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A modified molecular structure mechanics method for analysis of graphene

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Abstract

Based on molecular mechanics and the deformation characteristics of the atomic lattice structure of graphene, a modified molecular structure mechanics method was developed to improve the original one, that is, the semi-rigid connections were used to model the bond angle variations between the C-C bonds in graphene. The simulated results show that the equivalent space frame model with semi-rigid connections for graphene proposed in this article is a simple, efficient, and accurate model to evaluate the equivalent elastic properties of graphene. Though the present computational model of the semi-rigid connected space frame is only applied to characterize the mechanical behaviors of the space lattices of graphene, it has more potential applications in the static and dynamic analyses of graphene and other nanomaterials.

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Authors and Affiliations

  1. Department of Mechanics, School of Science, **’an University of Architecture and Technology, **’an, 710055, China

    Jun Hua  (华军), Dongbo Li, Dong Zhao, Shengwei Liang, Qinlong Liu & Ruiyan Jia

Authors
  1. Jun Hua  (华军)
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  2. Dongbo Li
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  3. Dong Zhao
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  4. Shengwei Liang
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  5. Qinlong Liu
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  6. Ruiyan Jia
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Corresponding author

Correspondence to Jun Hua  (华军).

Additional information

Funded by the Talent Foundation and Youth Foundation of **’an University of Architecture and Technology(Nos. DB12062 and QN1239)

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Hua, J., Li, D., Zhao, D. et al. A modified molecular structure mechanics method for analysis of graphene. J. Wuhan Univ. Technol.-Mat. Sci. Edit. 30, 1172–1178 (2015). https://doi.org/10.1007/s11595-015-1291-6

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  • DOI: https://doi.org/10.1007/s11595-015-1291-6

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