Molecular Dynamics Analysis for Fracture Behavior of Graphene Sheets With v-Shaped Notches Under Tension

Fang, Te-Hua; Chang, Win−Jin; Lin, Kai-Peng; Weng, Cheng‐I

doi:10.1142/s1793292014500878

Cited by 2 publications

(1 citation statement)

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“…While in pre-strained graphene sheets, crack propagation speed is independent of the length, location and number of inserted crack. For the graphene sheet with a hole in its center, Fang et al [51,52] found that the fracture strength, strain and Young's modulus decrease while the Poisson's ratio increases with the hole size increasing. For the graphene sheet with v-shape crack, they also found that the crack propagates from the crack tip along the direction perpendicular to the loading axis for armchair sheet and along the direction of 45° from the loading axis for zigzag sheet.…”

Section: Introductionmentioning

confidence: 99%

Investigation on fracture of pre-cracked single-layer graphene sheets

Liu

Bie

Wang

et al. 2019

Computational Materials Science

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Peridynamics (PD) is employed to model the fracture of pre-cracked graphene sheets under mode-I loading condition to show its application at nanoscale. Then the related mechanisms at atomic scale are revealed by using molecular dynamics (MD) simulation, with which the mechanical properties and fracture mechanisms of full atomistic pre-cracked single-layer graphene sheets (SLGSs) with different types of crack tip micro-structures are investigated. The results such as the fracture forms obtained from the PD and MD simulations show good consistency. The MD results show that different crack tip structures have distinct effect on the mechanical properties of graphene sheets. The pre-cracked SLGSs with ω-type crack tip show higher fracture strength and strain than the ones with u-type crack tip. For the pre-cracked SLGSs with u-type crack tip, the fracture strength and strain of the armchair sheet are higher than the zigzag one. However, there are almost no differences for the armchair and zigzag sheets with ω-type crack tip. Due to the difference between armchair and zigzag structures, carbon polygon ring can form in armchair sheets and its formation is related to the crack tip structures and the crack width. In addition, the crack propagation can be characterized by the local stress state, which for crack initiation is different from steady crack propagation.

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Section: Introductionmentioning

confidence: 99%