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Using Brenner's bond-order potential to represent the interaction of the in-plane CZC bond, an armchair (8,8) single-walled carbon nanotube is investigated by molecular dynamics simulation under axial loading and twist, both for perfect and imperfect lattices introducing an increasing number of Stone-Wales (SW) defects. The Young modulus, shear modulus, tensile strength, shear strength, ductility, stiffness and toughness are computed. All the mechanical characteristics are found to change appreciably by the inclusion of SW defects. Two distinct patterns of fracture mode are observed with odd and even numbers of defects. A clear evidence of the defect -defect interaction is observed when more than one defect is included.

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On the basis of molecular dynamics simulation, a zigzag (7, 0) SWCNT is examined under axial tension and compression to observe its mechanical behavior and fracture pattern in the absence and presence of Stone-Wales (SW) defects coupled with the variation of temperature. A defect-free tube is subjected to tensile or compressive stresses at different temperatures. Then SW defects are introduced into it and stress is applied with the increase of temperature. The defective and defect-free tubes show 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.

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