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

研究成果: ジャーナルへの寄稿学術論文査読

10 被引用数 (Scopus)

抄録

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.

本文言語英語
ページ(範囲)6866-6872
ページ数7
ジャーナルJapanese Journal of Applied Physics
34
12
DOI
出版ステータス出版済み - 1995 12月

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