Application of the atomic-scale finite element method to buckling and post-buckling of single-walled carbon nanotubes

A. Y T Leung, X. Guo, X. Q. He, H. Jiang, S. Kitipornchai, Y. Huang, J. W Z Lu

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

This paper employs atomic-scale finite element method (AFEM) to study buckling and post-buckling behavior of single-walled carbon nanotube (SWNT). The achieved curve of average strain energy per atom via strain and critical strain for (8, 0) SWNT agree well with the recent molecular dynamics (MD) simulations. In the strain energy curve for (7, 7) SWNT, there are obvious jumps when the morphology changes abruptly, and in the stages of post-buckling, the strain energy changes approximately linearly with strain. The morphology at each characteristic strain can also be obtained in detail. Compared with MD simulations, AFEM only uses much less computing time, thus it is a very efficient way to study buckling and postbuckling of SWNT.

Original languageEnglish (US)
Title of host publicationProceedings of the 10th International Conference on Civil, Structural and Environmental Engineering Computing, Civil-Comp 2005
StatePublished - Dec 1 2005
Event10th International Conference on Civil, Structural and Environmental Engineering Computing, Civil-Comp 2005 - Rome, Italy
Duration: Aug 30 2005Sep 2 2005

Other

Other10th International Conference on Civil, Structural and Environmental Engineering Computing, Civil-Comp 2005
CountryItaly
CityRome
Period8/30/059/2/05

Fingerprint

Single-walled carbon nanotubes (SWCN)
Buckling
Strain energy
Finite element method
Molecular dynamics
Computer simulation
Atoms

Keywords

  • AFEM
  • Buckling and post-buckling
  • SWNT

ASJC Scopus subject areas

  • Civil and Structural Engineering
  • Building and Construction
  • Environmental Engineering

Cite this

Leung, A. Y. T., Guo, X., He, X. Q., Jiang, H., Kitipornchai, S., Huang, Y., & Lu, J. W. Z. (2005). Application of the atomic-scale finite element method to buckling and post-buckling of single-walled carbon nanotubes. In Proceedings of the 10th International Conference on Civil, Structural and Environmental Engineering Computing, Civil-Comp 2005
Leung, A. Y T ; Guo, X. ; He, X. Q. ; Jiang, H. ; Kitipornchai, S. ; Huang, Y. ; Lu, J. W Z. / Application of the atomic-scale finite element method to buckling and post-buckling of single-walled carbon nanotubes. Proceedings of the 10th International Conference on Civil, Structural and Environmental Engineering Computing, Civil-Comp 2005. 2005.
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abstract = "This paper employs atomic-scale finite element method (AFEM) to study buckling and post-buckling behavior of single-walled carbon nanotube (SWNT). The achieved curve of average strain energy per atom via strain and critical strain for (8, 0) SWNT agree well with the recent molecular dynamics (MD) simulations. In the strain energy curve for (7, 7) SWNT, there are obvious jumps when the morphology changes abruptly, and in the stages of post-buckling, the strain energy changes approximately linearly with strain. The morphology at each characteristic strain can also be obtained in detail. Compared with MD simulations, AFEM only uses much less computing time, thus it is a very efficient way to study buckling and postbuckling of SWNT.",
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Leung, AYT, Guo, X, He, XQ, Jiang, H, Kitipornchai, S, Huang, Y & Lu, JWZ 2005, Application of the atomic-scale finite element method to buckling and post-buckling of single-walled carbon nanotubes. in Proceedings of the 10th International Conference on Civil, Structural and Environmental Engineering Computing, Civil-Comp 2005. 10th International Conference on Civil, Structural and Environmental Engineering Computing, Civil-Comp 2005, Rome, Italy, 8/30/05.

Application of the atomic-scale finite element method to buckling and post-buckling of single-walled carbon nanotubes. / Leung, A. Y T; Guo, X.; He, X. Q.; Jiang, H.; Kitipornchai, S.; Huang, Y.; Lu, J. W Z.

Proceedings of the 10th International Conference on Civil, Structural and Environmental Engineering Computing, Civil-Comp 2005. 2005.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

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T1 - Application of the atomic-scale finite element method to buckling and post-buckling of single-walled carbon nanotubes

AU - Leung, A. Y T

AU - Guo, X.

AU - He, X. Q.

AU - Jiang, H.

AU - Kitipornchai, S.

AU - Huang, Y.

AU - Lu, J. W Z

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N2 - This paper employs atomic-scale finite element method (AFEM) to study buckling and post-buckling behavior of single-walled carbon nanotube (SWNT). The achieved curve of average strain energy per atom via strain and critical strain for (8, 0) SWNT agree well with the recent molecular dynamics (MD) simulations. In the strain energy curve for (7, 7) SWNT, there are obvious jumps when the morphology changes abruptly, and in the stages of post-buckling, the strain energy changes approximately linearly with strain. The morphology at each characteristic strain can also be obtained in detail. Compared with MD simulations, AFEM only uses much less computing time, thus it is a very efficient way to study buckling and postbuckling of SWNT.

AB - This paper employs atomic-scale finite element method (AFEM) to study buckling and post-buckling behavior of single-walled carbon nanotube (SWNT). The achieved curve of average strain energy per atom via strain and critical strain for (8, 0) SWNT agree well with the recent molecular dynamics (MD) simulations. In the strain energy curve for (7, 7) SWNT, there are obvious jumps when the morphology changes abruptly, and in the stages of post-buckling, the strain energy changes approximately linearly with strain. The morphology at each characteristic strain can also be obtained in detail. Compared with MD simulations, AFEM only uses much less computing time, thus it is a very efficient way to study buckling and postbuckling of SWNT.

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Leung AYT, Guo X, He XQ, Jiang H, Kitipornchai S, Huang Y et al. Application of the atomic-scale finite element method to buckling and post-buckling of single-walled carbon nanotubes. In Proceedings of the 10th International Conference on Civil, Structural and Environmental Engineering Computing, Civil-Comp 2005. 2005