Composition-dependent microstructure evolution in liquid MgCl2-KCl: A first-principles molecular dynamics study
Wenshuo Liang, Guimin Lu, Jianguo Yu
Topics & Concepts
Molecular dynamicsMolten saltElectrolyteChemical physicsStructural stabilityStructural changeChemistryWork (physics)Coordination numberRadial distribution functionMagnesiumElectrolysisIonThermodynamicsMaterials scienceComputational chemistryPhysical chemistryInorganic chemistryOrganic chemistryEconomicsElectrodeEngineeringMacroeconomicsPhysicsStructural engineeringAdvanced Battery Materials and TechnologiesMaterial Dynamics and PropertiesThermal Expansion and Ionic Conductivity