Interfacial mechanical properties of periodic wrinkled graphene/polyethylene nanocomposite

F Liu and Y Zhu and RY Wu and LD Zhang and R Zou and SB Zhou and HM Ning and N Hu and C Yan, PHYSICA SCRIPTA, 98, 085955 (2023).

DOI: 10.1088/1402-4896/ace93c

Molecular dynamics simulations have been performed to investigate the interfacial mechanical properties of periodic wrinkled graphene (GR) with polyethylene (PE) matrix. The influences of amplitude (H), wavelength (lambda), and vacancy defect for the periodic wrinkled GR on the interfacial mechanical properties were considered and the potential mechanisms were analyzed. The results indicate that the interfacial mechanical properties ofGRwith periodic wrinkles are superior to that of flatGR, especiallywhen the H/l = 0.51 the interfacial strength enhances similar to 29.3%. Through the radial distribution function (RDF) analysis we found that the stronger interfacial mechanical properties are, the more PE molecular chains are attached to theGRwhen theGRis separated from the PE matrix. In addition, we found that vacancy defect in periodic wrinkledGRdoes not always degrade the interfacial mechanical properties, and when the vacancy defect content is 20%, the interfacial mechanical properties can be improved, as the vacancy defect reduces the interfacial distance and increases the roughness of the interface.

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