MELTING OF GOLD MICROCLUSTERS

被引:71
作者
GARZON, IL [1 ]
JELLINEK, J [1 ]
机构
[1] ARGONNE NATL LAB, DIV CHEM, ARGONNE, IL 60439 USA
来源
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS | 1991年 / 20卷 / 1-4期
关键词
MOLECULAR-DYNAMICS; STRUCTURAL-PROPERTIES; CLUSTERS;
D O I
10.1007/BF01543981
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 transition from solid-like to liquid-like behavior in Au(n), n = 6, 7, 13, clusters is studied using molecular dynamics simulations. A Gupta-type potential with all-neighbour interactions is employed to incorporate n-body effects. The melting-like transition is described in terms of short-time averages of the kinetic energy per particle, root-mean-square bond length fluctuations and mean square displacements. A comparison between melting temperatures of Au(n) and Ni(n) clusters is presented.
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页码:235 / 238
页数:4
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