-
Multiscale modeling of epoxy-based nanocomposites reinforced with functionalized and non-functionalized graphene nanoplatelets
- Back
Metadata
Document Title
Multiscale modeling of epoxy-based nanocomposites reinforced with functionalized and non-functionalized graphene nanoplatelets
Author
Al Mahmud H., Radue M.S., Chinkanjanarot S., Odegard G.M.
Name from Authors Collection
Affiliations
Department of Mechanical Engineering, University of Kufa, P.O. Box 21, Kufa, Najaf Governorate, Iraq; Department of Mechanical Engineering—Engineering Mechanics, Michigan Technological University, Houghton, MI 49931, United States; National Metal and Materials Technology Center (MTEC), National Science and Technology Development Agency (NSTDA), 114 Thailand Science Park, Thanon Pahonyothin, Tambon Khlong Nueng, Amphoe Khlong Luang, Pathum Thani, 12120, Thailand
Type
Article
Source Title
Polymers
ISSN
20734360
Year
2021
Volume
13
Issue
12
Open Access
Gold, Green
Publisher
MDPI AG
DOI
10.3390/polym13121958
Abstract
The impact on the mechanical properties of an epoxy resin reinforced with pristine graphene nanoplatelets (GNP), highly concentrated graphene oxide (GO), and functionalized graphene oxide (FGO) has been investigated in this study. Molecular dynamics (MD) using a reactive force field (ReaxFF) has been employed in predicting the effective mechanical properties of the interphase region of the three nanocomposite materials at the nanoscale level. A systematic computational approach to simulate the reinforcing nanoplatelets and probe their influence on the mechanical properties of the epoxy matrix is established. The modeling results indicate a significant degradation of the in-plane elastic Young’s (decreased by ~89%) and shear (decreased by ~72.5%) moduli of the nanocomposite when introducing large amounts of oxygen and functional groups to the robust sp2 structure of the GNP. However, the wrinkled morphology of GO and FGO improves the nanoplatelet-matrix interlocking mechanism, which produces a significant improvement in the out-of-plane shear modulus (increased by 2 orders of magnitudes). The influence of the nanoplatelet content and aspect ratio on the mechanical response of the nanocomposites has also been determined in this study. Generally, the predicted mechanical response of the bulk nanocomposite materials demonstrates an improvement with increasing nanoplatelet content and aspect ratio. The results show good agreement with experimental data available from the literature. © 2021 by the authors. Licensee MDPI, Basel, Switzerland.
Funding Sponsor
Michigan Technological University
License
CC BY
Rights
Author
Publication Source
Scopus