Effect of chirality on the stability of carbon nanotubes :: Molecular-dynamics simulations

被引：14

作者：

Erkoç, S ^{[1
]}

Malcioglu, OB ^{[1
]}

机构：

[1] Middle E Tech Univ, Dept Phys, TR-06531 Ankara, Turkey

来源：

INTERNATIONAL JOURNAL OF MODERN PHYSICS C | 2001年 / 12卷 / 06期

关键词：

molecular-dynamics; empirical potential; carbon nanotubes;

D O I：

10.1142/S0129183101002036

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

The effect of chirality on the structural stability of single-wall carbon nanotubes have been investigated by performing molecular-dynamics computer simulations. Calculations have been realized by using an empirical many-body potential energy function for carbon. It has been found that carbon nanotube in chiral structure is more stable under heat treatment relative to zigzag and armchair models. The diameter of the tubes is slightly enlarged under heat treatment.

引用

页码：865 / 870

页数：6

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