MOLECULAR-DYNAMICS SIMULATIONS OF METAL-CLUSTERS AND METAL-DEPOSITIONON METAL-SURFACES

The geometries and energies of Pd-n clusters (n = 2-15) and the deposi tion of Pd atoms on the Cull 10) surface at several temperatures have been studied by molecular dynamics using embedded-atom type potentials , Compact structures were obtained for the small Pd-n clusters; these geometries are compared with results for Many-Body Alloy (MBA) and Len nard-Jones potentials. For Pd atoms on the Cu(110) surface, the simula tions indicate Ilo substantial Pd penetration into tile bulk, but unco nstrained thin slab models do exhibit surface-driven melting and Pd pe netration. The motion Pd adatoms on the surface is influenced by tile surface dynamics, which manifests anharmonicity and roughening.