Multiple excitations and self-diffusion processes on and near the Cu(110) surface by molecular dynamics simulations

We present molecular dynamics simulation results concerning diffusion proce sses happening on and near the Cu(110) surface. We found that, in our simul ations, Arrhenius-type interlayer diffusion between the atomic layers near the surface becomes important above a temperature T-s = 850 K, contributing significantly to the production of adatoms, most of which combine to form dimers or trimers. These diffusion processes follow the Meyer-Neldel rule w ith an activation energy of 0.11 eV, indicating that their driving force co mes from multiple excitations. All of these phenomena act as precursors of the high diffusivity this surface exhibits at much higher temperatures. (C) 2000 Elsevier Science B.V. All rights reserved.