中国物理B ›› 2006, Vol. 15 ›› Issue (11): 2676-2681.doi: 10.1088/1009-1963/15/11/036

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Molecular dynamics simulation on mechanicalproperty of carbon nanotube torsional deformation

陈明君, 梁迎春, 李洪珠, 李旦   

  1. Precision Engineering Research Institute, Harbin Institute of Technology, Harbin 150001, China
  • 收稿日期:2005-05-28 修回日期:2006-03-20 出版日期:2006-11-20 发布日期:2006-11-20
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No 50405011) and the Natural Science Foundation of Heilongjiang Province of China (Grant No E0218).

Molecular dynamics simulation on mechanicalproperty of carbon nanotube torsional deformation

Chen Ming-Jun(陈明君)†, Liang Ying-Chun(梁迎春), Li Hong-Zhu(李洪珠), and Li Dan(李旦)   

  1. Precision Engineering Research Institute, Harbin Institute of Technology, Harbin 150001, China
  • Received:2005-05-28 Revised:2006-03-20 Online:2006-11-20 Published:2006-11-20
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No 50405011) and the Natural Science Foundation of Heilongjiang Province of China (Grant No E0218).

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摘要： In this paper torsional deformation of the carbon nanotubes is simulated by molecular dynamics method. The Brenner potential is used to set up thesimulation system. Simulation results show that the carbon nanotubes can bear larger torsional deformation, for the armchair type (10,10) single wall carbon nanotubes, with a yielding phenomenon taking place when the torsional angle is up to 63$^{\circ}$(1.1rad). The influence of carbon nanotube helicity in torsional deformation is very small. The shear modulus of single wall carbon nanotubes should be several hundred GPa, not 1\,GPa as others reports.

关键词: carbon nanotube, molecular dynamics, Brenner potential function, torsional deformation

Abstract: In this paper torsional deformation of the carbon nanotubes is simulated by molecular dynamics method. The Brenner potential is used to set up thesimulation system. Simulation results show that the carbon nanotubes can bear larger torsional deformation, for the armchair type (10,10) single wall carbon nanotubes, with a yielding phenomenon taking place when the torsional angle is up to 63$^{\circ}$(1.1rad). The influence of carbon nanotube helicity in torsional deformation is very small. The shear modulus of single wall carbon nanotubes should be several hundred GPa, not 1 GPa as others reports.

Key words: carbon nanotube, molecular dynamics, Brenner potential function, torsional deformation

中图分类号:  (Mechanical properties of nanoscale systems)

  • 62.25.-g
61.46.Fg (Nanotubes)