Multiple edge cracks Interact in twisted trilayer graphene strips under tension

YH Liu and YM Li and B Zhang, ENGINEERING FRACTURE MECHANICS, 326, 111411 (2025).

DOI: 10.1016/j.engfracmech.2025.111411

The fracture characteristics and interactions of multiple cracks in twisted trilayer graphene under mode-I loading are investigated using molecular dynamics simulations. The fracture toughness of twisted trilayer graphene may exceed that of untwisted trilayer, primarily due to the different toughening effects of van der Waals interactions between the layers. While weak interlayer interactions do not alter the in-plane fracture mode, they do influence the cracking path. The generalized maximum energy release rate has limitations in accurately predicting crack direction at the atomic scale. By artificially enhancing the interlayer shear stiffness (Gint), we confirm that the toughening effect of interlayer interactions, crack behavior, and interlayer displacement are strongly dependent on both the twisted angle and Gint. Furthermore, the transition in coupling interactions from attraction to repulsion for cross-layer cracks is influenced by Gintdue to atomic reconstruction. Variations in interlayer slip and the stress field are attributed to interlayer shear forces, which contribute to the fracture behavior of trilayer graphene. This study provides insights into the role of interlayer interactions in the fracture of multilayer two-dimensional materials and guidance for the tolerance of twisted nanodevices and functional materials.

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