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题名: Study of axial strain-induced torsion of single-wall carbon nanotubes using the 2D continuum anharmonic anisotropic elastic model
作者: Mu, Weihua ;  Li, Ming ;  Wang, Wei ;  Ou-Yang, Zhong-can
刊名: NEW JOURNAL OF PHYSICS
出版日期: 2009
卷号: 11, 期号:1, 页码:-
关键词: HYDROCARBONS ;  NANORELAY
学科分类: Physics
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
部门归属: [Mu, WH; Ou-Yang, ZC] Chinese Acad Sci, Inst Theoret Phys, Key Lab Frontiers Theoret Phys, Beijing 100190, Peoples R China; [Mu, WH; Ou-Yang, ZC] Chinese Acad Sci, Inst Theoret Phys, Kavli Inst Theoret Phys China, Beijing 100190, Peoples R China; [Li, M] Chinese Acad Sci, Grad Univ, Beijing 100190, Peoples R China; [Wang, W] SUNY Albany, CNSE, Albany, NY 12203 USA; [Ou-Yang, ZC] Tsinghua Univ, Ctr Adv Study, Beijing 100084, Peoples R China
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.
收录类别: SCI
原文出处: 查看原文
WOS记录号: WOS:000272153200002
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/5208
Appears in Collections:理论物理所1978-2010年知识产出_期刊论文

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Recommended Citation:
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):-.
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