The first phase of this study aimed to validate multi-scale approaches based on Representative Volume Elements (RVEs) for graphene–polyethylene nanocomposites. stress–strain curves of experimental results were compared with numerical homogenization results. The stress amplification obtained from these simulations was used to predict GNP aspect ratios, demonstrating good agreement with permeability results. After validation of the multiscale approach, this study investigates the adhesion between nanoparticles and matrix in anisotropic GNP-HDPE metamaterial nanocomposites, emphasizing the role of the carboxyl (COOH) functional group in improving adhesion. The RVE model is used to investigate the debonding initiation and progression in these anisotropic nanocomposites under tensile and shear loading. Results indicate a variance in debonding onset and growth depending on orientation relative to the GNP axis. In tensile loading, debonding initiates at higher strains along the GNP axis than perpendicularly. Under shear loading within an anisotropic distribution, debonding behaviour varies significantly between planes perpendicular and parallel to the GNP axis. GNP surfaces with fully debonded surfaces slightly exceed 0.6% perpendicular to the GNP axis but increase to over 10.5% parallel to it.

本研究的第一阶段旨在验证基于石墨烯-聚乙烯纳米复合材料的代表性体积元素（RVE）的多尺度方法。将实验结果的应力-应变曲线与数值均匀化结果进行比较。从这些模拟中获得的应力放大用于预测 GNP 纵横比，证明与渗透率结果具有良好的一致性。经过多尺度方法验证后，本研究研究了各向异性 GNP-HDPE 超材料纳米复合材料中纳米颗粒与基质之间的粘附力，强调了羧基 (COOH) 官能团在提高粘附力方面的作用。 RVE 模型用于研究这些各向异性纳米复合材料在拉伸和剪切载荷下的脱粘起始和进展。结果表明，脱粘开始和增长的差异取决于相对于 GNP 轴的方向。在拉伸载荷下，沿 GNP 轴的应变高于垂直方向的应变时，就会开始脱粘。在各向异性分布内的剪切载荷下，垂直于和平行于 GNP 轴的平面之间的脱粘行为显着变化。完全脱粘表面的 GNP 表面垂直于 GNP 轴略超过 0.6%，但平行于 GNP 轴增加至超过 10.5%。