Orientation dependent interface morphology and oxide stability in a commercial niobium alloy: Explaining experimental results with density functional theory
Ashish Dhole, Amrita Bhattacharya, René de Kloe, R. K. Gupta, Amol A. Gokhale, I. Samajdar
Topics & Concepts
Materials scienceDensity functional theoryOxideAlloyTetragonal crystal systemNiobiumSurface energyOrthorhombic crystal systemPhase (matter)MetalDiffusionChemical physicsCrystallographyThermodynamicsMetallurgyComputational chemistryComposite materialCrystal structureChemistryPhysicsOrganic chemistryCatalytic Processes in Materials ScienceSemiconductor materials and devicesElectronic and Structural Properties of Oxides