Proceedings ArticleDOI
Thermal Transport in Graphene Supported on Copper
Liang Chen,Satish Kumar +1 more
- pp 761-767
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TLDR
In this paper, the authors investigated the thermal transport in suspended graphene and graphene supported on copper substrate using equilibrium molecular dynamics simulations, Green-Kubo method and relaxation time approximation (RTA) approach.Abstract:
The present study investigates the thermal transport in suspended graphene and graphene supported on copper substrate using equilibrium molecular dynamics simulations, Green-Kubo method and relaxation time approximation (RTA) approach. The thermal coupling between graphene and copper substrate was investigated by varying the interaction strength between the carbon atoms and Cu atoms at the interface. The contribution of different phonon modes to the thermal conductivity of suspended and supported graphene was analyzed in order to elucidate the graphene-substrate thermal interactions. The thermal conductivity of graphene decreases with the increasing strength of the interfacial interaction. The analysis shows that the interactions with copper substrate can reduce the thermal conductivity by up to 44%. The decrease of thermal conductivity is primarily due to the suppression of contribution from out-of-plane acoustic (ZA) phonons in the large wave vector region.Copyright © 2012 by ASMEread more
Citations
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Journal ArticleDOI
Measurement of specific heat and thermal conductivity of supported and suspended graphene by a comprehensive Raman optothermal method
TL;DR: The first measurement of the specific heat of multilayer and monolayer graphene in both supported and suspended geometries is reported, and their thermal conductivity was simultaneously measured using a comprehensive Raman optothermal method without needing to know the laser absorption.
Journal ArticleDOI
Predicting phonon properties from equilibrium molecular dynamics simulations
TL;DR: In this paper, the authors describe how equilibrium molecular dynamics simulations (with the help of harmonic lattice dynamics calculations) can be used to predict phonon properties and thermal conductivity using normal mode decomposition.
Journal ArticleDOI
Equilibrium Molecular Dynamics (MD) Simulation Study of Thermal Conductivity of Graphene Nanoribbon: A Comparative Study on MD Potentials
Asir Intisar Khan,Ishtiaque Ahmed Navid,Maliha Noshin,H. M. Ahsan Uddin,Fahim Ferdous Hossain,Samia Subrina +5 more
TL;DR: In this paper, the thermal conductivity of graphene nanoribbons 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).
Journal ArticleDOI
Impacts of potential models on calculating the thermal conductivity of graphene using non-equilibrium molecular dynamics simulations
TL;DR: In this article, the authors employed non-equilibrium molecular dynamics simulations to examine the applicability of four kinds of interatomic potential models: the Tersoff, the REBO, the opt-Tersoff and the AIREBO, which are widely used to model the thermal transport in single and multi-layer graphene, as well as graphite crystallites.
Journal ArticleDOI
Two-Dimensional Thermal Transport in Graphene: A Review of Numerical Modeling Studies
TL;DR: In this paper, the mode-wise phonon contribution to the intrinsic thermal conductivity (κ) of graphene and the effects of extrinsic mechanisms (such as substrate, isotope, impurities, and defects) on κ are discussed.
References
More filters
Journal ArticleDOI
Measurement of specific heat and thermal conductivity of supported and suspended graphene by a comprehensive Raman optothermal method
TL;DR: The first measurement of the specific heat of multilayer and monolayer graphene in both supported and suspended geometries is reported, and their thermal conductivity was simultaneously measured using a comprehensive Raman optothermal method without needing to know the laser absorption.
Journal ArticleDOI
Predicting phonon properties from equilibrium molecular dynamics simulations
TL;DR: In this paper, the authors describe how equilibrium molecular dynamics simulations (with the help of harmonic lattice dynamics calculations) can be used to predict phonon properties and thermal conductivity using normal mode decomposition.
Journal ArticleDOI
Equilibrium Molecular Dynamics (MD) Simulation Study of Thermal Conductivity of Graphene Nanoribbon: A Comparative Study on MD Potentials
Asir Intisar Khan,Ishtiaque Ahmed Navid,Maliha Noshin,H. M. Ahsan Uddin,Fahim Ferdous Hossain,Samia Subrina +5 more
TL;DR: In this paper, the thermal conductivity of graphene nanoribbons 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).
Journal ArticleDOI
Impacts of potential models on calculating the thermal conductivity of graphene using non-equilibrium molecular dynamics simulations
TL;DR: In this article, the authors employed non-equilibrium molecular dynamics simulations to examine the applicability of four kinds of interatomic potential models: the Tersoff, the REBO, the opt-Tersoff and the AIREBO, which are widely used to model the thermal transport in single and multi-layer graphene, as well as graphite crystallites.
Journal ArticleDOI
Two-Dimensional Thermal Transport in Graphene: A Review of Numerical Modeling Studies
TL;DR: In this paper, the mode-wise phonon contribution to the intrinsic thermal conductivity (κ) of graphene and the effects of extrinsic mechanisms (such as substrate, isotope, impurities, and defects) on κ are discussed.
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