グラファイト表面におけるキセノン原子散乱挙動の分子動力学的解析(オーガナイズドセッション10 ナノ・マイクロスケール伝熱)

概要

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Recently accurate results of Xe scattering from graphite have been obtained ; 1) the Xe angular distribution is peaked below the specular direction and becomes narrower as the incident energy increases, and 2) the direct scattering channel becomes dominant for high incident energies. Molecular scattering simulations have been employed to investigate these observations. We have employed the Brenner type intraplanar interaction potential and the Lennard-Jones potential for the interplaner interaction. Prom the numerical analyses, it becomes clear that the layered structure of graphite is responsible for the observed collision dynamics. The MD simulations reproduce the experiment for a wide range of initial conditions.
2004-11-10