Mechanical properties of single-walled carbon nanotubes - A finite element approach

Cheng Wen Fan, Jhih Hua Huang, Chyanbin Hwu, Yu Yang Liu

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

19 Citations (Scopus)

Abstract

In this paper, the mechanical properties, such as the axial and radial Young's moduli, shear moduli, buckling loads and natural frequencies, of single-walled carbon nanotubes, are estimated by a finite element approach. Each carbon nanotube is simulated as a frame-like structure and the primary bonds between two nearest-neighboring atoms are treated as isotropic beam members with a uniform circular cross-section. In the modeling work, the BEAM4 element in commercial code ANSYS is selected to simulate the carbon bonds and the atoms are nodes. As to the input parameters of the BEAM4 element, they are determined via the concept of energy equivalence between molecular dynamics and structural mechanics, and represented in terms of the force constants of the carbon bonds found in molecular mechanics. Based on this modeling concept, finite element models of both armchair and zigzag types of carbon nanotubes with different sizes are established and the mechanical properties of these tubes are then effectively predicted. Most of the computed results which can be compared with existing results show good agreement. Moreover, the effects of tube diameter, length etc., on the mechanical properties are also investigated.

Original languageEnglish
Title of host publicationAdvances in Fracture and Materials Behavior - Selected, peer reviewed papers of the Seventh International Conference on Fracture and Strength of Solids (FEOFS2007)
PublisherTrans Tech Publications
Pages937-942
Number of pages6
ISBN (Print)0878493999, 9780878493999
Publication statusPublished - 2008 Jan 1
Event7th International Conference on Fracture and Strength of Solids, FEOFS 2007 - Urumqi, China
Duration: 2007 Aug 272007 Aug 29

Publication series

NameAdvanced Materials Research
Volume33-37 PART 2
ISSN (Print)1022-6680

Other

Other7th International Conference on Fracture and Strength of Solids, FEOFS 2007
CountryChina
CityUrumqi
Period07-08-2707-08-29

Fingerprint

Single-walled carbon nanotubes (SWCN)
Mechanical properties
Carbon nanotubes
Elastic moduli
Atoms
Molecular mechanics
Carbon
Buckling
Molecular dynamics
Loads (forces)
Natural frequencies
Mechanics

All Science Journal Classification (ASJC) codes

  • Engineering(all)

Cite this

Fan, C. W., Huang, J. H., Hwu, C., & Liu, Y. Y. (2008). Mechanical properties of single-walled carbon nanotubes - A finite element approach. In Advances in Fracture and Materials Behavior - Selected, peer reviewed papers of the Seventh International Conference on Fracture and Strength of Solids (FEOFS2007) (pp. 937-942). (Advanced Materials Research; Vol. 33-37 PART 2). Trans Tech Publications.
Fan, Cheng Wen ; Huang, Jhih Hua ; Hwu, Chyanbin ; Liu, Yu Yang. / Mechanical properties of single-walled carbon nanotubes - A finite element approach. Advances in Fracture and Materials Behavior - Selected, peer reviewed papers of the Seventh International Conference on Fracture and Strength of Solids (FEOFS2007). Trans Tech Publications, 2008. pp. 937-942 (Advanced Materials Research).
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Fan, CW, Huang, JH, Hwu, C & Liu, YY 2008, Mechanical properties of single-walled carbon nanotubes - A finite element approach. in Advances in Fracture and Materials Behavior - Selected, peer reviewed papers of the Seventh International Conference on Fracture and Strength of Solids (FEOFS2007). Advanced Materials Research, vol. 33-37 PART 2, Trans Tech Publications, pp. 937-942, 7th International Conference on Fracture and Strength of Solids, FEOFS 2007, Urumqi, China, 07-08-27.

Mechanical properties of single-walled carbon nanotubes - A finite element approach. / Fan, Cheng Wen; Huang, Jhih Hua; Hwu, Chyanbin; Liu, Yu Yang.

Advances in Fracture and Materials Behavior - Selected, peer reviewed papers of the Seventh International Conference on Fracture and Strength of Solids (FEOFS2007). Trans Tech Publications, 2008. p. 937-942 (Advanced Materials Research; Vol. 33-37 PART 2).

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

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AB - In this paper, the mechanical properties, such as the axial and radial Young's moduli, shear moduli, buckling loads and natural frequencies, of single-walled carbon nanotubes, are estimated by a finite element approach. Each carbon nanotube is simulated as a frame-like structure and the primary bonds between two nearest-neighboring atoms are treated as isotropic beam members with a uniform circular cross-section. In the modeling work, the BEAM4 element in commercial code ANSYS is selected to simulate the carbon bonds and the atoms are nodes. As to the input parameters of the BEAM4 element, they are determined via the concept of energy equivalence between molecular dynamics and structural mechanics, and represented in terms of the force constants of the carbon bonds found in molecular mechanics. Based on this modeling concept, finite element models of both armchair and zigzag types of carbon nanotubes with different sizes are established and the mechanical properties of these tubes are then effectively predicted. Most of the computed results which can be compared with existing results show good agreement. Moreover, the effects of tube diameter, length etc., on the mechanical properties are also investigated.

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Fan CW, Huang JH, Hwu C, Liu YY. Mechanical properties of single-walled carbon nanotubes - A finite element approach. In Advances in Fracture and Materials Behavior - Selected, peer reviewed papers of the Seventh International Conference on Fracture and Strength of Solids (FEOFS2007). Trans Tech Publications. 2008. p. 937-942. (Advanced Materials Research).