ITP OpenIR  > 理论物理所科研产出  > SCI论文
Zhou, X; Chen, H; Zhou, JJ; Ou-Yang, ZC; Zhou, X , Acad Sinica, Inst Theoret Phys, POB 2735, Beijing 100080, Peoples R China.
The structure relaxation of carbon nanotube
Source PublicationPHYSICA B
KeywordElectronic-structure Elastic Properties Tubules Fullerenes Energy
AbstractA simple macroscopic continuum elasticity theory (CET) is used to calculate the structure relaxation of a single-wall carbon nanotube (SWNT), an analytic formula is obtained. We also expand an atomic scale three-parameter empirical model (Lenosky et al., Nature 355 (1992) 333) in order to correctly describe the bond-length change effects. The structure relaxation of SWNT expected by the model is in good agreement with our CET results, and very consistent with the previous calculation from a first principles local density functional approximation. Using the expanded Lenosky model, we calculate the strain energy of a bending tube. The obtained results are in agreement with the previous theoretical expectation. It shows that the model may be a good simple replacement of some more sophisticated methods for determining carbon networks deformations. (C) 2001 Elsevier Science B.V. All rights reserved.
2001
ISSN0921-4526
Volume304Issue:40912Pages:86-90
Subject AreaPhysics
Indexed BySCI
Citation statistics
Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/13674
Collection理论物理所科研产出_SCI论文
Corresponding AuthorZhou, X , Acad Sinica, Inst Theoret Phys, POB 2735, Beijing 100080, Peoples R China.
Recommended Citation
GB/T 7714
Zhou, X,Chen, H,Zhou, JJ,et al. The structure relaxation of carbon nanotube[J]. PHYSICA B,2001,304(40912):86-90.
APA Zhou, X,Chen, H,Zhou, JJ,Ou-Yang, ZC,&Zhou, X , Acad Sinica, Inst Theoret Phys, POB 2735, Beijing 100080, Peoples R China..(2001).The structure relaxation of carbon nanotube.PHYSICA B,304(40912),86-90.
MLA Zhou, X,et al."The structure relaxation of carbon nanotube".PHYSICA B 304.40912(2001):86-90.
Files in This Item:
File Name/Size DocType Version Access License
The structure relaxa(114KB) 开放获取LicenseApplication Full Text
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Zhou, X]'s Articles
[Chen, H]'s Articles
[Zhou, JJ]'s Articles
Baidu academic
Similar articles in Baidu academic
[Zhou, X]'s Articles
[Chen, H]'s Articles
[Zhou, JJ]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Zhou, X]'s Articles
[Chen, H]'s Articles
[Zhou, JJ]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.