ENH: [Breaking] Equilibrium solidification does a binary search for the solidus #7

bocklund · 2019-12-05T23:24:37Z

Equilibrium simulations now find the ending temperature automatically, instead of being given an end temperature which may or may not completely solidify. At the end of an equilibrium solidification simulation, a binary search is performed to find the solidus temperature to a specified tolerance for more accurate phase fractions. Closes Equilibrium calculations should search for and stop at the solidus #6
[Breaking] the liquid composition input and attribute (x_liquid) SolidificationResult is now a Dict[component name, List[composition]] rather than a List[Dict[Composition state variable, composition]]. The old method is easier in terms of doing further equilibrium calculations by updating condition dicts, but the new method is better for post-processing and plotting, since the last dimension is directly aligned with the temperature dimension.

… at a time

…tion, float]]

bocklund added 8 commits December 5, 2019 15:06

Docs update for simulate_scheil_solidification

347f9c4

Equilibrium solidification performs equilibrium calculations one step…

008d537

… at a time

Equilibrium solidification does a binary search

ff8bd38

Clean up binary search approach to flatten nested logic

576e101

Delete unused end temperature in tests

f85e7c2

Kill unused code

d7c4652

x_liquid is now Dict[str, List[float]] instead of List[Dict[v.Composi…

e5f5ab7

…tion, float]]

Improved documentation for SolidificationResult

b5208e0

bocklund merged commit d842767 into master Dec 5, 2019

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