Atomic Ordering at the Liquid-Al/MgAl2O4 Interfaces from Ab Initio Molecular Dynamics Simulations
Changming Fang, Z. Fan
Topics & Concepts
SpinelNucleationMaterials scienceMolecular dynamicsChemical physicsAb initioAlloyLayer (electronics)AluminiumSubstrate (aquarium)MetalAb initio quantum chemistry methodsChemical engineeringCrystallographyComputational chemistryNanotechnologyChemistryMoleculeMetallurgyOrganic chemistryGeologyOceanographyEngineeringAluminum Alloy Microstructure PropertiesAluminum Alloys Composites PropertiesBauxite Residue and Utilization