Molecular mechanics of structural properties of boron nitride nanotubes

被引：53
|
作者：
Moon, WH [1 ]
Hwang, HJ [1 ]
机构：
[1] Chung Ang Univ, Dept Elect & Elect Engn, Seoul 156756, South Korea
来源：
PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES | 2004年 / 23卷 / 1-2期
基金：
新加坡国家研究基金会;
关键词：
boron nitride nanotubes; molecular mechanics; buckling; strain energy;
D O I：
10.1016/j.physe.2003.11.273
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
The optimized structure of boron nitride nanotubes is investigated, based on the Universal force field. Bond length, diameter deviation, and buckling of boron nitride nanotubes increase with decreasing diameter. This is caused by different hybridizations of boron and nitrogen in the curved surface. Strain energy also decreases, which is proportional to the inverse square of the tube diameter, with larger diameter on the basis of continuum elastic theory. (C) 2003 Elsevier B.V. All rights reserved.
引用
收藏
页码：26 / 30
页数：5
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