phase-diagram

Pynamical is a Python package for modeling and visualizing discrete nonlinear dynamical systems, chaos, and fractals.

Curated list of known efforts in materials informatics

Phase field model for precipitate aging in ternary analogues to Ni-based superalloys

Specs of the mass data retrieval interface for the Materials Platform for Data Science (MPDS)

Basic info and tutorials for the Materials Platform for Data Science (MPDS)

Derivation and construction of a thermodynamic phase diagram for ternary alloy systems with 2 or 3 phases

MPDS API Data Retrieval Client Helper Utilities in Python

Thermodynamic modelling of Cu2ZnSnS4 (CZTS) phase equilibria

Equilibrium modelling of sulfur vapours (S2 - S8)

Generate a T vs. liquid/vapor mole fraction of component A (in a binary mixture of A+B) phase diagram

This is a set of programs that I used to calculate the analytical tractability of phase diagrams of ionic gases in strong electric fields (Shrohan Mohapatra. (2021, May 31). Analytical tractability and computability of the Gibbs ensemble of ions in strong electric fields, 10.5281/zenodo.4884619). I am using canonical ensemble and Gibb's ensemble to compute the statistical-mechanical quantities and then constructing the phase diagrams.

Thermodynamics powered by Machine Learning

Generate a pressure vs. liquid/vapor mole fraction of component A (in a binary mixture of A+B) phase diagram

Static and animated distillation phase diagrams for chemistry education

This is the repository of the codes, data and plots used in the project. https://www.mdpi.com/1099-4300/23/3/288