NEUP CINR-18-15093: Determination of Molecular Structure and Dynamics of Molten Salts by Advanced Neutron and X-ray Scattering Measurements and Computer Modeling

We seek detailed knowledge about molecular structure and dynamics of molten salts to inform the design of new MSR's. A combination of advanced neutron and x-ray scattering and ab initio molecular dynamics simulations will be used to model the ionic-cluster structure of the fluid and solubility of impurities. We will apply machine learning to regress from simulations and experiments in order to develop the model and predict chemical potentials as a function of composition and temperature.

Additional Info

Field	Value
Awarded Institution	Massachusetts Institute of Technology
PI	Boris Khaykovich