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 Citations (Scopus)

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

Fingerprint

Wales
Carbon Nanotubes
Carbon nanotubes
Tensile strain
carbon nanotubes
rocks
Defects
defects
Molecular dynamics
molecular dynamics

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

Cite this

Song, J. ; Jiang, H. ; Shi, D. L. ; Feng, X. Q. ; Huang, Y. ; Yu, M. F. ; Hwang, K. C. / Stone-Wales transformation : Precursor of fracture in carbon nanotubes. In: International Journal of Mechanical Sciences. 2006 ; Vol. 48, No. 12. pp. 1464-1470.
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Stone-Wales transformation : Precursor of fracture in carbon nanotubes. / Song, J.; Jiang, H.; Shi, D. L.; Feng, X. Q.; Huang, Y.; Yu, M. F.; Hwang, K. C.

In: International Journal of Mechanical Sciences, Vol. 48, No. 12, 01.12.2006, p. 1464-1470.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Stone-Wales transformation

T2 - Precursor of fracture in carbon nanotubes

AU - Song, J.

AU - Jiang, H.

AU - Shi, D. L.

AU - Feng, X. Q.

AU - Huang, Y.

AU - Yu, M. F.

AU - Hwang, K. C.

PY - 2006/12/1

Y1 - 2006/12/1

N2 - 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.

AB - 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.

KW - Bond breakage

KW - Carbon nanotube

KW - Fracture

KW - Stone-Wales transformation

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