A molecular dynamics investigation of the mechanical properties of graphene nanochains

Abstract

In this paper, we investigate, by molecular dynamics simulations, the mechanical properties of a new carbon nanostructure, termed a graphene nanochain, constructed by sewing up pristine or twisted graphene nanoribbons (GNRs) and interlocking the obtained nanorings. The obtained tensile strength of defect-free nanochain is a little lower than that of pristine GNRs and the fracture point is earlier than that of the GNRs. The effects of length, width and twist angle of the constituent GNRs on the mechanical performance are analyzed. Furthermore, defect effect is investigated and in some high defect coverage cases, an interesting mechanical strengthening-like behavior is observed. This structure supports the concept of long-cable manufacturing and advanced material design can be achieved by integration of nanochain with other nanocomposites. The technology used to construct the nanochain is experimentally feasible, inspired by the recent demonstrations of atomically precise fabrications of GNRs with complex structures [Phys. Rev. Lett., 2009, 102, 205501; Nano Lett., 2010, 10, 4328; Nature, 2010, 466, 470].