PRE-FRAGMENTATION DYNAMICS OF C-60 - A MOLECULAR-DYNAMICS INVESTIGATION

被引：23
|
作者：
SERRA, S [1 ]
SANGUINETTI, S [1 ]
COLOMBO, L [1 ]
机构：
[1] SCUOLA NORMALE SUPER PISA,INST CONDENSED MATTER THEORY,FORUM,I-56100 PISA,ITALY
来源：
CHEMICAL PHYSICS LETTERS | 1994年 / 225卷 / 1-3期
关键词：
D O I：
10.1016/0009-2614(94)00619-9
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：
We investigate by classical molecular dynamics the pre-fragmentation dynamics of a C60 molecule, occurring above 4500 K. and calculate the curve of the caloric equation of state. We discuss the solid-to-liquid transition displayed by C60 just below the disintegration temperature. Moreover, we report on the existence of a phase characterized by hoppings among different isomeric structures. A metastable liquid-like state is observed and discussed as well.
引用
收藏
页码：191 / 195
页数：5
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