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Elastic in-plane properties of 2D linearized models of graphene

Berinskii, Igor and Borodich, Feodor M. ORCID: 2013. Elastic in-plane properties of 2D linearized models of graphene. Mechanics of Materials 62 , pp. 60-68. 10.1016/j.mechmat.2013.03.004

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Graphene is a monolayer of carbon atoms packed into a two-dimensional honeycomb lattice. This allotrope can be considered as mother of all graphitic forms of carbon. The elastic in-plane properties of graphene are studied and various existing linearized models of its elastic deformations are critically re-examined. Problems related to modelling of graphene by nonlinear multi-body potentials of interaction are also discussed. It is shown that experimental results for small deformations can be well described by both the two-parametric molecular mechanics model developed by Gillis in 1984, while some popular models have serious flaws and often the results obtained using these models do not have physical meaning. It is argued that in order to study elastic constants of linearized models of graphene layers, it is very convenient to use the four parameter molecular mechanics model. The advantages of this approach is demonstrated by its application to the Tersoff and Brenner nonlinear interaction potentials, and by its comparison with the Gillis two-parametric model.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Engineering
Subjects: T Technology > TA Engineering (General). Civil engineering (General)
Uncontrolled Keywords: Graphene; Carbon nanomaterials; Nanomechanics; Molecular mechanics; Elastic properties
Publisher: Elsevier
ISSN: 0167-6636
Last Modified: 24 Oct 2022 11:20

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