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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
Study of axial strain-induced torsion of single-wall carbon nanotubes using the 2D continuum anharmonic anisotropic elastic model
Source PublicationNEW JOURNAL OF PHYSICS
KeywordHydrocarbons Nanorelay
AbstractRecent 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.
2009
ISSN1367-2630
Volume11Issue:1Pages:-
Subject AreaPhysics
Indexed BySCI
Citation statistics
Cited Times:16[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/5208
Collection理论物理所科研产出_SCI论文
Corresponding AuthorMu, WH , Chinese Acad Sci, Inst Theoret Phys, Key Lab Frontiers Theoret Phys, POB 2735, Beijing 100190, Peoples R China, Peoples R China
Recommended Citation
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):-.
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