Molecular-dynamics simulations of solid C-60 and C-70 through a spherical two-body potential

被引：38

作者：

Abramo, MC

Caccamo, C

机构：

[1] Dipartimento di Fisica, Univ. degli Studi Messina, C.P. 50

来源：

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS | 1996年 / 57卷 / 11期

关键词：

fullerene; crystal structure;

D O I：

10.1016/0022-3697(96)00043-1

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Molecular dynamics calculations of bulk properties of solid C-60 and C-70, simulated in terms of a simple two-body potential, are presented. The bulk moduli and the room temperature equations of state are determined and compared with the available experimental data. The change in the lattice parameters as a function of pressure and temperature is also investigated.

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收藏

页码：1751 / 1755

页数：5

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