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.
- Version
- 1.1
- License
- MIT
- Compatibility
- Requires Python 3.12+, pycalphad 0.11.2, and NumPy. Installation needs network access; calculations run locally without credentials. Real-material predictions require a suitable licensed thermodynamic database.
Pinned to revision 92ace75ac21e, so it is the text this page describes rather than whatever the author pushed since.
Files
- skills/pycalphad/SKILL.md
- skills/pycalphad/assets/equilibrium.json
- skills/pycalphad/assets/ideal-cu-ni.tdb
- skills/pycalphad/references/model-and-validation.md
- skills/pycalphad/scripts/equilibrate.py
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