Document Type
Article
Publication Date
1-2023
Department
Department of Mechanical Engineering-Engineering Mechanics
Abstract
In this work, a characterization study of the interfacial interaction between different types of graphene nanoplatelets and an epoxy matrix is computationally performed. To quantify the discrete mutual graphene–epoxy “interfacial interaction energy” (IIE) within the nanocomposite, molecular dynamics simulations with a reactive force field are performed on a localized model of the suggested nanocomposite. Pull-out molecular dynamics simulations are also performed to predict the interfacial shear strength between the two constituents. The results indicate a significant increase in interfacial adhesion of functionalized nanoplatelets with the hosting epoxy matrix relative to virgin graphene nanoplatelets. The obtained results also demonstrate a dramatic increase in the interfacial interaction energy (IIE) (up to 570.0%) of the functionalized graphene/epoxy nanocomposites relative to the unmodified graphene/epoxy nanocomposites. In the same context, the surface functionalization of graphene nanoplatelets with the polymer matrix leads to a significant increase in the interfacial shear strength (ISS) (up to 750 times). The reported findings in this paper are essential and critical to producing the next generation of lightweight and ultra-strong polymer-based nanocomposite structural materials.
Publication Title
Nanomaterials
Recommended Citation
Al Muhmud, H.,
Patil, S. U.,
Radue, M. S.,
&
Odegard, G.
(2023).
Probing the Influence of Surface Chemical Functionalization on Graphene Nanoplatelets-Epoxy Interfacial Shear Strength Using Molecular Dynamics.
Nanomaterials,
13(2).
http://doi.org/10.3390/nano13020287
Retrieved from: https://digitalcommons.mtu.edu/michigantech-p/16936
Creative Commons License
This work is licensed under a Creative Commons Attribution 4.0 International License.
Version
Publisher's PDF