Fast Diffusion of a Lennard-Jones Cluster on a Crystalline Surface

Abstract

We present a molecular dynamics study of large Lennard-Jones clusters evolving on a crystalline surface. The static and the dynamic properties of the cluster are described. We find that large clusters can diffuse rapidly, as experimentally observed. The role of the mismatch between the lattice parameters of the cluster and the substrate is emphasized to explain the diffusion of the cluster. This diffusion can be described as a Brownian motion induced by the internal vibrations of the cluster and/or the vibrations of the substrate, a mechanism that has not been previously considered for cluster diffusion.