MD simulation of cluster-surface impacts for metallic phases

Soft landing, droplet spreading and implantation

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

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)1-16
Number of pages16
JournalComputer Physics Communications
Volume141
Issue number1
DOIs
Publication statusPublished - 2001 Nov 15

Fingerprint

soft landing
Landing
implantation
simulation
Molecular dynamics
Temperature distribution
density distribution
temperature distribution
Atoms
molecular dynamics
solid surfaces
atoms
Irradiation
Monitoring
Computer simulation
irradiation
collisions
energy
configurations

Keywords

  • Clusters
  • DL_POLY code
  • Impact processes
  • Large system
  • Molecular dynamics simulation
  • Solid surface

ASJC Scopus subject areas

  • Computer Science Applications
  • Physics and Astronomy(all)

Cite this

MD simulation of cluster-surface impacts for metallic phases : Soft landing, droplet spreading and implantation. / Kholmurodov, Kholmirzo; Puzynin, Igor; Smith, William; Yasuoka, Kenji; Ebisuzaki, Toshikazu.

In: Computer Physics Communications, Vol. 141, No. 1, 15.11.2001, p. 1-16.

Research output: Contribution to journalArticle

Kholmurodov, Kholmirzo ; Puzynin, Igor ; Smith, William ; Yasuoka, Kenji ; Ebisuzaki, Toshikazu. / MD simulation of cluster-surface impacts for metallic phases : Soft landing, droplet spreading and implantation. In: Computer Physics Communications. 2001 ; Vol. 141, No. 1. pp. 1-16.
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