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Scheil solidification result problem: fraction liquid is always 1 #469

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amy6chunxiao opened this issue Apr 17, 2023 · 4 comments
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@amy6chunxiao
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amy6chunxiao commented Apr 17, 2023

Hi, I load the following database and do Scheil solidification, but only find the liquid phase.

https://github.com/materialsgenomefoundation/2021-workshop-material/blob/main/pycalphad/databases/mc_al_v2.032.pycalphad.tdb

My code is as follows:
image

The phase fraction is:
test

@richardotis
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Try adding vacancies (VA) to comps. Most of the solid solution phases in that database include an empty interstitial sublattice, and pycalphad will not load them unless vacancies are explicitly included.

@pycalphad pycalphad deleted a comment from amy6chunxiao Apr 17, 2023
@amy6chunxiao
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Hi, when I add (VA) to comps, it raises an error:

ValueError: Number of interstitial sublattices for the disordered phase (1) and the ordered phase (5) do not match. Got substitutional sublattice indices of [].

@richardotis
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Try excluding the GP_MAT phase.

phases = sorted(set(dbf.phases.keys()) - {'GP_MAT'})

@amy6chunxiao
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amy6chunxiao commented Sep 16, 2023 via email

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