First-principles study of hydrogen-vacancy interactions in CoCrFeMnNi high-entropy alloy
Changwei Wang, Kangning Han, Xin Liu, Yaxin Zhu, Shuang Liang, Lv Zhao, Minsheng Huang, Zhenhuan Li
Topics & Concepts
Vacancy defectDensity functional theoryBinding energyAtom (system on chip)HydrogenMaterials scienceAlloyCluster (spacecraft)Void (composites)OctahedronChemical physicsChemistryCrystallographyAtomic physicsComputational chemistryMetallurgyCrystal structurePhysicsComputer scienceEmbedded systemComposite materialProgramming languageOrganic chemistryHigh Entropy Alloys StudiesHigh-Temperature Coating BehaviorsAdditive Manufacturing Materials and Processes