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Fracture Analysis of Graphene Using Peridynamic Theory

Torkaman Asadi, Mohammad Ali | 2023

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  1. Type of Document: Ph.D. Dissertation
  2. Language: Farsi
  3. Document No: 56689 (45)
  4. University: Sharif University of Technology
  5. Department: Aerospace Engineering
  6. Advisor(s): Kouchakzadeh, Mohammad Ali
  7. Abstract:
  8. The aim of this research is to analyze the failure and investigate crack growth in graphene using peridynamic theory. The presence of spatial partial derivatives in the equations of classical continuum mechanics has led to the fact that methods based on this theory are not valid in displacement discontinuities such as cracks. Peridynamic theory emerges as a nonlocal reformulation of mechanics, uniquely well-suited for modeling discontinuities and dynamic fractures in both continuous and discrete media. Its adaptability extends to various dimensions, encompassing phenomena at the nanoscale. In the present study, based on the ordinary state-based peridynamic theory, we investigated the fracture of single layer graphene sheets under uniaxial tension. By simulating the exact atomic model of graphene, the failure strain and crack growth pattern in the zigzag and armchair directions in peridynamics were compared with molecular dynamics. We showed that by considering some restrictions, these two methods have a good consistency with each other. Afterward, we investigated two different coarse-grained peridynamic models and demonstrated that coarse-grain pattern can simulate the failure of graphene with acceptable accuracy. A significant reduction in simulation cost is an excellent point of the peridynamic compared to the molecular dynamic simulation model. Under these conditions, a large atomic model with several million atoms can be easily simulated. Therefore, the peridynamic theory will be a suitable model for simulating the fracture processes of nanomaterials in large dimensions
  9. Keywords:
  10. Graphene ; Molecular Dynamics ; Fracture Mechanics ; Peridynamics ; Continuum Mechanics

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