Equilibrium Molecular Dynamics (MD) Simulation Study of Thermal Conductivity of Graphene Nanoribbon: A Comparative Study on MD Potentials

Equilibrium Molecular Dynamics (MD) Simulation Study of Thermal Conductivity of Graphene Nanoribbon: A Comparative Study on MD Potentials

The thermal conductivity of graphene nanoribbons (GNRs) has been investigated using equilibrium molecular dynamics (EMD) simulation based on Green-Kubo (GK) method to compare two interatomic potentials namely optimized Tersoff and 2nd generation Reactive Empirical Bond Order (REBO). Our comparative...

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Bibliographic Details
Main Authors: Asir Intisar Khan, Ishtiaque Ahmed Navid, Maliha Noshin, H. M. Ahsan Uddin, Fahim Ferdous Hossain, Samia Subrina
Format: Article
Language:English
Published: MDPI AG 2015-12-01
Series:Electronics
Subjects:
thermal conductivity
graphene nanoribbon
equilibrium molecular dynamics
Green-Kubo
optimized Tersoff potential
2nd generation REBO potential
Online Access:http://www.mdpi.com/2079-9292/4/4/1109

Internet

http://www.mdpi.com/2079-9292/4/4/1109

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