The Effect of Boundary Conditions on a Theoretical Analysis of Axial Buckling in a Chiral Single-Wall Carbon Nanotube

Using molecular dynamics simulation, we predict that under fixed-end boundary condition, for an unsymmetrical chiral single-wall carbon nanotubes (SWCNTs), helix-like stripes would appear on the nanotube shell, and torsional buckling could occur. At the same time, buckling critical strains would be greatly reduce (e.g., similar to 20% for a (8,3) SWCNT) compared with those under simply supported boundary conditions. The mechanism for this decrease is not understood