Atomistic simulations of uniaxial tensile behaviors of single-walled carbon nanotubes

P. Liu; Y. W. Zhang; H. P. Lee; C. Lu

doi:10.1080/08927020410001704951

Atomistic simulations of uniaxial tensile behaviors of single-walled carbon nanotubes

P. Liu
, Y. W. Zhang^*
, H. P. Lee
, C. Lu

^*Corresponding author for this work

Agency for Science, Technology and Research, Singapore
National University of Singapore

Research output: Contribution to journal › Article › peer-review

16 Scopus citations

Abstract

Atomistic simulations, using the second-generation reactive empirical bond order (REBO) potential, are performed to investigate the uniaxial tensile behaviors of single-walled carbon nanotubes (SWCNTs). It is found that the effect of the nanotube diameters on the elastic modulus, the tensile strength and the stress vs. strain relation of SWCNTs is small yet noticeable. However, the effect of the degree of helicity is significant.

Original language	English
Pages (from-to)	543-547
Number of pages	5
Journal	Molecular Simulation
Volume	30
Issue number	8
DOIs	https://doi.org/10.1080/08927020410001704951
State	Published - 15 Jul 2004
Externally published	Yes

Keywords

Atomistic simulation
Carbon nanotube
Mechanical properties
Nanotube

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10.1080/08927020410001704951

Cite this

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abstract = "Atomistic simulations, using the second-generation reactive empirical bond order (REBO) potential, are performed to investigate the uniaxial tensile behaviors of single-walled carbon nanotubes (SWCNTs). It is found that the effect of the nanotube diameters on the elastic modulus, the tensile strength and the stress vs. strain relation of SWCNTs is small yet noticeable. However, the effect of the degree of helicity is significant.",

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AU - Lee, H. P.

AU - Lu, C.

PY - 2004/7/15

Y1 - 2004/7/15

N2 - Atomistic simulations, using the second-generation reactive empirical bond order (REBO) potential, are performed to investigate the uniaxial tensile behaviors of single-walled carbon nanotubes (SWCNTs). It is found that the effect of the nanotube diameters on the elastic modulus, the tensile strength and the stress vs. strain relation of SWCNTs is small yet noticeable. However, the effect of the degree of helicity is significant.

AB - Atomistic simulations, using the second-generation reactive empirical bond order (REBO) potential, are performed to investigate the uniaxial tensile behaviors of single-walled carbon nanotubes (SWCNTs). It is found that the effect of the nanotube diameters on the elastic modulus, the tensile strength and the stress vs. strain relation of SWCNTs is small yet noticeable. However, the effect of the degree of helicity is significant.

KW - Atomistic simulation

KW - Carbon nanotube

KW - Mechanical properties

KW - Nanotube

UR - https://www.scopus.com/pages/publications/11144311884

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DO - 10.1080/08927020410001704951

M3 - 文章

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Atomistic simulations of uniaxial tensile behaviors of single-walled carbon nanotubes

Abstract

Keywords

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