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Role of nanotube chirality on the mechanical characteristics of pillared graphene
Mechanics of Materials ( IF 3.9 ) Pub Date : 2021-08-25 , DOI: 10.1016/j.mechmat.2021.104035
Yanwen Lin 1 , Ke Xu 1 , Xuezheng Cao 1 , Zhisen Zhang 1 , Jianyang Wu 1
Affiliation  

Pillared graphene composed of carbon nanotubes (CNTs) and graphene sheets shows a host of robust properties with diverse applications. Herein, mechanical characteristics of pillared graphene composed of six different chiral CNTs are explored using molecular dynamic (MD) simulations. Pillared graphene shows distinct tensile and compression mechanical characteristics that are greatly dictated by the chirality of CNT pillars. Subjected to planar and CNT-axial directional loads, (6,6) and (8,4) chiral CNTs-dominated pillared graphene are the most mechanically robust structures in terms of tensile strength. Upon compression, four distinct loading stages, including elastic compression, progressive compression, collapse of CNTs and densification, can be identified from their loading curves and re-alignment analysis of CNTs. Besides wrinkling of graphene, compression-induced structural transformations are quantitatively explained by inclination of CNTs in pillared graphene. As a result of de-wrinkling/wrinkling behaviors of graphene sheets, specific pillared graphene structures yield negative Poisson's ratio. Analysis of compression energy-absorption indicators such as crush force efficiency, stroke efficiency and specific energy-absorption reveal that they are good energy-absorbers, with the highest performance of energy-absorption for (7,5) CNT-dominated pillared graphene. The study provides critical understanding of role of CNT chirality on the mechanical properties of pillared graphene for optimal design of high-dimensional hybrid CNT-graphene structures with high mechanical performance.



中文翻译:

纳米管手性对柱撑石墨烯机械特性的影响

由碳纳米管 (CNT) 和石墨烯片组成的柱状石墨烯显示出具有多种应用的强大性能。在此,使用分子动力学 (MD) 模拟探索了由六种不同手性 CNT 组成的柱状石墨烯的机械特性。柱状石墨烯显示出明显的拉伸和压缩机械特性,这在很大程度上取决于 CNT 支柱的手性。在平面和 CNT 轴向载荷下,(6,6) 和 (8,4) 手性碳纳米管占主导地位的柱状石墨烯在抗拉强度方面是机械强度最高的结构。在压缩时,四个不同的加载阶段,包括弹性压缩、渐进压缩、碳纳米管塌陷和致密化,可以从加载曲线和碳纳米管的重新排列分析中识别出来。除了石墨烯的起皱,通过柱状石墨烯中碳纳米管的倾斜定量解释了压缩引起的结构转变。由于石墨烯片的去皱/起皱行为,特定的柱状石墨烯结构产生负泊松比。对压缩能量吸收指标(如压碎力效率、冲程效率和比能量吸收)的分析表明,它们是良好的能量吸收体,对(7,5)碳纳米管主导的柱状石墨烯具有最高的能量吸收性能。该研究提供了对 CNT 手性对柱撑石墨烯机械性能的作用的重要理解,以优化设计具有高机械性能的高维混合 CNT-石墨烯结构。

更新日期:2021-08-27
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