Molecular dynamics simulations of the initial oxidation process on ferritic Fe–Cr alloy surfaces
Yuan‐Shuo Zhang, Baoshuai Chu, Hongli Yu, Kun Li, Weihua Wang, Wen Yang
Abstract
concentration. Moreover, the (110) surface presents the best oxidation resistance compared to the other two surfaces. And the (110) surface is efficient in preventing Fe atoms from being oxidized. Here we explore the initial oxidation process of Fe-Cr alloy and the corresponding results could provide theoretical guides to the related experiments and applications as metallic interconnects.
Topics & Concepts
AlloyMolecular dynamicsProcess (computing)Oxidation processMaterials scienceChemical engineeringDynamics (music)MetallurgyChemical physicsChemistryComputational chemistryComputer sciencePhysicsEngineeringOperating systemAcousticsHigh-Temperature Coating BehaviorsNuclear Materials and PropertiesHydrogen embrittlement and corrosion behaviors in metals