MD simulation of cluster–surface impacts for metallic phases: soft landing, droplet spreading and implantation Original Research Article

An optimized version of the DL_POLY molecular dynamics simulation code [K. Kholmurodov, W. Smith, K. Yasuoka, T. Ebisuzaki, Comput. Phys. Commun. 125 (2000) 167–192] has been used to study the cluster–surface impact processes for metallic phases. The interaction of an energetic cluster of atoms with a solid surface has been investigated using the Finnis–Sinclair many-body potential. The characteristics of the cluster–surface collisions were studied in a wide range of the cluster impact energies (Einc=0.035–3.5 eV/atom). Modification of the surface, exposed to the cluster-beams, was studied by monitoring the molecular dynamics configurations of the system in real time. The density and temperature distributions in the system under the energetic irradiations has been investigated in detail. The three major channels of the impact yield (viz., soft landing, droplet spreading and implantation) were distinguished and estimated. Based on the density and temperature distributions data the low energy cluster–surface impact has been analyzed and a novel interpretation of droplet spreading process is given.