Publication | Open Access

Molecular dynamics simulations of the effects of vacancies on nickel self-diffusion, oxygen diffusion and oxidation initiation in nickel, using the ReaxFF reactive force field

Materials ScienceMolecular DynamicsEngineeringDiffusion ResistanceNanotechnologySurface ScienceApplied PhysicsOxidation InitiationMaterial SimulationNickel Self-diffusionNanoscale ModelingPhysical ChemistryMolecular Dynamics SimulationsDiffusion ProcessChemistryMolecular KineticsChemical Kinetics