Molecular dynamics simulations of CaCl2–NaCl molten salt based on the machine learning potentials
Yun Xie, Min Bu, Guiming Zou, Ye Zhang, Guimin Lu
Topics & Concepts
Molten saltMolecular dynamicsDiffusionMicrostructureChemistrySalt (chemistry)IonViscosityThermodynamicsMaterials scienceInorganic chemistryCrystallographyPhysical chemistryComputational chemistryPhysicsOrganic chemistryMolten salt chemistry and electrochemical processesMetallurgical Processes and ThermodynamicsBauxite Residue and Utilization