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Fix/fit_single_crystal_parameters demo - #458

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fix/fit_single_crystal_parameters
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Fix/fit_single_crystal_parameters demo#458
Gbowker wants to merge 3 commits into
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fix/fit_single_crystal_parameters

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See issue #445

This demo submits and runs fine in the develop build, however, when looking at the post-processed result, the model cannot converge on the right single crystal parameters, as shown in the plot:
image

First things first, the necking region is included in the data - surely this is affecting the convergence? In commit 3dae49b I've removed this necking region from the data.

@aplowman has already also fixed one part - the jacobian in formable:

- left = jac_prod + damping * np.diag(jac_prod)+ left = jac_prod + damping * np.diag(np.diag(jac_prod))

This makes the simulation actually start to converge:
image

However there is another problem - sensible parameter bounds have to be put into the code so that when searching the parameter space, parameters can't go negative as appears to be happening for the CRSS:

  • Surely we can set bounds on the entire parameter space?
  • @samuel-hg-engel says it might hit a "wall" where its in a local minima and wants to decend further to the global minima but can't becuase it has to go -ve to do so.

@Gbowker
Gbowker requested a review from a team as a code ownerNovember 7, 2025 13:58
@aplowman
aplowman marked this pull request as draft November 14, 2025 22:31
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@Gbowker