
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Stress/Strain elastic constants testing and validation
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