A DFT accurate machine learning description of molten ZnCl2 and its mixtures: 1. Potential development and properties prediction of molten ZnCl2
Gechuanqi Pan, Pin Chen, Hui Yan, Yutong Lu
Topics & Concepts
Eutectic systemMolecular dynamicsInteratomic potentialThermodynamicsWork (physics)MicrostructureThermalMaterials scienceChemistryComputational chemistryMetallurgyPhysicsPhase Change Materials ResearchMolten salt chemistry and electrochemical processesThermal properties of materials