Abstract Multilayer two-dimensional (2D) material assemblies (MLMs) with a staggered architecture are widely applied to transfer exceptional properties of 2D materials into their 3D counterparts. However, the quantitative relation between interlayer shear and structural deformation, significant for the design of high-performance MLMs, has not been fully understood due to the inadequacy of existing theoretical model. Integrating the nonlinear shear-lag model and molecular dynamics (MD) simulations, we here investigate the intricate interplay between in-plane deformation and interlayer shear of multilayer assemblies of graphene, molybdenum disulfide (MoS2), and hexagonal boron nitride (h-BN). It demonstrates that the classical shear-lag model can well describe the in-plane deformation of multilayer MoS2 assembly, but fails for multilayer graphene and h-BN assemblies due to the edge effect induced by the interlayer van der Waals attraction. Then, a modified shear-lag model accounting for the edge effect is proposed to quantitatively reveal the respective contributions of the interlayer sliding, edge-effect shear stress and the elasticity of 2D material platelet on the deformation of MLMs. We find that, under the framework of shear-lag model, the inexplicit edge-effect shear stress can be described by two characteristic constants, extremely simplifying the expression of edge-effect shear stress in practical engineering applications.

中文翻译：

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多层二维材料组件中层间剪切的边缘效应

摘要 具有交错结构的多层二维 (2D) 材料组件 (MLM) 被广泛应用于将 2D 材料的特殊属性转换为其 3D 对应物。然而，由于现有理论模型的不足，层间剪切与结构变形之间的定量关系对于高性能MLM的设计具有重要意义，尚未得到充分理解。整合非线性剪切滞后模型和分子动力学 (MD) 模拟，我们在这里研究了石墨烯、二硫化钼 (MoS2) 和六方氮化硼 (h-BN) 多层组件的面内变形和层间剪切之间复杂的相互作用. 这表明经典的剪切滞后模型可以很好地描述多层 MoS2 组件的面内变形，但由于层间范德华引力引起的边缘效应，多层石墨烯和 h-BN 组件失败。然后，提出了一种考虑边缘效应的修正剪切滞后模型，以定量揭示层间滑动、边缘效应剪切应力和二维材料小板的弹性对 MLM 变形的各自贡献。我们发现，在剪滞模型的框架下，不明确的边缘效应剪应力可以用两个特征常数来描述，极大地简化了实际工程应用中边缘效应剪应力的表达。提出了一种考虑边缘效应的修正剪切滞后模型，以定量揭示层间滑动、边缘效应剪切应力和二维材料薄片弹性对 MLM 变形的各自贡献。我们发现，在剪滞模型的框架下，不明确的边缘效应剪应力可以用两个特征常数来描述，极大地简化了实际工程应用中边缘效应剪应力的表达。提出了一种考虑边缘效应的修正剪切滞后模型，以定量揭示层间滑动、边缘效应剪切应力和二维材料小板弹性对 MLM 变形的各自贡献。我们发现，在剪滞模型的框架下，不明确的边缘效应剪应力可以用两个特征常数来描述，极大地简化了实际工程应用中边缘效应剪应力的表达。