Study of axial strain-induced torsion of single-wall carbon nanotubes using the 2D continuum anharmonic anisotropic elastic model

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	Study of axial strain-induced torsion of single-wall carbon nanotubes using the 2D continuum anharmonic anisotropic elastic model
	Mu, Weihua; Li, Ming; Wang, Wei; Ou-Yang, Zhong-can; Mu, WH , Chinese Acad Sci, Inst Theoret Phys, Key Lab Frontiers Theoret Phys, POB 2735, Beijing 100190, Peoples R China, Peoples R China
刊名	NEW JOURNAL OF PHYSICS
	2009
卷号	11 期号:1 页码:-
关键词	Hydrocarbons Nanorelay
ISSN号	1367-2630
英文摘要	Recent molecular dynamic simulations have found that chiral single-walled carbon nanotubes (SWCNTs) twist during stretching, resembling the motion of a screw. Obviously this phenomenon, as a type of curvature-chirality effect, cannot be explained by the usual isotropic elastic theory of SWCNTs. More interestingly, with larger axial strains (before buckling), the axial strain-induced torsion (a-SIT) shows asymmetric behaviors for axial tensile and compressing strains, which suggests the anharmonic elasticity of SWCNTs plays an important role in real a-SIT responses. In order to study the a-SIT of chiral SWCNTs with actual sizes, and to avoid possible deviation of computer simulation results due to the finite-size effect, we propose a two-dimensional (2D) analytical continuum model which can be used to describe SWCNTs of arbitrary chirality, curvature, and length, and which is concerned with their anisotropic and anharmonic elasticity. The elastic energy of the present model comes from the continuum limit of lattice energy based on second generation reactive empirical bond order potential (REBO-II), a well-established empirical potential for solid carbons. Our model has no adjustable parameters, except for those presented in REBO-II, and all the coefficients in the model can be calculated analytically. Using our method, we obtain the a-SIT responses of chiral SWCNTs with arbitrary radii, chiralities and lengths. Our results are in reasonable agreement with recent molecular dynamic simulations (Liang et al 2006 Phys. Rev. Lett. 96 165501). Our approach can also be used to calculate other curvature-chirality-dependent anharmonic mechanical responses of SWCNTs.
学科主题	Physics
URL标识	查看原文
WOS记录号	WOS:000272153200002
公开日期	2012-08-02
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/5208]
专题	理论物理研究所_理论物理所1978-2010年知识产出
通讯作者	Mu, WH , Chinese Acad Sci, Inst Theoret Phys, Key Lab Frontiers Theoret Phys, POB 2735, Beijing 100190, Peoples R China, Peoples R China
推荐引用方式 GB/T 7714	Mu, Weihua,Li, Ming,Wang, Wei,et al. Study of axial strain-induced torsion of single-wall carbon nanotubes using the 2D continuum anharmonic anisotropic elastic model[J]. NEW JOURNAL OF PHYSICS,2009,11(1):-.
APA	Mu, Weihua,Li, Ming,Wang, Wei,Ou-Yang, Zhong-can,&Mu, WH , Chinese Acad Sci, Inst Theoret Phys, Key Lab Frontiers Theoret Phys, POB 2735, Beijing 100190, Peoples R China, Peoples R China.(2009).Study of axial strain-induced torsion of single-wall carbon nanotubes using the 2D continuum anharmonic anisotropic elastic model.NEW JOURNAL OF PHYSICS,11(1),-.
MLA	Mu, Weihua,et al."Study of axial strain-induced torsion of single-wall carbon nanotubes using the 2D continuum anharmonic anisotropic elastic model".NEW JOURNAL OF PHYSICS 11.1(2009):-.