Exploring structural transitions at grain boundaries in Nb using a generalized embedded atom interatomic potential
Hong Sun, Amit Samanta
Topics & Concepts
Grain boundaryMisorientationInteratomic potentialMaterials scienceMolecular dynamicsMetastabilityAtom (system on chip)Condensed matter physicsDensity functional theoryChemical physicsChemistryComputational chemistryPhysicsMicrostructureMetallurgyEmbedded systemComputer scienceOrganic chemistryAdvanced Materials Characterization TechniquesMachine Learning in Materials ScienceIon-surface interactions and analysis