Molecular dynamics simulation on mechanicalproperty of carbon nanotube torsional deformation |
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Authors: | Chen Ming-Jun Liang Ying-Chun Li Hong-Zhu and Li Dan |
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Institution: | Precision Engineering Research Institute, Harbin Institute of Technology, Harbin 150001, China |
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Abstract: | In this paper torsional deformation of the carbon nanotubes is simulated by
molecular dynamics method. The Brenner potential is used to set up the simulation
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. |
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Keywords: | carbon nanotube molecular
dynamics Brenner potential function torsional deformation |
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