First-principles calculations of structural, elastic and electronic properties of second phases and solid solutions in Ti–Al–V alloys
Yangjie Wan, Ying Zeng, Xiaoying Qian, Qiurong Yang, Kexin Sun, Yingbo Zhang, Xin Shang, Gaofeng Quan, Bin Jiang
Topics & Concepts
Materials scienceSolid solutionDensity functional theoryStructural stabilityPhase (matter)StiffnessElectronic structureSupercellThermodynamicsCASTEPDeformation (meteorology)Covalent bondCrystallographyComputational chemistryComposite materialMetallurgyChemistryStructural engineeringPhysicsMeteorologyEngineeringThunderstormOrganic chemistryIntermetallics and Advanced Alloy PropertiesTitanium Alloys Microstructure and PropertiesMXene and MAX Phase Materials