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A nonlocal shell model for mode transformation in single-walled carbon nanotubes

M X Shi1,2, Q M Li1,4 and Y Huang3

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A second-order strain gradient nonlocal shell model is established to study the mode transformation in single-walled carbon nanotubes (SWCNTs). Nonlocal length is calibrated carefully for SWCNTs in reference to molecular dynamics (MD) simulations through analysis of nonlocal length effects on the frequencies of the radial breathing mode (RBM) and circumferential flexural modes (CFMs) and its effects on mode transformation. All analyses show that only a negative second-order nonlocal shell model is appropriate to SWCNTs. Nonlocal length is evidently related to vibration modes and the radius-to-thickness ratio. It is found that a nonlocal length is approximately 0.1 nm in an average sense when RBM frequency is concerned. A nonlocal length of 0.122–0.259 nm is indicated for the mode transformation in a selected group of armchair SWCNTs. 2:1 and 1:1 internal resonances are found for the same SWCNT based on different models, which implies that the internal resonance mechanism depends on the model employed. Furthermore, it is shown that an effective thickness of approximately 0.1 nm is more appropriate to SWCNTs than 0.066 nm.


PACS

81.40.Lm Deformation, plasticity, and creep

61.46.Fg Nanotubes

62.20.F- Deformation and plasticity

Subjects

Nanoscale science and low-D systems

Condensed matter: structural, mechanical & thermal

Dates

Issue 45 (11 November 2009)

Received 18 May 2009, in final form 8 September 2009

Published 21 October 2009



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