Effect of microstructure on the thermal conductivity of disordered carbon

Computational methods are used to control the degree of structural order in a variety of carbonmaterials containing primarily sp2 bonding. Room-temperature thermal conductivities arecomputed using non-equilibrium molecular dynamics. Our results reproduce experimental data foramorphous and glassy car...

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Main Authors: Suarez-Martinez, Irene, Marks, Nigel
Format: Journal Article
Published: American Institute of Physics 2011
Subjects:
Online Access:http://hdl.handle.net/20.500.11937/14219
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author Suarez-Martinez, Irene
Marks, Nigel
author_facet Suarez-Martinez, Irene
Marks, Nigel
author_sort Suarez-Martinez, Irene
building Curtin Institutional Repository
collection Online Access
description Computational methods are used to control the degree of structural order in a variety of carbonmaterials containing primarily sp2 bonding. Room-temperature thermal conductivities arecomputed using non-equilibrium molecular dynamics. Our results reproduce experimental data foramorphous and glassy carbons and confirm previously proposed structural models for vitreouscarbons. An atomistic model is developed for highly oriented thin films seen experimentally, with amaximum computed thermal conductivity of 35 W m1 K1. This value is much higher than thatof the amorphous and glassy structures, demonstrating that the microstructure influences thethermal conductivity more strongly than the density.
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institution Curtin University Malaysia
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publishDate 2011
publisher American Institute of Physics
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spelling curtin-20.500.11937-142192017-09-13T16:00:44Z Effect of microstructure on the thermal conductivity of disordered carbon Suarez-Martinez, Irene Marks, Nigel thermal conductivity disordered carbon Computational methods are used to control the degree of structural order in a variety of carbonmaterials containing primarily sp2 bonding. Room-temperature thermal conductivities arecomputed using non-equilibrium molecular dynamics. Our results reproduce experimental data foramorphous and glassy carbons and confirm previously proposed structural models for vitreouscarbons. An atomistic model is developed for highly oriented thin films seen experimentally, with amaximum computed thermal conductivity of 35 W m1 K1. This value is much higher than thatof the amorphous and glassy structures, demonstrating that the microstructure influences thethermal conductivity more strongly than the density. 2011 Journal Article http://hdl.handle.net/20.500.11937/14219 10.1063/1.3607872 American Institute of Physics fulltext
spellingShingle thermal conductivity
disordered carbon
Suarez-Martinez, Irene
Marks, Nigel
Effect of microstructure on the thermal conductivity of disordered carbon
title Effect of microstructure on the thermal conductivity of disordered carbon
title_full Effect of microstructure on the thermal conductivity of disordered carbon
title_fullStr Effect of microstructure on the thermal conductivity of disordered carbon
title_full_unstemmed Effect of microstructure on the thermal conductivity of disordered carbon
title_short Effect of microstructure on the thermal conductivity of disordered carbon
title_sort effect of microstructure on the thermal conductivity of disordered carbon
topic thermal conductivity
disordered carbon
url http://hdl.handle.net/20.500.11937/14219