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pycalphad

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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.

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…

When not to use

• predict precipitation rates
• predict retained metastable microstructures
• predict properties of phases missing from the database
• establish the database's experimental accuracy
• evaluate experimental validity

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