Stone-Wales transformation: Precursor of fracture in carbon nanotubes

J. Song, H. Jiang, D. L. Shi, X. Q. Feng, Y. Huang*, M. F. Yu, K. C. Hwang

*Corresponding author for this work

Research output: Contribution to journalArticle

31 Scopus citations

Abstract

The fracture strain of carbon nanotubes (CNTs) obtained by molecular dynamics is about 30%, which is much higher than the experimental results (10-13%). The present study shows that this difference results mainly from defects in CNTs. As the tensile strain reaches a few percent, defects are nucleated in the form of Stone-Wales transformation (90° rotation of a bond). A bond in the vicinity of rotated bond breaks as the tensile strain reaches about 13%, which agrees well with the experimental results. Therefore, the Stone-Wales transformation is the precursor of CNT fracture.

Original languageEnglish (US)
Pages (from-to)1464-1470
Number of pages7
JournalInternational Journal of Mechanical Sciences
Volume48
Issue number12
DOIs
StatePublished - Dec 1 2006

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Keywords

  • Bond breakage
  • Carbon nanotube
  • Fracture
  • Stone-Wales transformation

ASJC Scopus subject areas

  • Civil and Structural Engineering
  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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