NEUP CINR-20-19797: High Throughput Computational Platform for Predictive Modeling of Thermochemical and Thermophysical Properties of Fluoride Molten Salts

This proposal aims to (1) develop an open-source high throughput (H-T) computational platform to understand, predict, and evaluate thermochemical and thermophysical properties of molten salts as demonstrated in the F-(K-Li-Na)-(Cr-Fe)-U system and (2) provide H-T approaches (CALPHAD modeling and AIMD simulations) and open-source codes together with thermodynamic models of molten salts and public-accessible databases verified by targeted experiments for molten salt research community and beyond.

Additional Info

Field	Value
Awarded Institution	Pennsylvania State University
PI	Shunli Shang