Zhao Zihui, Wang Yafei, Wang Changguo
National Key Laboratory of Science and Technology on Advanced Composites in Special Environments, Harbin Institute of Technology, Harbin 150001, P. R. China.
Phys Chem Chem Phys. 2021 May 26;23(20):11917-11930. doi: 10.1039/d1cp01254a.
This study investigated dynamic surface wrinkle propagation across a series of flower-like rotational grain boundaries (GBs) in graphene using theoretical solutions and atomistic simulations. It was found that there was significantly less out-of-plane displacement of dynamic wrinkles when curvature of rotational GBs was reduced, which can be explained by a defect shielding effect of flower-like GBs. Potential energy evolved via different modes for pristine graphene and graphene with various GBs. With external excitation, the distinctly different patterns of wrinkle propagation in graphene with various GBs demonstrated how dynamic wrinkling can reveal defects. These results can provide a theoretical basis for guiding the design and implementation of graphene-based nano-mechanical devices such as protectors and detectors.
本研究使用理论解和原子模拟研究了石墨烯中一系列花状旋转晶界（GBs）上动态表面皱纹的传播。研究发现，当旋转晶界的曲率降低时，动态皱纹的面外位移显著减少，这可以用花状晶界的缺陷屏蔽效应来解释。原始石墨烯和具有各种晶界的石墨烯的势能通过不同模式演化。在外部激发下，具有各种晶界的石墨烯中皱纹传播的明显不同模式表明了动态起皱如何揭示缺陷。这些结果可为指导基于石墨烯的纳米机械设备（如保护器和探测器）的设计和实现提供理论依据。
