MELTING THE FULLERENES - A MOLECULAR-DYNAMICS STUDY

被引：185

作者：

KIM, SG ^{[1
]}

TOMANEK, D ^{[1
]}

机构：

[1] MICHIGAN STATE UNIV,CTR FUNDAMENTAL MAT RES,E LANSING,MI 48824

来源：

PHYSICAL REVIEW LETTERS | 1994年 / 72卷 / 15期

关键词：

D O I：

10.1103/PhysRevLett.72.2418

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We report a molecular dynamics simulation of melting and evaporation of the carbon fullerenes C20, C60, and C240. Several phases, among them a previously unknown ''pretzel'' phase with a three-dimensional structure of multiply connected carbon rings, can be identified above the high initial melting temperature T almost-equal-to 4000 K. At T greater than or similar to 10(4) K, a complete conversion of compact fullerenes to carbon chain fragments is driven by entropy.

引用

页码：2418 / 2421

页数：4

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