A command-line tool to provide rapid, approximate estimates for basic properties (density, lattice parameter, thermal conductivity) of High Entropy Alloys (HEAs) based on their elemental composition. It utilizes simple Rule-of-Mixtures (RoM) and Vegard's Law models.
predictive-modeling materials-science xrd calculator-app stoichiometric-modeling prediction-analysis high-entropy-ceramic high-entropy-alloys
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Updated
Apr 19, 2025 - Python