Finnis–Sinclair-type potential for atomistic simulation of defects behaviour in V-Ti-Ta ternary system
Rongyang Qiu, Yangchun Chen, Xichuan Liao, Xinfu He, Wen Yang, Wangyu Hu, Huiqiu Deng
Topics & Concepts
Ternary operationInteratomic potentialMaterials scienceCrystallographic defectVacancy defectDensity functional theoryVanadiumAlloyThermodynamicsMolecular dynamicsCrystallographyChemistryComputational chemistryMetallurgyPhysicsProgramming languageComputer scienceFusion materials and technologiesNuclear Materials and PropertiesMetal and Thin Film Mechanics