pycalphad

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.

Calculated (CALPHAD) Fe–C phase diagram, alloy-steel isopleths for 63 grades and heat-treatment windows. Runs in the browser. Turkish & English.

Curated directory of open-source tools, datasets, and literature for Secondary Aluminum Recycling, Industrial Thermography, Refractory Vision, Furnace Thermodynamics & Casthouse Engineering.

Self-directed pycalphad exercises focused on phase equilibrium, phase stability, and introductory CALPHAD concepts.

ThermoApp: aplikasi termodinamika open-source untuk macOS (SwiftUI + pycalphad) — kesetimbangan fasa, reaksi, diagram fasa biner

Alloy-design workbench for metallurgists

Runnable workflows on the ORCHID data (PhaseForge+, ESPEI, one-shot MLIP phase diagrams)

Thermodynamic modeling and DFT validation of maraging steel phase boundaries using PyCalphad and Quantum Espresso.