Simulations on the oxidation of Al-Mg alloy nanoparticles using the ReaxFF reactive force field
Liang Song, Tiancheng Zhang, Yong Zhang, Bo-Cong Chen, Mei Wu, Su‐Qin Zhou, Zheng Mei
Topics & Concepts
ReaxFFMaterials scienceOxideAlloyNanoparticleMolecular dynamicsChemical engineeringOxygenDiffusionPhase (matter)CombustionChemical physicsNanotechnologyPhysical chemistryMetallurgyComputational chemistryThermodynamicsOrganic chemistryChemistryPhysicsEngineeringInteratomic potentialEnergetic Materials and CombustionThermal and Kinetic AnalysisCoagulation and Flocculation Studies