Structural effects on mechanical response of MoS₂ nanostructures during compression

In recent years, inorganic nanostructures, such as fullerene-like MoS ₂ and WS₂ nanoparticles, have been shown to be promising candidates for friction and wear reduction in tribological applications. However, it has been demonstrated experimentally that the mechanical response of any given inorganic nanostructure varies depending on its individual structural characteristics such as size, shape, and crystallinity. Here, classical molecular dynamics simulations are performed that investigate the mechanical responses of different types of MoS₂ nanostructures during uniaxial compression. The results illustrate the dependence of mechanical behavior on nanoparticle structure and, in particular, indicate that the mechanical properties of MoS₂ nanostructures vary significantly with changes in the orientation of the MoS₂ walls at the interface.