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 c...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°（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.展开更多
基金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）.
文摘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°（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.
