Individual skill
pycalphad
Computes finite-temperature CALPHAD equilibria, phase fractions, and phase compositions from thermodynamic TDB databases using pycalphad. Use for alloy phase stability, equilibrium temperature sweeps, tie lines, lever-rule checks, or reproducible phase-fraction calculations with explicit components and mole-fraction conditions.
skills/pycalphad/SKILL.md
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SKILL.mdcore · 8,194 bytesSKILL.mdcore · 8,194 bytesSKILL.mdcore · 8,194 bytesSKILL.mdcore · 8,194 bytesassets/equilibrium.jsonasset · 443 bytesassets/ideal-cu-ni.tdbasset · 702 bytesreferences/model-and-validation.mddoc · 10,048 bytesscripts/equilibrate.pyruns · 11,112 bytes
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# pycalphad: TDB equilibrium calculations
## When to use
Use for equilibrium phase fractions and compositions at a fixed bulk elemental mole
composition, specified pressure, and a list of finite temperatures. The bundled helper
executes real pycalphad equilibria, checks mass balance, repeats at greater sampling
density, and exports each stable composition set separately.
Equilibrium is constrained by the selected database, components, phases, and conditions.
It does not predict precipitation rates, retained metastable microstructures, or properties
of phases missing from the database. Successful numerical checks do not establish the
database's experimental accuracy.
