基于分子动力学模拟的石墨烯刻纸膜剪切行为与断裂特性研究

Study on the Shear Behaviour and Fracture Characteristic of Graphene Kirigami Membranes via Molecular Dynamics Simulation.

作者信息

Gao Yuan, Lu Shuaijie, Chen Weiqiang, Zhang Ziyu, Gong Chen

机构信息

School of Transportation and Civil Engineering, Nantong University, Nantong 226019, China.

Department of Mechanical, Aerospace and Civil Engineering, School of Engineering, The University of Manchester, Manchester M13 9PL, UK.

出版信息

Membranes (Basel). 2022 Sep 14;12(9):886. doi: 10.3390/membranes12090886.

DOI:10.3390/membranes12090886

PMID:36135905

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9501511/

Abstract

In this study, we aimed to provide systematic and critical research to investigate the shear performance and reveal the corresponding structural response and fracture characteristics of the monolayer GK membrane. The results demonstrate that the kirigami structure significant alters the shear performance of graphene-based sheets. Tuning the porosity by controlling the incision size, pore distribution, and incision direction can effectively adjust the shear strength and elastic modulus of GK membranes. The trade-off of the stress and strain of the GK membrane is critical to its shear behaviour. The microstructural damage processes and failure characteristics further reveal that making more carbon atoms on the GK structure sharing the strain energy is the key to reinforcing the shear performance of membranes. Based on this, we found that adding the shear loading in the direction of perpendicular to the incisions on the GK membrane can significantly improve the shear strength and stiffness of the membrane by 26.2-32.1% and 50.2-75.3% compared to applying shear force parallel to GK incisions. This research not only broadens the understanding of shear properties of monolayer GO membrane but also provides more reference on the fracture characteristics of GK membranes for future manufacturing and applications.

摘要

在本研究中，我们旨在提供系统且具有批判性的研究，以探究单层GK膜的剪切性能，并揭示其相应的结构响应和断裂特性。结果表明，折纸结构显著改变了石墨烯基片材的剪切性能。通过控制切口尺寸、孔隙分布和切口方向来调整孔隙率，可以有效地调节GK膜的剪切强度和弹性模量。GK膜应力与应变之间的权衡对其剪切行为至关重要。微观结构损伤过程和失效特性进一步表明，使GK结构上更多的碳原子分担应变能是增强膜剪切性能的关键。基于此，我们发现，与平行于GK切口施加剪切力相比，在垂直于GK膜切口的方向上施加剪切载荷可使膜的剪切强度和刚度分别显著提高26.2% - 32.1%和50.2% - 75.3%。本研究不仅拓宽了对单层氧化石墨烯膜剪切性能的理解，还为GK膜在未来制造和应用中的断裂特性提供了更多参考。