Development of potentials for molecular dynamics simulations of dry and hydrated calcium aluminosilicate glasses by force matching and refinement
Thiruvilla S. Mahadevan, Axelle Baroni, Mélanie Taron, Stéṕhane Gin, Jincheng Du, Jean‐Marc Delaye
Topics & Concepts
AluminosilicateMolecular dynamicsCalcium aluminosilicateMatching (statistics)CalciumDynamics (music)Materials scienceMineralogyChemical physicsChemistryComputational chemistryMathematicsPhysicsMetallurgyOrganic chemistryStatisticsCatalysisAcousticsGlass properties and applicationsClay minerals and soil interactionsMaterial Dynamics and Properties