First-principles study of point defects in U<sub>3</sub>Si<sub>2</sub>: effects on the mechanical and electronic properties
Menglu Li, Jutao Hu, Hengfeng Gong, Qisen Ren, Yehong Liao, Haiyan Xiao, Qi-Hang Qiu, S. M. Feng, Xiaotao Zu
Abstract
Under a radiation environment, the created defects in U 3 Si 2 remarkably affect its mechanical properties.
Topics & Concepts
Density functional theoryMaterials scienceDuctility (Earth science)Vacancy defectFermi levelCondensed matter physicsUraniumCrystallographic defectAtom (system on chip)Deformation (meteorology)NeutronElectronChemical physicsComputational chemistryChemistryCreepComposite materialMetallurgyNuclear physicsPhysicsEmbedded systemComputer scienceNuclear Materials and PropertiesRare-earth and actinide compoundsFusion materials and technologies