pycalphad is a free and open-source Python library for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria using the CALPHAD method. It provides routines for reading thermodynamic database (TDB files) and solving the multi-component, multi-phase Gibbs energy minimization problem. The purpose of this project is to provide any interested people the ability to tinker with and improve the nuts and bolts of CALPHAD modeling without having to be a computer scientist or expert programmer.
Otis, R. & Liu, Z.-K., (2017). pycalphad: CALPHAD-based Computational Thermodynamics in Python. Journal of Open Research Software. 5(1), p.1. DOI: http://doi.org/10.5334/jors.140
Python, Thermodynamics, CALPHAD, Alloys, Modeling,
Curator: eowre