Load transfer of graphene/carbon nanotube/polyethylene hybrid nanocomposite by molecular dynamics simulation

Yancheng Zhang, Xiaoying Zhuang, Jacob Muthu, Tarek Mabrouki, Michaël Fontaine, Yadong Gong, Timon Rabczuk

Research output: Contribution to journalArticle

65 Citations (Scopus)

Abstract

Load transfer of the graphene/carbon nanotube (CNT)/polyethylene hybrid nanocomposite is studied here from molecular dynamics (MD) simulations. Simulations of this composite material under uniaxial tension were conducted by varying CNT's position and diameter in the polymer matrix. The obtained results show that: (1) The peak strength of stress and strain evolution in the polymer matrix is lower than the peak strength of the graphene/graphene and graphene/polymer interfaces. Hence, the damage zone is always located in the polymer matrix. (2) Agglomerated two-layer graphenes do not possess an increased value in the peak strength compared with single-layer graphene-reinforced polymer nanocomposite (PNC), while two separate layers of graphene show slightly higher peak strength. (3) The largest peak strength is observed before CNT moves to the center of the polymer matrix. The damage location moves from the upper to the lower part of CNT when the CNT is located at the centre of polymer matrix. (4) The influence of the CNT diameter on the peak strength is not obvious, while the damage location and shape in the polymer matrix changes with respect to varying CNT diameters. In addition, the damage zone always falls outside the interphase zone.

Original languageEnglish
Pages (from-to)27-33
Number of pages7
JournalComposites Part B: Engineering
Volume63
DOIs
Publication statusPublished - 2014 Jan 1

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Carbon Nanotubes
Graphite
Polyethylene
Polymer matrix
Graphene
Molecular dynamics
Polyethylenes
Carbon nanotubes
Nanocomposites
Computer simulation
Polymers
Composite materials

Keywords

  • A. Hybrid
  • A. Polymer-matrix composites (PMCs)
  • B. Debonding
  • B. Interface/interphase
  • Molecular dynamics simulation

ASJC Scopus subject areas

  • Ceramics and Composites
  • Mechanics of Materials
  • Industrial and Manufacturing Engineering
  • Mechanical Engineering

Cite this

Load transfer of graphene/carbon nanotube/polyethylene hybrid nanocomposite by molecular dynamics simulation. / Zhang, Yancheng; Zhuang, Xiaoying; Muthu, Jacob; Mabrouki, Tarek; Fontaine, Michaël; Gong, Yadong; Rabczuk, Timon.

In: Composites Part B: Engineering, Vol. 63, 01.01.2014, p. 27-33.

Research output: Contribution to journalArticle

Zhang, Yancheng ; Zhuang, Xiaoying ; Muthu, Jacob ; Mabrouki, Tarek ; Fontaine, Michaël ; Gong, Yadong ; Rabczuk, Timon. / Load transfer of graphene/carbon nanotube/polyethylene hybrid nanocomposite by molecular dynamics simulation. In: Composites Part B: Engineering. 2014 ; Vol. 63. pp. 27-33.
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