Study of the Nanomechanics of CNTs under Tension by Molecular Dynamics Simulation Using Different Potentials

Figure 4

Stress strain curves for an ideal single-walled 12-12 CNT having length-to-diameter ratio 9.1 at 300 K temperature obtained by Airebo potential [29]. The onset of the cut-off function can be perceived as an artificial peak. The flat regime depicts a sudden bond elongation to a length corresponding to the cut-off. After this flat region, the diameter of CNT drops.