The molecular study on the buckling modes of single-walled carbon nanotubes

I. Ling Chang, Yu Shin Fan, Shih Hsiang Chang

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Abstract

Various lengths and helical types (i.e., armchair, zigzag and chiral) of single-walled CNTs are considered in molecular dynamics simulations in order to systematically examine the length-to-radius ratio and chirality effects on the buckling mechanism. Proper boundary conditions are imposed to induce different buckling modes. It is observed that the buckling strain is getting smaller as the CNT becomes slender for most nanotubes, which implies that the slender nanotubes have lower buckling resistance regardless the buckling mode and chirality. The column buckling of the CNTs at lower buckling mode will transform into shell wall buckling at higher mode if the length-to-radius of each constrained section is less than 10. The applicability of the continuum buckling theory, which has been well developed for thin tubes, on predicting the buckling strain of the CNT is also examined. In general, the corresponding buckling strain at different modes predicted by the continuum column buckling theory could agree reasonably well with simulation results except those exhibit shell wall buckling.

Original languageEnglish
Pages (from-to)330-335
Number of pages6
JournalJournal of Computational and Theoretical Nanoscience
Volume9
Issue number3
DOIs
Publication statusPublished - 2012 Mar 1

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All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Computational Mathematics
  • Electrical and Electronic Engineering

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