The mechanical properties of three types of carbon allotropes

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

Research output: Contribution to journalArticlepeer-review

85 Citations (Scopus)


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
Issue number9
Publication statusPublished - 2013 Mar 8

ASJC Scopus subject areas

  • Bioengineering
  • General Chemistry
  • General Materials Science
  • Mechanics of Materials
  • Mechanical Engineering
  • Electrical and Electronic Engineering


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