Assessing the accuracy of machine learning interatomic potentials in predicting the elemental orderings: A case study of Li-Al alloys
Yunsheng Liu, Yifei Mo
Topics & Concepts
AlloyTransferabilityMaterials scienceInteratomic potentialElemental analysisSet (abstract data type)Lattice (music)Process (computing)Computer scienceMachine learningStatistical physicsMolecular dynamicsComputational chemistryMetallurgyPhysicsChemistryAcousticsProgramming languageOrganic chemistryLogitOperating systemMachine Learning in Materials ScienceNuclear Materials and PropertiesHydrogen embrittlement and corrosion behaviors in metals