A review on the mechanical and thermal properties of graphene and graphene-based polymer nanocomposites: understanding of modelling and MD simulation

A Kumar, K Sharma, AR Dixit - Molecular Simulation, 2020 - Taylor & Francis
Simulation of molecular dynamics (MD) allows mimicking the systematic variation of
mechanical properties beyond the capacity of experimental methods. In this review, the …

Experimental and computational studies to analyze the effect of h-BN nanosheets on mechanical behavior of h-BN/polyethylene nanocomposites

A Chaurasia, A Verma, A Parashar… - The Journal of Physical …, 2019 - ACS Publications
In this article, experimental and classical mechanics-based approaches have been used to
study the reinforcing capabilities of hexagonal boron nitride (h-BN) nanosheets for …

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

A Verma, A Parashar, M Packirisamy - Applied Surface Science, 2019 - Elsevier
Aim of this article was to investigate the effect of grain boundaries on the interfacial
properties of bi-crystalline graphene/polyethylene based nanocomposites. Molecular …

Significantly improved interfacial shear strength in graphene/copper nanocomposite via wrinkles and functionalization: A molecular dynamics study

S Zhao, Y Zhang, J Yang, S Kitipornchai - Carbon, 2021 - Elsevier
Graphene reinforced metal matrix composites (MMCs) have received extensive research
interests as promising structural materials in developing lightweight structures. The …

An atomistic study on the thermomechanical properties of graphene and functionalized graphene sheets modified asphalt

F Nie, W Jian, D Lau - Carbon, 2021 - Elsevier
Functionalized graphene is potential to become the next generation of modifier for asphalt
pavements which require long-term durability in service. However, the reinforcing …

Graphene and graphene oxide in calcium silicate hydrates: Chemical reactions, mechanical behavior and interfacial sliding

MF Kai, LW Zhang, KM Liew - Carbon, 2019 - Elsevier
We investigate chemical reactions, mechanical behaviors and interfacial sliding of calcium
silicate hydrates (Csingle bondSsingle bondH) incorporating graphene nanosheet (GNS) …

Multiscale modeling of epoxy-based nanocomposites reinforced with functionalized and non-functionalized graphene nanoplatelets

H Al Mahmud, MS Radue, S Chinkanjanarot… - Polymers, 2021 - mdpi.com
The impact on the mechanical properties of an epoxy resin reinforced with pristine graphene
nanoplatelets (GNP), highly concentrated graphene oxide (GO), and functionalized …

Mechanical properties of diamond nanothread reinforced polymer composites

LW Zhang, WM Ji, KM Liew - Carbon, 2018 - Elsevier
One-dimensional diamond nanothread (DNT) has drawn intensive research interests and
become a promising candidate for nanocomposites reinforcement. This paper explores the …

Enhanced interfacial characteristics in PLA/graphene composites through numerically-designed interface treatment

K Hasheminejad, A Montazeri - Applied Surface Science, 2020 - Elsevier
Despite the various biomedical applications of Polylactic acid (PLA), its usage has been
limited due to the inherent poor mechanical properties of this biodegradable polymer …

Enhanced mechanical properties of epoxy nanocomposites with mildly surface-functionalized graphene oxide by tuned amine species

J Fan, J Yang, L Wang, H Li, J Tian, J Ye… - Applied Surface Science, 2021 - Elsevier
The surface functionalization of graphene oxide (GO) is always attractive in modulating the
interfacial characteristics, improving the interfacial bonds and mechanical properties of …