Alloying Effects on the Oxygen Diffusion in Nb Alloys: A First-Principles Study
Jianhui Chen, Yuchao Tang, Fu Liu, Jintao Shu, Yanjie Liu, Ziqiang Dong, Yi Liu, Yi Liu, Yi Liu
Topics & Concepts
TrappingDiffusionMaterials scienceOxygenRange (aeronautics)Density functional theoryKinetic Monte CarloTransition metalWork (physics)Kinetic energyBinding energyThermodynamicsChemical physicsAtomic physicsChemistryMonte Carlo methodComputational chemistryCatalysisPhysicsComposite materialBiologyOrganic chemistryEcologyBiochemistryStatisticsMathematicsQuantum mechanicsIntermetallics and Advanced Alloy PropertiesNuclear Materials and PropertiesHigh Temperature Alloys and Creep