Effect of Al doping on the early-stage oxidation of Ni-Al alloys: A ReaxFF molecular dynamics study
Liu Chen, Hubin Luo, Zhencheng Li, A. P. Neethu Sha
Topics & Concepts
ReaxFFMaterials scienceDopingMolecular dynamicsSurface energyCovalent bondAlloySurface roughnessSuperalloyChemical physicsChemical engineeringPhysical chemistryMetallurgyComputational chemistryChemistryComposite materialInteratomic potentialOrganic chemistryEngineeringOptoelectronicsHigh-Temperature Coating BehaviorsCatalytic Processes in Materials ScienceElectrocatalysts for Energy Conversion