Conventional methods of hydrogen reduction employed for green nickel production face
challenges due to the high potentials required for water splitting at room temperature (> 1.8 …

Optimizing molten salts for molten salt reactors and concentrated solar power can be
challenging due to limited experimental data. To tackle this, we utilize neural network …

This study is devoted to the physicochemical properties of CeF3–FLiNaK molten mixture
with various CeF3 concentrations. Density, local structure, mean ion pair lifetimes, heat …

We describe and validate a free-energy-based method for computing the liquidus for binary
solid–liquid phase diagrams in molecular simulations of monatomic salts. The method is …

Liquid metal batteries have received considerable attention owing to their excellent
properties. However, an electrolyte with low melting temperature is required to decrease …

A statistical-thermodynamic model that makes it possible to describe with good accuracy
phase equilibria between melt and crystal in binary alkali halide mixtures with common …

Liquidus curves for LiF-KF and LiF-KCl mixtures are calculated from the two-phase
technique in the framework of molecular dynamics simulation. The calculated topology of the …

The study of phase diagrams of multicomponent molten mixtures is traditionally carried out
either by experimental measurements or thermodynamic calculations based on known …