APS March Meeting 2011
Volume 56, Number 1
Monday–Friday, March 21–25, 2011;
Dallas, Texas
Abstract: K1.00262 : A search for the dominant heat conducting phonon modes in graphene: An atomistic simulation study
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Author:
We have performed an equilibrium molecular dynamic (MD)
simulation study to
investigate phonon thermal transport in graphene at 300K with
Green-Kubo
method. Using a newly optimized reactive empirical bond order carbon
potential (Lindsay, et al. Physical Review B 81, 205441, 2010), our
calculated thermal conductivity (TC) of defect free graphene is
about 3000
W/mK in good agreement with experiments($\sim $3000-5000 W/mK). A
maximum of
$\sim $1000 fold reduction in TC is possible to achieve for
graphene with
defects and surrounding viscous medium. As we decompose the
in-plane and
out-plane phonon vibration modes of graphene in MD simulations,
the out of
plane vibration modes (ZA phonon) contribute to about 50{\%} of
the overall
TC. This large contribution from ZA modes is explained with
density of
states analysis. We have clarified a recent controversy on which
polarization mode in graphene is the main heat carrier.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2011.MAR.K1.262
