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

页码：191 / 195

页数：5

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