A comparison of different interatomic potentials: Radius effect of single wall carbon nanotubes

Hanqing Jiang; Y. Huang; K. C. Hwang

doi:10.1007/978-1-4020-5624-6_12

A comparison of different interatomic potentials: Radius effect of single wall carbon nanotubes

Hanqing Jiang, Y. Huang, K. C. Hwang

Mechanical and Aerospace Engineering

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

3 Scopus citations

Abstract

We have compared Brenner's (1990) interatomic potential and Brenner et al.'s (2002) second-generation potential on the radius effect of single wall carbon nanotubes. Our analysis is based on the modified Cauchy-Born rule to incorporate the interatomic potential into a continuum analysis. The results have shown that Brenner et al.'s (2002) second-generation potential gives more accurate equilibrium bond length. These potentials also display rather different radius dependence of the Young's modulus and simple tension and pure torsion behavior of single wall carbon nanotubes.

Original language	English (US)
Title of host publication	IUTAM Symposium on Mechanical Behavior and Micro-Mechanics of Nanostructured Materials - Proceedings of the IUTAM Symposium
Publisher	Springer Verlag
Pages	121-134
Number of pages	14
ISBN (Print)	1402056230, 9781402056239
DOIs	https://doi.org/10.1007/978-1-4020-5624-6_12
State	Published - 2007
Event	IUTAM Symposium on Mechanical Behavior and Micro-Mechanics of Nanostructured Materials - Beijing, China Duration: Jun 27 2005 → Jun 30 2005

Publication series

Name	Solid Mechanics and its Applications
Volume	144
ISSN (Print)	1875-3507

Other

Other	IUTAM Symposium on Mechanical Behavior and Micro-Mechanics of Nanostructured Materials
Country/Territory	China
City	Beijing
Period	6/27/05 → 6/30/05

Keywords

Carbon nanotubes
Interatomic potential
Radius effect

ASJC Scopus subject areas

Civil and Structural Engineering
Automotive Engineering
Aerospace Engineering
Acoustics and Ultrasonics
Mechanical Engineering

Access to Document

10.1007/978-1-4020-5624-6_12

Cite this

Jiang, H., Huang, Y., & Hwang, K. C. (2007). A comparison of different interatomic potentials: Radius effect of single wall carbon nanotubes. In IUTAM Symposium on Mechanical Behavior and Micro-Mechanics of Nanostructured Materials - Proceedings of the IUTAM Symposium (pp. 121-134). (Solid Mechanics and its Applications; Vol. 144). Springer Verlag. https://doi.org/10.1007/978-1-4020-5624-6_12

A comparison of different interatomic potentials: Radius effect of single wall carbon nanotubes. / Jiang, Hanqing; Huang, Y.; Hwang, K. C.
IUTAM Symposium on Mechanical Behavior and Micro-Mechanics of Nanostructured Materials - Proceedings of the IUTAM Symposium. Springer Verlag, 2007. p. 121-134 (Solid Mechanics and its Applications; Vol. 144).

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

Jiang, H, Huang, Y & Hwang, KC 2007, A comparison of different interatomic potentials: Radius effect of single wall carbon nanotubes. in IUTAM Symposium on Mechanical Behavior and Micro-Mechanics of Nanostructured Materials - Proceedings of the IUTAM Symposium. Solid Mechanics and its Applications, vol. 144, Springer Verlag, pp. 121-134, IUTAM Symposium on Mechanical Behavior and Micro-Mechanics of Nanostructured Materials, Beijing, China, 6/27/05. https://doi.org/10.1007/978-1-4020-5624-6_12

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abstract = "We have compared Brenner's (1990) interatomic potential and Brenner et al.'s (2002) second-generation potential on the radius effect of single wall carbon nanotubes. Our analysis is based on the modified Cauchy-Born rule to incorporate the interatomic potential into a continuum analysis. The results have shown that Brenner et al.'s (2002) second-generation potential gives more accurate equilibrium bond length. These potentials also display rather different radius dependence of the Young's modulus and simple tension and pure torsion behavior of single wall carbon nanotubes.",

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N2 - We have compared Brenner's (1990) interatomic potential and Brenner et al.'s (2002) second-generation potential on the radius effect of single wall carbon nanotubes. Our analysis is based on the modified Cauchy-Born rule to incorporate the interatomic potential into a continuum analysis. The results have shown that Brenner et al.'s (2002) second-generation potential gives more accurate equilibrium bond length. These potentials also display rather different radius dependence of the Young's modulus and simple tension and pure torsion behavior of single wall carbon nanotubes.

AB - We have compared Brenner's (1990) interatomic potential and Brenner et al.'s (2002) second-generation potential on the radius effect of single wall carbon nanotubes. Our analysis is based on the modified Cauchy-Born rule to incorporate the interatomic potential into a continuum analysis. The results have shown that Brenner et al.'s (2002) second-generation potential gives more accurate equilibrium bond length. These potentials also display rather different radius dependence of the Young's modulus and simple tension and pure torsion behavior of single wall carbon nanotubes.

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A comparison of different interatomic potentials: Radius effect of single wall carbon nanotubes

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Keywords

ASJC Scopus subject areas

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