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Linear and Nonlinear Thermal Transport in Graphene: Molecular Dynamics Simulations

Published online by Cambridge University Press:  17 October 2011

Bo Qiu ,
Yan Wang  and
Xiulin Ruan
Bo Qiu
Affiliation:
School of Mechanical Engineering, Purdue University, West Lafayette, Indiana 47907, USA, and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907, USA
Yan Wang
Affiliation:
School of Mechanical Engineering, Purdue University, West Lafayette, Indiana 47907, USA, and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907, USA
Xiulin Ruan*
Affiliation:
School of Mechanical Engineering, Purdue University, West Lafayette, Indiana 47907, USA, and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907, USA
*
*Email: ruan@purdue.edu
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Abstract

In this work, we perform molecular dynamics (MD) simulations to study the linear thermal transport in suspended graphene and the nonlinear thermal transport phenomena in graphene nanoribbons (GNR). We use spectral energy density analysis to quantitatively address the relative importance of different types of phonon in thermal transport in suspended graphene. Negative differential thermal conductance (NDTC) and thermal rectification in graphene nanoribbons have been studied using nonequilibrium molecular dyanmics simulations. Ballistic transport regime, sufficient temperature nonlinearity and asymmetry are found to be necessary conditions for the onset of these behaviors.

Keywords

simulationthermal conductivitythermal stresses
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1347: Symposium BB – Nanoscale Heat Transport—From Fundamentals to Devices , 2011 , mrss11-1347-bb10-08
Copyright
Copyright © Materials Research Society 2011

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