Investigation of mechanical behavior of single- and multi-layer graphene by using molecular dynamics simulation

Hyun Joon Kim, Kuk Jin Seo, Dae Eun Kim

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Graphene has been researched intensively due to its outstanding mechanical and electrical properties. However, understanding of its behavior in atomic scale is still lacking because of difficulties in experimental methods at this small scale. In this study, molecular dynamics simulation was conducted to evaluate the mechanical behavior and properties of graphene by indenting a spherical rigid tip onto circular graphene flakes. Circular graphene flakes with a diameter of 17 nm were modeled and its elastic modulus was examined with respect to the number of graphene layers. As a result, it was found that the elastic modulus of graphene ranged from 0.92 to 1.08 TPa. In addition, fracture of graphene appeared at a lower indentation depth for the multi-layer graphene compared to that of a single-layer graphene.

Original languageEnglish
Pages (from-to)1693-1701
Number of pages9
JournalInternational Journal of Precision Engineering and Manufacturing
Volume17
Issue number12
DOIs
Publication statusPublished - 2016 Dec 1

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Graphene
Molecular dynamics
Computer simulation
Elastic moduli
Indentation
Electric properties
Mechanical properties

All Science Journal Classification (ASJC) codes

  • Mechanical Engineering
  • Industrial and Manufacturing Engineering
  • Electrical and Electronic Engineering

Cite this

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Investigation of mechanical behavior of single- and multi-layer graphene by using molecular dynamics simulation. / Kim, Hyun Joon; Seo, Kuk Jin; Kim, Dae Eun.

In: International Journal of Precision Engineering and Manufacturing, Vol. 17, No. 12, 01.12.2016, p. 1693-1701.

Research output: Contribution to journalArticle

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