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

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 proceeding › Conference 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 language	English (US)
Title of host publication	Proceedings of the 10th International Conference on Civil, Structural and Environmental Engineering Computing, Civil-Comp 2005
State	Published - Dec 1 2005
Externally published	Yes
Event	10th International Conference on Civil, Structural and Environmental Engineering Computing, Civil-Comp 2005 - Rome, Italy Duration: Aug 30 2005 → Sep 2 2005

Publication series

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

Other

Other	10th International Conference on Civil, Structural and Environmental Engineering Computing, Civil-Comp 2005
Country	Italy
City	Rome
Period	8/30/05 → 9/2/05

Keywords

AFEM
Buckling and post-buckling
SWNT

ASJC Scopus subject areas

Civil and Structural Engineering
Building and Construction
Environmental Engineering

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

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

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

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. 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.

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