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http://dx.doi.org/10.3795/KSME-A.2014.38.2.121

Mode III Fracture Toughness of Single Layer Graphene Sheet Using Molecular Mechanics  

Nguyen, Minh-Ky (School of Mechanical Engineering, Univ. of Ulsan)
Yum, Young-Jin (School of Mechanical Engineering, Univ. of Ulsan)
Publication Information
Transactions of the Korean Society of Mechanical Engineers A / v.38, no.2, 2014 , pp. 121-127 More about this Journal
Abstract
An atomistic-based finite bond element model for predicting the tearing mode (mode III) fracture of a single-layer graphene sheet (SLGS) is developed. The model uses the modified Morse potential for predicting the maximum strain relationship of graphene sheets. The mode III fracture of graphene under out-of-plane shear loading is investigated with extensive molecular mechanics simulations. Molecular mechanics is used for describing the displacements of atoms in the area near a crack tip, and linear elastic fracture mechanics is used outside this area. This work shows that the molecular mechanics method can provide a reliable and yet simple method for determining not only the shear properties of SLGS but also its mode III fracture toughness in the armchair and the zigzag directions; the determined mode III fracture toughness values of SLGS are $0.86MPa{\sqrt{m}}$ and $0.93MPa{\sqrt{m}}$, respectively.
Keywords
Fracture of Graphene; Mode III Fracture Toughness; Critical Stress Intensity Factor;
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Times Cited By KSCI : 1  (Citation Analysis)
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