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Characterizing phonon thermal conduction in polycrystalline graphene

Published online by Cambridge University Press:  10 January 2014

Yanlei Wang ,
Zhigong Song  and
Zhiping Xu
Yanlei Wang
Affiliation:
Applied Mechanics Laboratory, Department of Engineering Mechanics and Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084, China
Zhigong Song
Affiliation:
Applied Mechanics Laboratory, Department of Engineering Mechanics and Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084, China
Zhiping Xu*
Affiliation:
Applied Mechanics Laboratory, Department of Engineering Mechanics and Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084, China
*
a)Address all correspondence to this author. e-mail: [email protected]
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Abstract

Phonon thermal conduction was explored and discussed through a combined theoretical and simulation approach in this work. The thermal conductivity κ of polycrystalline graphene was calculated by molecular dynamics simulations based on a hexagonal patch model in close consistency with microstructural characterization in experiments. The effects of grain size, alignment, and temperature were identified with discussion on the microscopic phonon scattering mechanisms. The effective thermal conductivity was found to increase with the grain size and decrease with the mismatch angle and dislocation density at the grain boundaries (GBs). The ∼T−1 temperature dependence of κ is significantly weakened in the polycrystals. The effect of GBs in modifying thermal transport properties of graphene was characterized by their effective width and thermal conductivity as an individual phase, which was later included in a predictive effective medium model that showed degraded reduction in thermal conductivity for grains larger than a few micrometers.

Keywords

polycrystalline graphenegrain boundariesthermal conductivity
Type
Invited Feature Paper
Information
Journal of Materials Research , Volume 29 , Issue 3: Focus Issue: Graphene and Beyond , 14 February 2014 , pp. 362 - 372
Copyright
Copyright © Materials Research Society 2014 

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