Quantifying the energy of vacancy mediated diffusion of solute Cu, Mg, Ag and Zn atoms in an aluminum Matrix: An insight from ab initio calculations
G. Thomas, María Alejandra Quiroga, C. Macchi, A. Somoza
Topics & Concepts
Vacancy defectAluminiumAb initioDiffusionAb initio quantum chemistry methodsZincMatrix (chemical analysis)Materials scienceChemical physicsChemistryCrystallographyComputational chemistryThermodynamicsPhysical chemistryMetallurgyPhysicsMoleculeOrganic chemistryComposite materialAluminum Alloy Microstructure PropertiesBauxite Residue and UtilizationAdvanced ceramic materials synthesis