The dynamics of surfaces of metallic and monolayer systems: an embedded-atom molecular dynamics study

The dynamics of surfaces of metallic and monolayer systems: an embedded-atom molecular dynamics study

We present the anharmonicity and roughening of Cu surfaces derived from the derivatives of the layer spacings and the surface energies with respect to temperature using the embedded-atom molecular dynamics method. The anharmonicity and roughening of the Cu(110) surface started to increase rapidly ar...

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Veröffentlicht in:Materials science & engineering. A, Structural materials : properties, microstructure and processing Structural materials : properties, microstructure and processing, 1996-10, Vol.217 (1-2), p.112-115
Hauptverfasser: Katagiri, Masahiko, Nozue, Yasuo, Terasaki, Osamu, Kubo, Momoji, Miyamoto, Akira, Vessal, Behnam, R. Coley, Terry, Sean Li, Yongsheng, M. Newsam, John
Format: Artikel
Sprache:eng
Schlagworte:
Embedded atom method
Metal surfaces
Molecular dynamics
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Zusammenfassung:We present the anharmonicity and roughening of Cu surfaces derived from the derivatives of the layer spacings and the surface energies with respect to temperature using the embedded-atom molecular dynamics method. The anharmonicity and roughening of the Cu(110) surface started to increase rapidly around 600 K and 1000 K respectively. In addition, we present the dependence of the surface energy on the temperature for the heteroepitaxial Au/Ag(110) system. The slope of the surface energy was found to be less pronounced compared with that of the free Ag(110) surface system.
ISSN:0921-5093
1873-4936
DOI:10.1016/S0921-5093(96)10298-7