ReaxFF molecular dynamics simulation of oxidation behavior of 3C-SiC in O2 and CO2
Xihui Chen, Zhigang Sun, Zhuangzhuang Chen, Yingdong Song, Xuming Niu
Topics & Concepts
ReaxFFMolecular dynamicsOxygenActivation energyRedoxChemistryOxidation processChemical reactionChemical engineeringMaterials scienceChemical physicsPhysical chemistryComputational chemistryInorganic chemistryOrganic chemistryEngineeringInteratomic potentialAdvanced ceramic materials synthesisBoron and Carbon Nanomaterials ResearchSilicon Carbide Semiconductor Technologies