Irida 石墨烯双层复合材料的力学和裂纹分析:分子动力学研究

IF 3 Q2 MATERIALS SCIENCE, COMPOSITES
Jianyu Li, Mingjun Han, Shuai Zhao, Teng Li, Taotao Yu, Yinghe Zhang, Ho-Kin Tang, Qing Peng
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引用次数: 0

摘要

在本文中,我们进行了分子动力学模拟,以研究双层和单层伊丽达石墨烯(IG)结构的力学性能以及裂缝对它们的影响。石墨烯是一种新型二维材料,由 3-6-8 个碳原子的融合环组成,具有优异的导电性和导热性,同时结构稳定。我们发现,石墨烯片上的鸢尾石墨烯结构的断裂应力超过了仅由鸢尾石墨烯组成的结构。此外,双层石墨烯的断裂应力也大大超过了双层鸢尾石墨烯。我们对 IG 和石墨烯进行了裂纹分析,观察到与拉伸方向垂直的裂纹会导致断裂应力随着裂纹长度的增加而降低。此外,我们还发现,与拉伸方向的夹角越大,断裂应力越小。在所有结构中,75° 的应力和应变最小。这些结果为利用双层和单层 IG 开发先进的纳米级电子器件提供了宝贵的启示。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Mechanics and Crack Analysis of Irida Graphene Bilayer Composite: A Molecular Dynamics Study
In this paper, we conducted molecular dynamics simulations to investigate the mechanical properties of double-layer and monolayer irida graphene (IG) structures and the influence of cracks on them. IG, a new two-dimensional material comprising fused rings of 3-6-8 carbon atoms, exhibits exceptional electrical and thermal conductivity, alongside robust structural stability. We found the fracture stress of the irida graphene structure on graphene sheet exceeds that of the structure comprising solely irida graphene. Additionally, the fracture stress of bilayer graphene significantly surpasses that of bilayer irida graphene. We performed crack analysis in both IG and graphene and observed that perpendicular cracks aligned with the tensile direction result in decreased fracture stress as the crack length increases. Moreover, we found that larger angles in relation to the tensile direction lead to reduced fracture stress. Across all structures, 75° demonstrated the lowest stress and strain. These results offer valuable implications for utilizing bilayer and monolayer IG in the development of advanced nanoscale electronic devices.
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来源期刊
Journal of Composites Science
Journal of Composites Science MATERIALS SCIENCE, COMPOSITES-
CiteScore
5.00
自引率
9.10%
发文量
328
审稿时长
11 weeks
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