EVAPORATION OF LENNARD-JONES CLUSTERS

被引：23
|
作者：
ROMAN, CE
GARZON, IL
机构：
[1] Instituto de Física, Universidad Nacional Autónoma de México, Ensenada, Baja California, 22800
来源：
ZEITSCHRIFT FUR PHYSIK D-ATOMS MOLECULES AND CLUSTERS | 1991年 / 20卷 / 1-4期
关键词：
D O I：
10.1007/BF01543964
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：
Extensive molecular dynamics simulations have been done to study the evaporation of a 13-atom Lennard-Jones cluster. The survival probability and the evaporative lifetime are calculated as a function of the cluster total energy from a classical trajectory analysis. The results are interpreted in terms of the RRK theory of unimolecular dissociation. The calculation of the binding energy of the evaporated species from the evaporation rate and the average kinetic energy release is discussed.
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页码：163 / 166
页数：4
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