Local structure elucidation and properties prediction on KCl–CaCl2 molten salt: A deep potential molecular dynamics study
Min Bu, Wenshuo Liang, Guimin Lu, Jianguo Yu
Topics & Concepts
Molecular dynamicsMolten saltEutectic systemWork (physics)ChemistryChemical physicsSteric effectsInteratomic potentialThermodynamicsMaterials scienceComputational chemistryPhysicsCrystallographyMicrostructureStereochemistryInorganic chemistryPhase Change Materials ResearchAdvanced Thermoelectric Materials and DevicesMachine Learning in Materials Science