  LiF-NaF-ZrF4 multicomponent molten salts are identified as promising
candidates for coolant salts in molten salt reactors and advanced
high-temperature reactors. Herein, ab-initio molecular dynamics (AIMD)
calculations were performed and compared with available experimental data to
assess the ability of polarizable ion models (PIM) to reproduce short to
intermediate-range structure, transport and thermophysical properties of the
LiF-NaF-ZrF4 salt mixtures. This study signifies the importance of accurate
salt structure generation for accurate prediction of transport and
thermophysical properties of multicomponent molten salts.
  Keywords: Multicomponent Molten salts, Ab-initio molecular dynamics,
Polarizable ion model, Fluorozirconate chains, Neoteric liquids simulation,
Ionic liquids, Thermophysical properties, Diffusion coefficients.
