STRUCTURE AND DYNAMICS OF MODEL AG AND PT CLUSTERS

被引：12

作者：

UPPENBRINK, J

WALES, DJ

机构：

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

来源：

ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS | 1993年 / 26卷 / 1-4期

关键词：

D O I：

10.1007/BF01429162

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

The structure and dynamics of model silver and platinum clusters were investigated by performing molecular dynamics calculations with regular quenching along the trajectory. An eigenvector-following routine was used to determine stationary points linking minimum configurations. Clusters of 13 and 14 atoms were studied, using Sutton-Chen potentials suitable for silver and platinum to describe the interatomic interaction. The close relationship between features of the potential energy surface and the dynamic behaviour of the clusters, for example the occurrence of coexistence, is shown. For silver and platinum, very different structural as well as dynamic properties are observed.

引用

页码：258 / 260

页数：3

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