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

분자역학을 사용한 단층 그래핀 시트의 모드 III 파괴인성

  • 웬민키 (울산대학교 기계공학부) ;
  • 염영진 (울산대학교 기계공학부)
  • Received : 2013.07.25
  • Accepted : 2013.12.02
  • Published : 2014.02.01


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.


Fracture of Graphene;Mode III Fracture Toughness;Critical Stress Intensity Factor


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