Journal article

Fracture toughness of various percentage of doping of boron atoms on the mechanical properties of polycrystalline graphene: A molecular dynamics study

Mohammadreza Izadifar, Peter Thissen, Rouzbeh Abadi, Amir Namazian Jam, Soheil Gohari, Colin Burvill, Timon Rabczuk

Physica E: Low-dimensional Systems and Nanostructures | Elsevier | Published : 2019


This article investigates the effect of different initial crack sizes on the mechanical response of single-layer boron doped polycrystalline graphene nanosheets by Molecular Dynamics (MD) simulations. We study 1%, 3%, 6% and 10% of boron doped polycrystalline graphene nanosheets with grain sizes of 10 and 15 nm for eight different initial crack lengths of 0.02L, 0.04L, 0.08L, 0.12L, 0.16L, 0.2L, 0.24L, and 0.32L, where L is the initial length of the nanosheet. We found that 1. brittle fracture for boron doped polycrystalline graphene as the failure occurs without any sign of plastic deformation and low energy absorption and 2. the ultimate tensile strength is independent of the initial crack..

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