Effect of alloying elements on the interface of fcc-Fe/Ni3Al by first principle calculations
Xin Guo, Jitian Zhou, Xingxing Zhang, Ping Yang, Junqiang Ren, Xuefeng Lu
Topics & Concepts
Materials scienceElectronDensity functional theoryAtom (system on chip)Charge densityPhase diagramIntermetallicPhase (matter)Charge (physics)Condensed matter physicsComputational chemistryChemistryMetallurgyAlloyPhysicsComputer scienceEmbedded systemQuantum mechanicsOrganic chemistryIntermetallics and Advanced Alloy PropertiesHigh-Temperature Coating BehaviorsMetal and Thin Film Mechanics