Molecular dynamics simulations of metal clusters and metal deposition on metal surfaces

Masahiko Katagir, Momoji Kubo, Ryo Yamauchi, Akira Miyamoto, Yasuo Nozue, Osamu Terasaki, Terry R. Coley, Yongsheng Sean Li, John M. Newsam

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)

Abstract

The geometries and energies of Pdnclusters (n = 2-15) and the deposition of Pd atoms on the Cu(110) surface at several temperatures have been studied by molecular dynamics using embedded-atom type potentials. Compactstructures were obtained for the small Pdnclusters; these geometries are compared with results for Many-BodyAlloy (MBA) and Lennard-Jones potentials. For Pd atoms on the Cu(110) surface, the simulations indicate no substantial Pd penetration into the bulk, but unconstrained thin slab models do exhibit surface-driven melting and Pdpenetration. The motion Pd adatoms on the surface is influenced by the surface dynamics, which manifests anhar-monicity and roughening.

Original languageEnglish
Pages (from-to)6866-6872
Number of pages7
JournalJapanese journal of applied physics
Volume34
Issue number12
DOIs
Publication statusPublished - 1995 Dec

Keywords

  • Adatom
  • Anharmonicity
  • Deposition
  • Diffusion
  • EAM
  • Epitaxial growth
  • Metal cluster
  • Metal surface
  • Molecular dynamics
  • Roughening

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

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