Buckling instability of graphyne nanosheets under local indentation

Abstract

As a novel two-dimensional material, a well understanding of mechanical properties of graphyne under various loading conditions is essential for its blooming applications. However, the buckling mechanism of graphyne under local loads is still unclear, which hinders the development of its related nanodevices. In this work, the buckling behavior of graphyne under local indentation is studied by molecular dynamics simulation and theoretical analysis. It is found that the theoretical prediction of the critical indentation depth for buckling of graphyne agrees well with that from molecular dynamics simulation. The buckling morphology lies in the intermediate region between the contact region and the outer boundary. The critical indentation depth and the buckling morphology can be tuned by adopting various geometric and material parameters. The results should be helpful for not only guiding various applications of graphyne, but also improving the development of nanomechanics.