Mechanical properties of double-layered graphene sheets

Hosseini Kordkheili, S. A ; Sharif University of Technology | 2013

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  1. Type of Document: Article
  2. DOI: 10.1016/j.commatsci.2012.11.027
  3. Publisher: 2013
  4. Abstract:
  5. In this paper, the molecular structural mechanics method is employed to calculate the mechanical properties of a double-layered carbon graphene sheet more accurately. For this purpose, covalent bonds are modeled using nonlinear beam elements and van der Waals interactions are replaced by nonlinear truss elements. Morse potential and Lennard-Jones potential equations are used to simulate the covalent bonds and van der Waals interactions, respectively. For each atom, van der Waals forces are considered with respect to all the other atoms located in its cut-off radius. In addition to in-plane mechanical properties of single and double-layered graphene sheets some out-of-plane properties like the thickness-wise stiffness and shear modulus are studied. The results indicate that Young's modulus of a double-layered carbon graphene sheet decreases linearly with strain while Poisson's ratio is independent from it. Also it is noted that the thickness-wise stiffness significantly increases while the distance between the two layers declines however the shear modulus is independent from shear strain
  6. Keywords:
  7. Graphene sheet ; Molecular mechanic ; Graphene sheets ; In-plane mechanical properties ; Molecular structural mechanics ; Non-linear beams ; Non-linear truss ; Out-of-plane ; Poisson's ratio ; Van Der Waals interactions ; Young's Modulus ; Degrees of freedom (mechanics) ; Elastic moduli ; Finite element method ; Molecular mechanics ; Nanostructures ; Shear strain ; Stiffness ; Van der Waals forces ; Graphene
  8. Source: Computational Materials Science ; Volume 69 , 2013 , Pages 335-343 ; 09270256 (ISSN)
  9. URL: http://www.sciencedirect.com/science/article/pii/S0927025612006866