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

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

Autoren

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

Externe Organisationen

  • Bauhaus-Universität Weimar
  • Tongji University
  • University of the Witwatersrand
  • Universität Tunis El Manar
  • Universite de Franche-Comte
  • Northeastern University China
  • Université Claude Bernard Lyon 1
  • Korea University
Forschungs-netzwerk anzeigen

Details

OriginalspracheEnglisch
Seiten (von - bis)27-33
Seitenumfang7
FachzeitschriftComposites Part B: Engineering
Jahrgang63
PublikationsstatusVeröffentlicht - 27 März 2014
Extern publiziertJa

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.

ASJC Scopus Sachgebiete

Zitieren

Load transfer of graphene/carbon nanotube/polyethylene hybrid nanocomposite by molecular dynamics simulation. / Zhang, Yancheng; Zhuang, Xiaoying; Muthu, Jacob et al.
in: Composites Part B: Engineering, Jahrgang 63, 27.03.2014, S. 27-33.

Publikation: Beitrag in FachzeitschriftArtikelForschungPeer-Review

Zhang Y, Zhuang X, Muthu J, Mabrouki T, Fontaine M, Gong Y et al. Load transfer of graphene/carbon nanotube/polyethylene hybrid nanocomposite by molecular dynamics simulation. Composites Part B: Engineering. 2014 Mär 27;63:27-33. doi: 10.1016/j.compositesb.2014.03.009
Zhang, Yancheng ; Zhuang, Xiaoying ; Muthu, Jacob et al. / Load transfer of graphene/carbon nanotube/polyethylene hybrid nanocomposite by molecular dynamics simulation. in: Composites Part B: Engineering. 2014 ; Jahrgang 63. S. 27-33.
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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.",
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T1 - Load transfer of graphene/carbon nanotube/polyethylene hybrid nanocomposite by molecular dynamics simulation

AU - Zhang, Yancheng

AU - Zhuang, Xiaoying

AU - Muthu, Jacob

AU - Mabrouki, Tarek

AU - Fontaine, Michaël

AU - Gong, Yadong

AU - Rabczuk, Timon

N1 - Funding information: The authors thank Dr. J.W. Jiang and Dr. J.H. Zhao for the helpful discussions. The authors would like to acknowledge the financial supports from the German Federation of Materials Science and Engineering (BV MatWerk), the German Research Foundation (DFG), the Marie Curie International Research Staff Exchange Scheme (IRSES)- MULTIFRAC and National Basic Research Program of China (973 Program: 2011CB013800). Prof. Y. Gong would like to thank the National Natural Science Foundation of China ( 51375082 ), and Prof. T. Rabczuk also thanks the Humboldt-foundation .

PY - 2014/3/27

Y1 - 2014/3/27

N2 - 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.

AB - 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.

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