Molecular Dynamics Simulation of Cluster-Beam-Surface Impact Processes for Metallic Phases

Kholmirzo Kholmurodov, Igor Puzynin, William Smith, Kenji Yasuoka, Toshikazu Ebisuzaki

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)


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 languageEnglish
Pages (from-to)141-147
Number of pages7
JournalJournal of Computational Methods in Sciences and Engineering
Issue number1-2
Publication statusPublished - 2002


  • DL-POLY code
  • Molecular dynamics simulation
  • clusters
  • impact processes
  • large system
  • solid surface

ASJC Scopus subject areas

  • General Engineering
  • Computer Science Applications
  • Computational Mathematics


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