Abstract
An optimized version of the DL-POLY molecular dynamics simulation code [K. Kholmurodov. W. Smith, K. Yasuoka, and T. Ebisuzaki, Comput. Phys. Commun. 125, 167(2000)] has been used to study the cluster-beam surface impact processes for the metallic phase. The interaction of an energetic cluster of atoms with a solid surface was investigated using the Finnis-Sinclair many-body potential. The characteristics of the collision range from soft landing (< 0.1 eV/atom) up to higher impact energies (> 3 eV/atom). Modification of the surface, exposed to highly energetic cluster-beams, was studied by monitoring the molecular dynamics configurations of the system in real time and defining the critical impact energies, necessary to produce implantation. The density and temperature distributions in the cluster substrate system, under high energy irradiation, were investigated in detail.
| Original language | English |
|---|---|
| Pages (from-to) | 141-147 |
| Number of pages | 7 |
| Journal | Journal of Computational Methods in Sciences and Engineering |
| Volume | 2 |
| Issue number | 1-2 |
| DOIs | |
| Publication status | Published - 2002 |
Keywords
- DL-POLY code
- Molecular dynamics simulation
- clusters
- impact processes
- large system
- solid surface
ASJC Scopus subject areas
- Engineering(all)
- Computer Science Applications
- Computational Mathematics