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The effect of defects on the interfacial mechanical properties of graphene/epoxy composites

机译：缺陷对石墨烯/环氧树脂复合材料界面力学性能的影响

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摘要

In this study, the effect of defects on the interfacial mechanical properties of graphene/epoxy composites has been investigated by using molecular dynamics simulations. Three common types of defects with different concentrations, i.e., single-vacancy, double-vacancy, and Stone–Wales, were considered. Two typical separations, i.e., normal separation and shear separation, were conducted to evaluate the graphene/epoxy interfacial cohesive strength and interfacial shear strength, respectively. The pull-out energy and corresponding forces during the whole process were determined. It was found that the vacancy defects, including single-vacancy and double-vacancy, would degrade the interfacial mechanical properties. In contrast, the Stone–Wales defect could enhance the interfacial strength, especially the interfacial shear strength. Besides, the effect of graphene agglomeration on the graphene/epoxy interfacial shear stress was also investigated. The results showed that the interaction between graphene sheets was much stronger than that between graphene and polymer. Additionally, the graphene agglomerated structure was found to weaken the graphene sheet and epoxy interfacial load transfer, which agreed with the observations in previous experimental results in the literature.
机译：在这项研究中，已通过使用分子动力学模拟研究了缺陷对石墨烯/环氧树脂复合材料界面机械性能的影响。考虑了三种不同浓度的常见缺陷类型，即单空位，双空位和斯通威尔斯缺陷。进行了两种典型的分离，即正常分离和剪切分离，分别评估了石墨烯/环氧树脂界面的内聚强度和界面剪切强度。确定了整个过程中的拉出能量和相应的力。已经发现，包括单空位和双空位的空位缺陷会降低界面机械性能。相反，Stone-Wales缺陷可以增强界面强度，尤其是界面剪切强度。此外，还研究了石墨烯团聚对石墨烯/环氧界面剪切应力的影响。结果表明，石墨烯片之间的相互作用比石墨烯与聚合物之间的相互作用强得多。另外，发现石墨烯的团聚结构减弱了石墨烯片和环氧树脂的界面负荷转移，这与文献中先前实验结果中的观察结果一致。

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