Deep learning-driven molecular dynamics simulations of molten carbonates: 1. Local structure and transport properties of molten Li2CO3-Na2CO3 system
Taixi Feng, Bo Yang, Guimin Lu
Topics & Concepts
Molecular dynamicsMaterials scienceInteratomic potentialWork (physics)ThermodynamicsRadial distribution functionViscosityChemical physicsStatistical physicsChemistryPhysicsComputational chemistryMolten salt chemistry and electrochemical processesPhase Change Materials ResearchAdvanced Battery Materials and Technologies