The Journal of Chemical Physics · 1983 · 59 citations · 6 references
EngineeringComputational ChemistryChemistryMolecular DynamicsPair PotentialsMolecular ThermodynamicsLennard–jonesium SystemNanoscale ModelingAnomalous DiffusionMaterials SciencePhysicsSurface DiffusionSurface Self-diffusion ConstantsDiffusion ResistancePhysicochemical AnalysisNatural SciencesSurface ScienceApplied PhysicsCondensed Matter PhysicsDiffusion ProcessInterfacial StudyChemical Thermodynamics
Surface self-diffusion constants for the fcc(100) Lennard–Jonesium system were calculated using classical molecular dynamics methods. Self-diffusion Arrhenius parameters calculated using pair potentials derived from bulk thermodynamic data were found to be in good agreement with reported Rh(100) experimental values.
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