A new approach in generating stable crack propagation at twisted bilayer graphene/hBN heterostructures

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.