Argon scattering from liquid indium: Simulations with embedded atom potentials and experiment

被引：24

作者：

Chase, D

Manning, M

Morgan, JA

Nathanson, GM

Gerber, RB ^{[1
]}

机构：

[1] Hebrew Univ Jerusalem, Dept Phys Chem, IL-91904 Jerusalem, Israel

[2] Hebrew Univ Jerusalem, Fritz Haber Res Ctr, IL-91904 Jerusalem, Israel

[3] Univ Wisconsin, Dept Chem, Madison, WI 53706 USA

[4] Univ Calif Irvine, Dept Chem, Irvine, CA 92697 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2000年 / 113卷 / 20期

关键词：

D O I：

10.1063/1.1287715

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

An embedded-atom type potential for liquid indium is developed by fitting bulk liquid thermodynamic and structural data. An empirical pairwise Ar-In interaction is also proposed. Molecular-dynamics simulations of argon scattering from liquid indium are carried out and compared with molecular beam scattering data. Very good agreement is found between the experimental and theoretical angular and energy scattering distributions. This supports the potential functions used. Implications for the atomic-scale structure of liquid In and for gas-surface energy transfer are briefly discussed. (C) 2000 American Institute of Physics. [S0021-9606(00)70733-1].

引用

页码：9279 / 9287

页数：9

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