ABSTRACT A finite element (FE) approach was used to predict the barrier performance of nanocomposites with respect to fluids permeation. This could be, for example, a polymer with nanoreinforcements like graphene, and used as a coating or a liner. The model was verified with analytical and experimental measurements, and the influence on barrier performance of different flake characteristics – aspect ratio, loading, thickness, angular orientation, as well as distance between adjacent flakes – were studied. It was found that good correlation can be obtained using certain analytical models within their limited range of parameters, but the present work extends the applicability to nanoreinforcements like graphene with greater aspect ratios. In addition, the effect of flake angle was also investigated and found to be both beneficial and disadvantageous for barrier performance, depending on the flake aspect ratio.

中文翻译：

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薄片增强纳米复合材料扩散阻隔性能的数值预测

摘要 使用有限元 (FE) 方法来预测纳米复合材料在流体渗透方面的阻隔性能。例如，这可以是具有纳米增强材料（如石墨烯）的聚合物，并用作涂层或衬垫。该模型通过分析和实验测量进行了验证，并研究了不同薄片特性（纵横比、载荷、厚度、角度方向以及相邻薄片之间的距离）对阻隔性能的影响。发现使用某些分析模型在其有限的参数范围内可以获得良好的相关性，但目前的工作将适用性扩展到具有更大纵横比的石墨烯等纳米增强材料。此外，