The bending of single layer graphene sheets: the lattice versus continuum approach

摘要

The out-of-plane bending behaviour of single layer graphene sheets (SLGSs) is investigated using a special equivalent atomistic-continuum model, where the C-C bonds are represented by deep shear bending and axial stretching beams and the graphene properties by a homogenization approach. SLGS models represented by circular and rectangular plates are subjected to linear and nonlinear geometric point loading, similar to what is induced by an atomic force microscope (AFM) tip. The graphene models are developed using both a lattice and a continuum finite element discretization of the partial differential equations describing the mechanics of the graphene. The minimization of the potential energy allows us to identify the thickness, elastic parameters and force/displacement histories of the plates, in good agreement with other molecular dynamic (MD) and experimental results. We note a substantial equivalence of the linear elastic mechanical properties exhibited by circular and rectangular sheets, while some differences in the nonlinear geometric elastic regime for the two geometrical configurations are observed. Enhanced flexibility of SLGSs is observed by comparing the nondimensional force versus displacement relations derived in this work and the analogous ones related to equivalent plates with conventional isotropic materials.