On the basis of molecular dynamics simulation, a zig-zag (7,0) single-walled carbon nanotubes was examined under axial tension and compression to observe its mechanical behavior and fracture pattern in the absence and presence of Stone-Wales defects coupled with the variation of temperature. A defect-free tube was subjected to tensile or compressive stresses at different temperatures. Then Stone-Wales defects were introduced into it and stress was applied with the increase of temperature. The defective and defect-free tubes showed different fracture patterns with increasing temperature showing significant changes in their mechanical properties. Compression of the tube also reveals interesting changes in its buckling behavior with variation of temperature and inclusion of defects.

Effect of High Temperature and the Presence of Stone-Wales Defects on the Mechanical Behavior of a Single Wall Carbon Nanotube under Tension and Compression. K.Talukdar, A.K.Mitra: Journal of Nanoscience and Nanotechnology, 2011, 11[6], 4824-9