The influence of hydrogen on phase stability, mechanical and electronic properties of B2–ZrCu compound from first-principles
Chaoyu Lin, Mixun Zhu, Zhenyu Cao, Yujun Lin, Jinuo Huang, Jiaqing Wu, Zhi Zhou, Wenli Song, Ping Peng, Ming Jen Tan, Yuanzheng Yang, Xiaoling Fu
Topics & Concepts
Materials scienceCovalent bondDopingChemical bondHydrogenBrittlenessInterstitial defectDensity functional theoryDensity of statesDuctility (Earth science)CrystallographyChemical physicsComputational chemistryChemistryCondensed matter physicsComposite materialOptoelectronicsPhysicsCreepOrganic chemistryAluminum Alloys Composites PropertiesAdvanced materials and compositesMagnesium Alloys: Properties and Applications