Atomistic modeling of graphene/hexagonal boron nitride polymer nanocomposites: a review

A Verma, A Parashar… - Wiley Interdisciplinary …, 2018 - Wiley Online Library
Due to their exceptional properties, graphene and hexagonal boron nitride (h‐BN)
nanofillers are emerging as potential candidates for reinforcing the polymer‐based …

Theory and simulation studies of effective interactions, phase behavior and morphology in polymer nanocomposites

V Ganesan, A Jayaraman - Soft Matter, 2014 - pubs.rsc.org
Polymer nanocomposites are a class of materials that consist of a polymer matrix filled with
inorganic/organic nanoscale additives that enhance the inherent macroscopic (mechanical …

[HTML][HTML] Temperature dependent mechanical properties of graphene reinforced polymer nanocomposites–a molecular dynamics simulation

F Lin, Y Xiang, HS Shen - Composites Part B: Engineering, 2017 - Elsevier
This paper investigates the mechanical properties of graphene/PMMA nanocomposite
system by using the molecular dynamics simulations. The graphene nanoplates are …

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 …

Electrical sensing of the thermal and light‐induced spin transition in robust contactless spin‐crossover/graphene hybrid devices

M Gavara‐Edo, R Córdoba… - Advanced …, 2022 - Wiley Online Library
Hybrid devices based on spin‐crossover (SCO)/2D heterostructures grant a highly sensitive
platform to detect the spin transition in the molecular SCO component and tune the …

Ultrafast low-energy electron diffraction in transmission resolves polymer/graphene superstructure dynamics

M Gulde, S Schweda, G Storeck, M Maiti, HK Yu… - Science, 2014 - science.org
Two-dimensional systems such as surfaces and molecular monolayers exhibit a multitude of
intriguing phases and complex transitions. Ultrafast structural probing of such systems offers …

Modeling of polymer structure and conformations in polymer nanocomposites from atomistic to mesoscale: A Review

A Karatrantos, N Clarke, M Kröger - Polymer reviews, 2016 - Taylor & Francis
Over the past two decades polymer nanocomposites have received tremendous interest
from industry and academia due to their advanced properties comparative to polymer …

Dynamics of various polymer–graphene interfacial systems through atomistic molecular dynamics simulations

AN Rissanou, V Harmandaris - Soft Matter, 2014 - pubs.rsc.org
The current work refers to a simulation study on hybrid polymer–graphene interfacial
systems. We explore the effect of graphene on the mobility of polymers, by studying three …

A review of computational studies of bottlebrush polymers

E Mohammadi, SY Joshi, SA Deshmukh - Computational Materials Science, 2021 - Elsevier
Bottlebrush polymers (BBPs) are a class of grafted polymers, which have attracted much
attention due to their wide range of novel applications. The properties of these grafted …

New fabricated PMMA-PVA/graphene oxide nanocomposites: Structure, optical properties and application

MA Kadhim, E Al-Bermany - Journal of Composite Materials, 2021 - journals.sagepub.com
Graphene oxide nanosheets (GO) bring more interest in the tunable bandgap and enhanced
the optical properties of nanocomposites. The developed method successfully mixed the …