Interatomic potentials for irradiation-induced defects in iron
Rebecca Alexander, Laurent Proville, C.S. Becquart, Alexandra M. Goryeava, Julien Dérès, Clovis Lapointe, Mihai‐Cosmin Marinica
Topics & Concepts
TransferabilityAtom (system on chip)Ab initioCrystallographic defectDislocationInteratomic potentialAb initio quantum chemistry methodsIrradiationMaterials scienceMolecular physicsAtomic physicsMolecular dynamicsChemical physicsChemistryComputational chemistryCrystallographyPhysicsMoleculeNuclear physicsComputer scienceMachine learningLogitEmbedded systemOrganic chemistryNuclear Materials and PropertiesFusion materials and technologiesIon-surface interactions and analysis