Atomic insight into iron corrosion exposed to supercritical water environment with an improved Fe-H2O reactive force field
Yun Huang, Chaowei Hu, Zigen Xiao, Ning Gao, Qingtian Wang, Zhixiao Liu, Wangyu Hu, Huiqiu Deng
Topics & Concepts
ReaxFFCorrosionSupercritical fluidDissolutionHydroxideAnaerobic corrosionFerrousMaterials scienceMolecular dynamicsMetallurgyChemical engineeringPrecipitationInorganic chemistryChemistryPhysical chemistryComputational chemistryOrganic chemistryPhysicsInteratomic potentialMeteorologyEngineeringSubcritical and Supercritical Water ProcessesEnvironmental remediation with nanomaterialsHigh-Temperature Coating Behaviors