Pure Element Thermodynamic modeling with 3rd generation CALPHAD models for multiple elements

Description

Jupyter notebook for modeling pure elements with selected models via python tools pycalphad and ESPEI

Running Tutorial

Creating a codespace should immediately open the desired notebook. Just change the element as desired (non-case sensitive) and set what SGTE structure (FCC_A1, BCC_A2, etc.) you would like to compare against.

Available Elements

Further Resources

pycalphad: https://pycalphad.org/
espei: https://espei.org/
PRL Tools: https://software.phaseslab.org

Citation

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