High-temperature chromium diffusion in austenitic stainless steel: Ab initio molecular dynamics simulations
Philippe F. Weck, Eunja Kim
Topics & Concepts
Grain boundaryMolecular dynamicsChromiumDiffusionMaterials scienceAb initioGrain boundary diffusion coefficientAusteniteCorrosionAustenitic stainless steelThermodynamicsAb initio quantum chemistry methodsPhysical chemistryChemical physicsMetallurgyComputational chemistryMicrostructureChemistryMoleculePhysicsOrganic chemistryHydrogen embrittlement and corrosion behaviors in metalsFusion materials and technologiesHigh-Temperature Coating Behaviors