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
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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