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Effect of grain boundaries on the interfacial behaviour of graphene-polyethylene nanocomposite


Effect of grain boundaries on the interfacial behaviour of graphene-polyethylene nanocomposite

Verma, Akarsh, Parashar, Avinash and Packirisamy, M. (2018) Effect of grain boundaries on the interfacial behaviour of graphene-polyethylene nanocomposite. Applied Surface Science . ISSN 01694332 (In Press)

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Effect-of-grain-boundaries-on-the-interfacial-behaviour-o_2018_Applied-Surfa.pdf - Accepted Version
Restricted to Repository staff only until 28 November 2020.
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Official URL: http://dx.doi.org/10.1016/j.apsusc.2018.11.218


Aim of this article was to investigate the effect of grain boundaries on the interfacial properties of bi-crystalline graphene/polyethylene based nanocomposites. Molecular dynamics based atomistic simulations were performed in conjunction with the reactive force field parameters to capture atomic interactions within graphene and polyethylene atoms, whereas non-bonded interactions were considered for the interfacial properties. Atoms at the higher energy state in bi-crystalline graphene helps in improving the interaction at the nanocomposite interphase. Geometrical imperfections such as wrinkles and ripples helps the bi-crystalline graphene in increasing the number of adhesion points between the nanofiller and matrix, which eventually improves the strength and toughness of nanocomposite. These outcomes will help in opening new opportunities for defective nanofillers in the development of nanocomposites for future applications.

Divisions:Concordia University > Gina Cody School of Engineering and Computer Science > Mechanical, Industrial and Aerospace Engineering
Item Type:Article
Authors:Verma, Akarsh and Parashar, Avinash and Packirisamy, M.
Journal or Publication:Applied Surface Science
Date:28 November 2018
  • Council of Scientific and Industrial Research (CSIR)
  • Department of Science and Technology (DST), India
Digital Object Identifier (DOI):10.1016/j.apsusc.2018.11.218
Keywords:Graphene; Grain boundaries; Polyethylene; Molecular dynamics; Reactive force field; Nanocomposites
ID Code:984721
Deposited By: MONIQUE LANE
Deposited On:30 Nov 2018 20:32
Last Modified:30 Nov 2018 20:32


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