LAUSR

Abstract In this manuscript, a molecular dynamics simulation is used to study the fish-like structure formed through polyacetylene induced by multiple fullerence C70s. The results display that the multiple linearly arranged fullerence C70s becomes a cluster structure located on the head of the “fish” and the polyacetylene is bent into a “fish” shape. The whole formation process experiences three stages which are agglomeration, slippage and torsion. Both the van der Waals potential well and the π–π stacking interaction between the polyacetylene and fullerence C70s play a vital role in the formation of fish-like nanostructures. Furthermore, some factors such as the number of fullerence C70, the length of polymer influence the final configuration of composite. Moreover, the simulation temperature that is too high or too low is not conducive to form the fish-like nanostructures. The new geometrical structures between polyacetylene and fullerence C70s may provide valuable theoretical support for designing and fabricating hybrid structures in the fields of advanced composite materials and functional devices.