Effect of microstructure on the thermal conductivity of disordered carbon
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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.
Copyright 2011 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
The following article appeared in Applied Physics Letters and may be found at http://apl.aip.org/resource/1/applab/v99/i3/p033101_s1
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