pycalphad: Computational Thermodynamics¶
pycalphad is a Python library for computational thermodynamics using the CALPHAD method. Because pycalphad is still in the alpha phase of development, documentation is a work in progress.
- Installation Instructions
- Calculating Isobaric Binary Phase Diagrams
- Al-Zn (S. Mey, 1993)
- Al-Fe (M.Seiersten et al., 1991)
- Al-Ni (Work in progress) (N. Dupin et al., 2001)
- Nb-Re (X. L. Liu et al., 2013)
- Calculating Energy Surfaces of Binary Systems
- Thermodynamic Calculation of Cementite (\(Fe_3C\))
- Equilibrium Properties and Partial Ordering (Al-Fe and Al-Ni)
- Al-Fe (Heat Capacity and Degree of Ordering)
- Al-Ni (Degree of Ordering)
- API Documentation
- What’s New
Development has been made possible in part through NASA Space Technology Research Fellowship (NSTRF) grant NNX14AL43H, and is supervised by Prof. Zi-Kui Liu in the Department of Materials Science and Engineering at the Pennsylvania State University.