Mechanical properties of MoS₂ nanotubes under tension: a molecular dynamics study

We investigate the tensile properties of MoS2 nanotubes by the implementation of a set of molecular dynamics runs, using a recently developed version of the Stillinger–Weber (SW) potential. The nanotubes considered are of the H and T polytypes, with zigzag and armchair chirality. We found that only nanotubes of diameter greater or equal than 30 Å are stable when modelled by the SW potential. Zigzag nanotubes have a larger elastic modulus than...