Size- and edge-effect cohesive energy and shear strength between graphene, carbon nanotubes and nanofibers: Continuum modeling and molecular dynamics simulations

Yinfeng Chen, Dongqing Ding, Chunhua Zhu, Junhua Zhao, Timon Rabczuk

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

Explicit expressions for the size- and edge-effect cohesive energy and shear stress between two finite-sized graphene (graphene/graphene), two finite-sized carbon nanotubes (CNTs) (CNT/CNT) and two finite-sized nanofibers (nanofiber/nanofiber) are obtained through continuum modeling of van der Waals (vdW) interactions between them. The close-form solutions of the cohesive energy and shear stress between these structures at different positions are derived by using Gaussian quadrature. The analytical results of the edge-effect cohesive energy show that both of the maximum repulsive and attractive shear stresses are always close to the initial intersecting positions between them. Checking against present molecular dynamics (MD) calculations and available experimental results shows that the continuum solutions are reasonable, in which the main reason of their difference is also revealed in detail. The obtained analytical solutions should be of great help for understanding the size- and edge-effect interactions between these nanostructures and designing nanoelectronic devices.

Original languageEnglish
Pages (from-to)150-167
Number of pages18
JournalComposite Structures
Volume208
DOIs
Publication statusPublished - 2019 Jan 15
Externally publishedYes

Keywords

  • Carbon nanotube
  • Cohesive energy
  • Edge effect
  • Graphene
  • Nanofiber
  • Shear stress
  • Size effect

ASJC Scopus subject areas

  • Ceramics and Composites
  • Civil and Structural Engineering

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