Mechanical properties of defective single wall carbon nanotubes

First principle density functional theory calculations for radially deformed and defective single wall (8,0) carbon nanotube are reported. Structural changes in terms of radial cross-sectional geometry and bond length changes are studied for different values of the applied strain for all types of investigated deformations and defects. Various characteristic deformation and defect energies are shown as a function of the applied deformation. The nonlinear elastic properties of the radially deformed and defective (8,0) nanotube are also investigated in terms of the strain energy and applied force.