ReaxFF reactive molecular dynamics study on oxidation behavior of 3C-SiC in H2O and O2
Zhuangzhuang Chen, Zhigang Sun, Xihui Chen, Youxun Wu, Xuming Niu, Yingdong Song
Topics & Concepts
ReaxFFMolecular dynamicsOxideChemistryActivation energySiliconPorosityChemical engineeringPhysical chemistryComputational chemistryOrganic chemistryEngineeringInteratomic potentialSemiconductor materials and devicesSilicon Carbide Semiconductor TechnologiesAdvanced ceramic materials synthesis