The mechanical properties of three types of carbon allotropes

Junhua Zhao, Ning Wei, Zhezhong Fan, Jin Wu Jiang, Timon Rabczuk

Research output: Contribution to journalArticle

56 Citations (Scopus)

Abstract

The mechanical properties of supergraphene, cyclicgraphene and graphyne are studied using molecular dynamics simulations based on the AIREBO potential. In particular, we present the chirality-dependence of their mechanical properties, including Young's moduli, shear moduli, Poisson's ratios, ultimate strength and ultimate strains. The relationship of their Young moduli, shear moduli and Poisson ratios is in the order of Ysu (super) < Ycy (cyclic) < Ygy (graphyne) < Yge (graphene), G su < Gcy < Ggy < Gge and vsu > vcy > vgy > vge in corresponding zigzag and armchair sheets, respectively. Their intersheet adhesion energy is obtained as γsu = 30, γcy = 99 and γgy = 149 mJ m-2, which are much lower than that of γge = 291 mJ m-2 (the value is in good agreement with the latest experimental result γge = 310 ± 30 mJ m-2). The obtained adhesion energy is accurately characterized by continuum modeling of the van der Waals interactions. Our study is very useful for the future applications of graphene-like materials in nanoelectromechanical systems.

Original languageEnglish
Article number095702
JournalNanotechnology
Volume24
Issue number9
DOIs
Publication statusPublished - 2013 Mar 8
Externally publishedYes

Fingerprint

Elastic Modulus
Carbon
Elastic moduli
Mechanical properties
Graphite
Poisson ratio
Molecular Dynamics Simulation
Adhesion
NEMS
Chirality
Graphene
Molecular dynamics
Computer simulation

ASJC Scopus subject areas

  • Bioengineering
  • Chemistry(all)
  • Electrical and Electronic Engineering
  • Mechanical Engineering
  • Mechanics of Materials
  • Materials Science(all)

Cite this

Zhao, J., Wei, N., Fan, Z., Jiang, J. W., & Rabczuk, T. (2013). The mechanical properties of three types of carbon allotropes. Nanotechnology, 24(9), [095702]. https://doi.org/10.1088/0957-4484/24/9/095702

The mechanical properties of three types of carbon allotropes. / Zhao, Junhua; Wei, Ning; Fan, Zhezhong; Jiang, Jin Wu; Rabczuk, Timon.

In: Nanotechnology, Vol. 24, No. 9, 095702, 08.03.2013.

Research output: Contribution to journalArticle

Zhao, J, Wei, N, Fan, Z, Jiang, JW & Rabczuk, T 2013, 'The mechanical properties of three types of carbon allotropes', Nanotechnology, vol. 24, no. 9, 095702. https://doi.org/10.1088/0957-4484/24/9/095702
Zhao, Junhua ; Wei, Ning ; Fan, Zhezhong ; Jiang, Jin Wu ; Rabczuk, Timon. / The mechanical properties of three types of carbon allotropes. In: Nanotechnology. 2013 ; Vol. 24, No. 9.
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