Mechanical Properties and Deformation Mechanisms of Graphene Foams with Bi-Modal Sheet Thickness by Coarse-Grained Molecular Dynamics Simulations.
Mechanical Properties and Deformation Mechanisms of Graphene Foams with Bi-Modal Sheet Thickness by Coarse-Grained Molecular Dynamics Simulations.
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DOI：
10.3390/ma14195622
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发表时间：
2021-09-27
期刊：
影响因子：
--
通讯作者：
Wang C
中科院分区：
文献类型：
--
作者：
Liu S;Lyu M;Wang C
石墨烯泡沫（GrF）已经在许多实际应用中被广泛用作结构和/或功能材料。它们总是由具有多种厚度的薄和厚石墨烯片组装而成;然而，现有的理论模型对这种基本结构特征的影响知之甚少。在这里，我们提出了一个由1层柔性和8层刚性片材组成的粗粒度双峰GrF模型，以研究基于石墨烯片材介观模型（Model.你好Mater. Sci. 2011，19，54003）。研究发现，随着8层板比例的增加，弹性模量几乎呈线性增加，这可以用混合规则很好地解释;强度先下降，在刚性板比例约为30%时达到最小值，这可以用结构连通性和变形能分析很好地解释。高应力区主要分布在厚岩片中，而大应变区主要分布在薄岩片中。由于两种结构和片材力学性能的内在不均匀性，它们在GRF中具有高度不均匀的分布。另外，增加玻璃纤维的厚度可以提高玻璃纤维的弹性恢复能力。这些结果将有助于我们理解和进一步指导先进的GRF基材料的设计。
Graphene foams (GrFs) have been widely used as structural and/or functional materials in many practical applications. They are always assembled by thin and thick graphene sheets with multiple thicknesses; however, the effect of this basic structural feature has been poorly understood by existing theoretical models. Here, we propose a coarse-grained bi-modal GrF model composed of a mixture of 1-layer flexible and 8-layer stiff sheets to study the mechanical properties and deformation mechanisms based on the mesoscopic model of graphene sheets (Model. Simul. Mater. Sci. Eng. 2011, 19, 54003). It is found that the modulus increases almost linearly with an increased proportion of 8-layer sheets, which is well explained by the mixture rule; the strength decreases first and reaches the minimum value at a critical proportion of stiff sheets ~30%, which is well explained by the analysis of structural connectivity and deformation energy of bi-modal GrFs. Furthermore, high-stress regions are mainly dispersed in thick sheets, while large-strain areas mainly locate in thin ones. Both of them have a highly uneven distribution in GrFs due to the intrinsic heterogeneity in both structures and the mechanical properties of sheets. Moreover, the elastic recovery ability of GrFs can be enhanced by adding more thick sheets. These results should be helpful for us to understand and further guide the design of advanced GrF-based materials.
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