CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.
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Updated
Aug 29, 2026 - Python
CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.
Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59
A python package to simulate precipitation and diffusion behavior using Calphad
Phase field model for precipitate aging in ternary analogues to Ni-based superalloys
A Scheil-Gulliver simulation tool using pycalphad.
Alloy-design workbench for metallurgists
Self-directed pycalphad exercises focused on phase equilibrium, phase stability, and introductory CALPHAD concepts.
Thermodynamic modeling and DFT validation of maraging steel phase boundaries using PyCalphad and Quantum Espresso.
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