Finite Element Modelling and Mechanical Characterization of Graphyne
Joint Authors
Source
Issue
Vol. 2016, Issue 2016 (31 Dec. 2016), pp.1-15, 15 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2016-05-17
Country of Publication
Egypt
No. of Pages
15
Main Subjects
Abstract EN
Graphyne is an allotrope of carbon with excellent mechanical, electrical, and optical properties.
The scientific community has been increasingly interested in its characterization and computational simulation, using molecular dynamics (MD) simulations and density functional theory (DFT).
The present work presents, for the first time (to the authors’ knowledge), a finite element (FE) model to evaluate the elastic properties of graphyne.
After presenting a brief literature review on the latest developments of graphyne and its mechanical characterization through computational methods, the FE model of graphyne sheet is presented in detail and the calculation of its elastic properties described.
The linear elastic properties (Young’s modulus, Poisson’s ratio, bulk modulus, and shear modulus) obtained from the proposed FE models are in general agreement with those previously obtained by other authors using more complex computational models (MD and DFT).
The influence of van der Waals (vdW) interatomic forces on the linear elastic properties of planar graphyne is negligible and can be disregarded if small strain hypothesis is adopted.
The FE models also show that graphyne exhibits marginal orthotropic behavior, that is, “quasi-isotropic” behavior, a fact that agrees with the conclusions reported by other researchers.
American Psychological Association (APA)
Couto, Ricardo& Silvestre, N.. 2016. Finite Element Modelling and Mechanical Characterization of Graphyne. Journal of Nanomaterials،Vol. 2016, no. 2016, pp.1-15.
https://search.emarefa.net/detail/BIM-1109364
Modern Language Association (MLA)
Couto, Ricardo& Silvestre, N.. Finite Element Modelling and Mechanical Characterization of Graphyne. Journal of Nanomaterials No. 2016 (2016), pp.1-15.
https://search.emarefa.net/detail/BIM-1109364
American Medical Association (AMA)
Couto, Ricardo& Silvestre, N.. Finite Element Modelling and Mechanical Characterization of Graphyne. Journal of Nanomaterials. 2016. Vol. 2016, no. 2016, pp.1-15.
https://search.emarefa.net/detail/BIM-1109364
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1109364