The initial wet oxidation process on Fe-Cr alloy surface: Insights from ReaxFF molecular dynamic simulations
Xinli Jiang, Yujin Hu, Ling Ling, Xuelin Wang
Topics & Concepts
ReaxFFOxideMaterials scienceAlloyMolecular dynamicsDissociation (chemistry)Chemical engineeringMetalAdsorptionChemical physicsInorganic chemistryMetallurgyPhysical chemistryChemistryComputational chemistryInteratomic potentialEngineeringHigh-Temperature Coating BehaviorsNuclear Materials and PropertiesHydrogen embrittlement and corrosion behaviors in metals