Fan Lei, Zheng Jinhao, Cai Xinyu
School of Civil Engineering and Architecture, Zhejiang University of Science & Technology, Hangzhou, P.R. China.
Zhejiang- Singapore Joint Laboratory for Urban Renewal and Future City, Hangzhou 310023, China.
iScience. 2024 Nov 15;27(12):111387. doi: 10.1016/j.isci.2024.111387. eCollection 2024 Dec 20.
Thermodynamic theory suggests that the obvious mechanical behavior caused by temperature and interlayer angle will affect the physical properties of materials, such as mechanical properties and transportation behavior, and it is different from the behavior in three-dimensional bulk materials. We observe an abnormal physical effect of bilayer graphene/hexagonal boron nitride (G/BN)-carbon nanotube (CNT) heterostructures, with a normalized out-of-plane deformation and normalized bond angle percentage to almost several times higher those of pristine G/BN heterostructures (without CNT) at 700-800 K. Our combined finite element theory and molecular dynamics simulations confirmed that the combination of CNT and interlayer angle diverted and bridged the propagating crack and provided a stable crack propagation path and crack tip opening displacement, resulting in the stress fields to be controlled around the CNT at high temperature. It offers an ideal design for two-dimensional (2D) materials that can maintain exceptional mechanical properties in flexible device applications.
热力学理论表明，由温度和层间角引起的明显力学行为会影响材料的物理性质，如力学性能和输运行为，且这与三维块状材料中的行为不同。我们观察到双层石墨烯/六方氮化硼（G/BN）-碳纳米管（CNT）异质结构存在异常物理效应，在700 - 800 K时，其归一化面外变形和归一化键角百分比几乎比原始G/BN异质结构（无CNT）高出几倍。我们结合有限元理论和分子动力学模拟证实，CNT与层间角的结合使扩展裂纹转向并桥接，提供了稳定的裂纹扩展路径和裂纹尖端开口位移，从而在高温下控制了CNT周围的应力场。这为二维（2D）材料提供了一种理想设计，使其在柔性器件应用中能够保持优异的力学性能。
