Structural properties of diamond nanorods: molecular-dynamics simulations

被引：10
|
作者：
Malcioglu, OB [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 | 2003年 / 14卷 / 04期
关键词：
diamond nanorod; molecular-dynamics; empirical potential;
D O I：
10.1142/S0129183103004644
中图分类号：
TP39 [计算机的应用];
学科分类号：
081203 ; 0835 ;
摘要：
The structural properties of carbon nanorods obtained from diamond crystal have been investigated by performing molecular-dynamics computer simulations. Calculations have been realized by using an empirical many-body potential energy function for carbon. Diamond nanorods have been generated from three low-index planes of diamond crystal. It has been found that the average coordination number, cross-section geometry, and surface orientation from which the nanorod is generated play a role in the stability of diamond nanorods under heat treatment. The most stable diamond nanorod has been obtained from the (111) surface.
引用
收藏
页码：441 / 447
页数：7
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