Prediction of graphene's mechanical and fracture properties via peridynamics

Liu, Xuefeng and Yu, Peng and Zheng, Baojing and Oterkus, Erkan and He, Xiaoqiao and Lu, Chun (2024) Prediction of graphene's mechanical and fracture properties via peridynamics. International Journal of Mechanical Sciences, 266. 108914. ISSN 0020-7403

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Abstract

Although graphene is believed to be the strongest material, many properties of this material are still worth exploring and discovering, especially the influence of inevitable defects in its preparation on the mechanical and fracture properties which are of high significance. Here a peridynamic (PD) model is 1 established to study the mechanical and fracture properties of polycrystalline graphene in which grains of large size exist. In this study, dependence of the Young s modulus and the fracture strength on the grain size which changes from a few to hundreds of nanometers is obtained, and the inverse pseudo Hall-Petch relation between the fracture strength and the grain size is found. The fracture forms of graphene are consistent with the experimental observations. Based on the Griffith theory, the obtained fracture toughness (i.e. 3.1 - 6.3 ) and (i.e. 10.9 - 45.7 ) is comparable with previously reported theoretical and experimental values, which proves the validity of the proposed PD model and confirms the applicability of the classical Griffith theory in brittle fracture analysis of graphene sheets. Besides, numerical results reveal that the fracture toughness can be greatly enhanced by the blunt pre-crack tip. This work provides insights into mechanical failure of graphene and guidance on fragmentation of graphene for its practical use, which makes a further step on the application of PD theory via presenting a new and feasible way for the study of large-sized graphene.

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