The fracture of achiral C nanotubes with one atomic vacancy was studied. Non-uniform variation of the fracture strain was observed from molecular mechanics simulations, and an elastic shell model was developed to describe the research findings. Hardening and softening domains near the edges of the tubes were specifically positioned. The effectiveness of the continuum mechanics model was further verified by molecular mechanics simulations. In addition, the dependence of hardening or softening domains on the length and diameter of the C nanotubes was investigated. The rupture progress of defected C nanotubes with the vacancy at different locations was observed from molecular mechanics simulations, and adequate physical interpretations of the block-tearing fracture mode were provided.

Modeling of Fracture of Carbon Nanotubes with Vacancy Defect. Q.Wang, W.H.Duan, N.L.Richards, K.M.Liew: Physical Review B, 2007, 75[20], 201405 (4pp)