MOLECULAR-DYNAMICS SIMULATION OF ARGON PHYSISORBED ON MAGNESIUM-OXIDE

被引：14

作者：

ALAVI, A

MCDONALD, IR

机构：

[1] Department of Chemistry, University of Cambridge, Cambridge, CB2 1EW, Lensfield Road

来源：

MOLECULAR PHYSICS | 1990年 / 69卷 / 04期

关键词：

D O I：

10.1080/00268979000100521

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：

Molecular-dynamics calculations have been carried out for a model of argon physisorbed on the (100) surface of magnesium oxide. The commensurate solid at full monolayer coverage is shown to melt by second-layer promotion. At lower coverages, the system is found to evolve spontaneously to a lattice-fluid state in which motion of the argon atoms is largely confined to the (10) channels between magnesium sites. Comparison is made with the results of recent experiments and with the predictions of the jump-diffusion model of Chudley and Elliott. © 1990 Taylor & Francis Ltd.

引用

页码：703 / 713

页数：11