Experimental and Computational Exploration of the NaF-ThF₄Fuel System: Structure and Thermochemistry

The structural, thermochemical, and thermophysical properties of the NaF-ThF4 fuel system were studied with experimental methods and molecular dynamics (MD) simulations. Equilibrium MD (EMD) simulations using the polarizable ion model were performed to calculate the density, molar volume, thermal expansion, mixing enthalpy, heat capacity, and...

Thermodynamic assessment of the Na-O and Na-U-O systems: Margin to the safe operation of SFRs

A thermodynamic model for the Na-O system was developed for the first time using the CALPHAD method after review of the structural, thermodynamic, and phase diagram data available on this system. Differential Scanning Calorimetry measurements were moreover performed to assess the phase equilibria and liquidus temperature in the Na<sub>2</sub...