Formation and growth kinetics of the initial amorphous oxide film on the aluminum melt: A ReaxFF molecular dynamics simulation
Junping Qian, Peiru Zheng, Yingjie Ma, Xingfan Zhang, Jian Huang, Di Zhang, Zhichao Li, Yanyan Jiang, Weikang Wu, Hui Li, Hui Li
Topics & Concepts
ReaxFFNucleationOxideMolecular dynamicsMaterials scienceAmorphous solidDiffusionAlloyAluminiumChemical physicsChemical engineeringMetallurgyChemistryThermodynamicsComputational chemistryCrystallographyInteratomic potentialOrganic chemistryPhysicsEngineeringAdvanced ceramic materials synthesisZnO doping and propertiesSolidification and crystal growth phenomena