Identifying the crystal structure of T1 precipitates in Al-Li-Cu alloys by ab initio calculations and HAADF-STEM imaging
Shuo Wang, Xianghai Yang, Junsheng Wang, Chi Zhang, Chengpeng Xue
Topics & Concepts
SupercellAb initioMaterials scienceTernary operationPhase (matter)Ab initio quantum chemistry methodsCluster expansionGround stateCrystal structureCrystallographyThermodynamicsChemistryAtomic physicsPhysicsMoleculeThunderstormComputer scienceOrganic chemistryProgramming languageMeteorologyAluminum Alloy Microstructure PropertiesMicrostructure and mechanical propertiesAluminum Alloys Composites Properties