Molecular dynamics study of the shear strength and fracture behavior of nanoporous graphene membranes

We perform molecular dynamics (MD) simulations to study the structural response and fracture characteristics of nanoporous graphene (NPG) membranes subjected to shear loading. The effects of porosity, temperature, and shear velocity on the mechanical responses of NPG membranes are examined. The results show that the wrinkling of the membrane becomes more obvious with increasing strain. Fractures occur around holes on the long diagonal of the NPG parallelogram, and fracture stress in the NPG membrane decreases with increasing porosity. In addition, the effect of shear velocity on the shear modulus decreases with increasing porosity. The fracture strain of NPG membranes with different porosities obviously decreases with increasing temperature. The results enhance our understanding of the shear mechanical properties of NPG membranes and are helpful for the design and application of high-performance NPG membranes.