NEUP CINR-19-17413: Validated, Multi-Scale Molecular Dynamics Simulations to Predict the Thermophysical Properties of Molten Salts Containing Fuel, Fission, and Corrosion Products

First principles molecular dynamics (FPMD) simulations will be performed on molten salts containing impurities including fuel, fission products, and corrosion products. These will be used to develop a classical molecular dynamics (CMD) potential. CMD will then be used to predict properties for a wide variety of salt compositions and temperatures, and physical property measurements will be performed to validate those predictions. Property correlations will be developed from this data.

Additional Info

Field	Value
Awarded Institution	Brigham Young University
PI	Stella Nickerson