Accurate prediction of vacancy cluster structures and energetics in bcc transition metals
Jie Hou, Yu-Wei You, Xiang-Shan Kong, Jun Song, C.S. Liu
Topics & Concepts
Vacancy defectEnergeticsCluster (spacecraft)Materials scienceChemical physicsDensity functional theoryAnnealing (glass)Statistical physicsCondensed matter physicsComputational chemistryPhysicsThermodynamicsChemistryComputer scienceMetallurgyProgramming languageNuclear Materials and PropertiesFusion materials and technologiesIon-surface interactions and analysis