Hydrogen diffusion in zirconium hydrides from on-the-fly machine learning molecular dynamics
Feifei Yu, Xia Xiang, Xiaotao Zu, Shuanglin Hu
Topics & Concepts
ZirconiumHydrogenMolecular dynamicsDiffusionOn the flyMaterials scienceChemical physicsChemistryComputer scienceComputational chemistryThermodynamicsMetallurgyPhysicsOrganic chemistryOperating systemNuclear Materials and PropertiesMachine Learning in Materials ScienceFuel Cells and Related Materials