Interatomic potentials and defect properties of Fe–Cr–Al alloys
Xichuan Liao, Hengfeng Gong, Yangchun Chen, Guangdong Liu, Tong Liu, Rui Shu, Zhixiao Liu, Wangyu Hu, Fei Gao, Chao Jiang, Huiqiu Deng
Topics & Concepts
Interatomic potentialMaterials scienceDensity functional theoryStacking faultMolecular dynamicsCrystallographic defectTernary operationStacking-fault energyVacancy defectCladding (metalworking)DislocationThermodynamicsCrystallographyMetallurgyComputational chemistryChemistryComposite materialProgramming languagePhysicsComputer scienceNuclear Materials and PropertiesFusion materials and technologiesHigh Temperature Alloys and Creep