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Compositional transferability of deep potential in molten LiF–BeF<sub>2</sub> and LaF<sub>3</sub> mixtures: prediction of density, viscosity, and local structure

Xuejiao Li, Tingrui Xu, Yu Gong

2024Physical Chemistry Chemical Physics18 citationsDOIOpen Access PDF

Abstract

with different formulations as well as the predictability of structures and properties are achieved at the nanometer spatial scale and the nanosecond timescale.

Topics & Concepts

Molten saltMaterials scienceMolecular dynamicsViscosityDiffusionTransferabilityPlutoniumChemical physicsThermodynamicsChemistryComputational chemistryRadiochemistryMetallurgyComposite materialLogitStatisticsPhysicsMathematicsMolten salt chemistry and electrochemical processesNuclear Materials and PropertiesNuclear reactor physics and engineering
Compositional transferability of deep potential in molten LiF–BeF<sub>2</sub> and LaF<sub>3</sub> mixtures: prediction of density, viscosity, and local structure | Litcius