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Interatomic Potentials for Metal/Metal Wetting Systems

Journal Materials Science Forum (Volume 502)
Volume New Frontiers of Processing and Engineering in Advanced Materials
Edited by Masaaki Naka and Toshimi Yamane
Pages 75-80
DOI 10.4028/www.scientific.net/MSF.502.75
Citation Takehiko Makino et al., 2005, Materials Science Forum, 502, 75
Online since December, 2005
Authors Takehiko Makino, Atsushi Kubo, Hiroki Iida, Shun Ichiro Tanaka
Keywords Interatomic Potentials, Molecular Dynamic Simulation, Surface Alloy, Wetting System
Abstract

Considering the uniqueness of wetting systems consisting of three components, namely, the surface, liquid and liquid/solid interface, it is desirable to construct interatomic potentials following a consistent policy. To investigate the physical meaning of the behavior in terms of the interatomic potentials, the wetting systems are modeled by simple two-body interatomic potentials derived using ab initio molecular orbital calculations for hypothetical clusters representing the above three components. For In and Sn liquid atoms, spreading occurs on a Cu (111) surface, while in contrast, liquid atoms penetrate the substrate and form a surface alloy in the case of a Pd (111) surface.

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