Fig. 1. Simulation models of SWNTs with embedded defects.

(A) Definition of the simulation protocol for a defective SWNT (length, 170 Å) under axial tension: a constant strain rate $\stackrel{.}{\mathrm{\epsilon }}$ is applied at the CNT free end, with resulting far-field stress σ_ff and maximum stress σ_max. (B) Simulation models of armchair SWNTs [(10, 10) chirality] with Stone-Wales (a) and vacancy (b to i) defects. The number of missing atoms in vacancies is indicated. (C) Simulation models of zigzag SWNTs [(17, 0) chirality] with Stone-Wales (a) and vacancy (b to i) defects.