Buckling of ZnS-filled single-walled carbon nanotubes – The influence of aspect ratio

The mechanical response of single-walled carbon nanotubes (SWCNT) filled with crystalline zinc sulphide (ZnS) nanowires under uniaxial compression is studied using classical molecular dynamics. These simulations were used to analyse the behaviour of SWCNT, with and without ZnS filling, in terms of critical force and critical strain. Force versus strain curves have been computed for hollow and filled systems, the latter clearly showing an improvement of the mechanical behaviour caused by the ZnS nanowire. The same simulations were repeated for a large range of dimensions in order to evaluate the influence of the aspect ratio on the mechanical response of the tubes.