Exploring the oxidation mechanism of Ni3Al based alloy by ReaxFF molecular dynamics simulation
Weidong Fu, Xiangyang Wang, Junjie Zhou, Yinsheng Yu
Topics & Concepts
ReaxFFOxideAlloyMolecular dynamicsMaterials scienceMetalMicrostructureOxygenNickelAluminiumAdsorptionChemical engineeringChemical physicsPhysical chemistryMetallurgyChemistryComputational chemistryInteratomic potentialOrganic chemistryEngineeringHigh-Temperature Coating BehaviorsIntermetallics and Advanced Alloy PropertiesNuclear Materials and Properties