The effect of two neighboring defects on the mechanical properties of carbon nanotubes

The tensile behavior of single-walled nanotubes (SWNTs) having two defects (vacancy or Stone–Wales) positioned next to each other was simulated in this study to investigate the influence of the spatial arrangement of defects on the mechanical properties. The simulations were performed using classical molecular dynamics (MD) at the atomic scale. Two neighboring vacancy defects reduced the failure strength as much as 46% and the failure strain as much as 80% in comparison with those of pristine SWNTs, while two neighboring Stone–Wales defects reduced them as much as 34% and 70% respectively. SWNTs having two defects in the loading (axial) direction showed higher failure strength than SWNTs with defects perpendicular to the loading direction. For both types of defect, the closer the defects, the weaker the SWNTs. As result, the defect arrangement in the SWNT structure must be one of the key factors in determining its mechanical properties, as well as the population of defects.