MELTING THE FULLERENES - A MOLECULAR-DYNAMICS STUDY

被引：184
|
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.
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页码：2418 / 2421
页数：4
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