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FIX: Fix fraction of solid when multiple solids are forming - #65
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bocklund merged 2 commits intoOct 21, 2026
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…ing the step Each step equilibrates the remaining liquid, so each solid phase forms (1 - fs at the start of the step) * NP(phase). The fraction solid was updated inside the loop over stable phases, so every solid phase after the first was scaled by liquid already reduced by the previous phases. When two or more solid phases formed in one step, this undercounted the solid, broke mass balance, and made per-phase amounts depend on phase order. Add a test against the exact Scheil solution for an ideal liquid with pure-element solids, which goes through ALPHA + BETA forming together, and a mass balance test on the Chen A-B-C ternary monovariant. Reported in pycalphad#64.
bocklund
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GitHub Actions runners now use ubuntu-26.04 instead of ubuntu-24.04. System Python is upgraded from 3.12 to 3.14 and scheil depends on PyCalphad, which only installs well on <=3.13 right now because its symengine pin on 0.13 doesn't have 3.14+ wheels. This causes our smoke tests and doc builds to fail in CI. This pins the Python version for smoke tests and doc builds in CI, following pycalphad/pycalphad#748.
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When more than one solid formed during Scheil solidification simulations, fraction of solid was updated in a way that double counted the
current_fraction_solid(the amount of solid accumulating in each time step). This PR makes the fix suggested in #64 and adds a test using pure solids that where the fractions of solid, liquid, and phase compositions can be known exactly.Closes #64.
Thanks to @BRZ1028 for reporting!