Characterization of hBN and Graphene Heterostructures

The molecular dynamics(MD) simulation is performed to characterize the mechanical properties of van der Waals heterostructures composed of graphene and hexagonal boron nitride(hBN) single layer sheets. The graphene-hBN and hBN-graphene-hBN heterostructures simulations are carried out under tensile and shear deformation. Accordingly, stress versus strain curves of each system are plotted and various properties of heterostructures, namely elastic modulus and shear modulus as well as failure stress and failure strain, are evaluated and compared.