Energetic segregation of B, C, N, O at the γ-TiAl/α2-Ti3Al interface via DFT approach
Ouahiba Ouadah, G. Merad, H. Si Abdelkader
Topics & Concepts
Materials scienceImpurityAtom (system on chip)Ductility (Earth science)Density functional theoryCleavage (geology)OctahedronCrystallographyMolecular dynamicsAlloyMetallurgyComposite materialComputational chemistryCrystal structureChemistryCreepFracture (geology)Embedded systemOrganic chemistryComputer scienceIntermetallics and Advanced Alloy PropertiesAdvanced materials and compositesMXene and MAX Phase Materials