A $(10\mathrm{}\times 10)$ single-walled carbon nanotube consisting of 400 atoms with 20 layers is simulated under tensile loading using our developed $O\left(N\right)\mathrm{}$ parallel tight-binding molecular-dynamics algorithms. It is observed that the simulated carbon nanotube is able to carry the strain up to 122% of the relaxed tube length in elongation and up to 93% for compression. Young’s modulus, tensile strength, and the Poisson ratio are calculated and the values found are 0.311 TPa, 4.92 GPa, and 0.287, respectively. The stress-strain curve is obtained. The elastic limit is observed at a strain rate of 0.09 while the breaking point is at 0.23. The frequency of vibration for the pristine $(10\mathrm{}\times 10)$ carbon nanotube in the radial direction is $4.71\times {10}^3\mathrm{GHz}$ and it is sensitive to the strain rate.

• Received 17 July 2002

DOI:https://doi.org/10.1103/PhysRevB.67.035416