Thermal Transport in Polyethylene Reinforced with H/CH<sub>3</sub>/C<sub>2</sub>H<sub>5</sub> Functionalized Graphene: A Molecular Dynamics Study

Thermal Transport in Polyethylene Reinforced with H/CH<sub>3</sub>/C<sub>2</sub>H<sub>5</sub> Functionalized Graphene: A Molecular Dynamics Study

Effective thermal management in polymer-based materials remains a critical challenge due to their inherently low thermal conductivity, driving the need for advanced nanocomposites. This study develops non-equilibrium molecular dynamics (NEMD) simulations to investigate the thermal transport properti...

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Bibliographic Details
Main Authors: Nava Zarkhah, Mostafa Baghani, Daniel George, Ali Rajabpour, Majid Baniassadi, Mohammadreza Aghaei
Format: Article
Language:English
Published: MDPI AG 2025-03-01
Series:Energies
Subjects:
molecular dynamics
interfacial thermal conductance
nanocomposite
functionalization groups
graphene
polyethylene
Online Access:https://www.mdpi.com/1996-1073/18/7/1647
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