Molecular dynamics simulations of metal clusters and metal deposition on metal surfaces

The geometries and energies of Pd_nclusters (n = 2-15) and the deposition of Pd atoms on the Cu(110) surface at several temperatures have been studied by molecular dynamics using embedded-atom type potentials. Compactstructures were obtained for the small Pd_nclusters; these geometries are compared with results for Many-BodyAlloy (MBA) and Lennard-Jones potentials. For Pd atoms on the Cu(110) surface, the simulations indicate no substantial Pd penetration into the bulk, but unconstrained thin slab models do exhibit surface-driven melting and Pdpenetration. The motion Pd adatoms on the surface is influenced by the surface dynamics, which manifests anhar-monicity and roughening.