Effective pairwise potential for simulations of adsorbed platinum

Abstract

An effective pairwise potential for platinum is derived from the Sutton-Chen many-body potential by fitting a Lennard-Jones function to molecular dynamics simulation data. The ad hoc procedure enables the determination of platinum-carbon interaction parameters by a mixing rule. Molecular dynamics simulations of platinum on carbon are performed with this effective potential and compared with simulations using the Sutton-Chen potential. The results show some minor differences in the size distributions and in the types of packing formed in the clusters.