Cited Article: Holt JK. Fast mass transport through sub-2-nanometer carbon nanotubes
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AU Thomas, JA
Iutzi, RM
McGaughey, AJH
AF Thomas, John A.
Iutzi, Ryan M.
McGaughey, Alan J. H.
TI Thermal conductivity and phonon transport in empty and water-filled
carbon nanotubes
SO PHYSICAL REVIEW B
LA English
DT Article
ID MOLECULAR-DYNAMICS; HEAT-CONDUCTION; GRAPHITE; FLOW; SEMICONDUCTORS;
SIMULATIONS; COMPOSITES; GRAPHENE; LIQUID
AB The thermal conductivities of empty and water-filled single-walled
carbon nanotubes (CNTs) with diameters between 0.83 and 1.36 nm and
lengths ranging from 200 to 1400 nm are predicted using molecular
dynamics simulation. Using a direct application of the Fourier law, we
explore the transition to fully diffusive phonon transport with
increasing CNT length. For empty CNTs, we find that the CNT length
required to obtain fully diffusive phonon transport decreases from 1090
nm for the 0.83-nm-diameter CNT to 510 nm for the 1.36-nm-diameter CNT.
The magnitude of the fully diffusive thermal conductivity also
decreases monotonically with increasing CNT diameter. We find that the
fully diffusive thermal conductivity of water-filled CNTs is 20%-35%
lower than that of empty CNTs. By examining the empty and water-filled
CNT density of states, we attribute the thermal conductivity reductions
to an increase in low-frequency acoustic phonon scattering due to
interactions with the water molecules.
C1 [Thomas, John A.; Iutzi, Ryan M.; McGaughey, Alan J. H.] Carnegie Mellon Univ, Dept Mech Engn, Pittsburgh, PA 15213 USA.
RP Thomas, JA, Carnegie Mellon Univ, Dept Mech Engn, Pittsburgh, PA 15213
USA.
EM mcgaughey@cmu.edu
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NR 57
TC 0
PU AMER PHYSICAL SOC; ONE PHYSICS ELLIPSE, COLLEGE PK, MD 20740-3844 USA
SN 1098-0121
DI 10.1103/PhysRevB.81.045413
PD JAN
VL 81
IS 4
AR 045413
SC Physics, Condensed Matter
GA 548XG
UT ISI:000274002500095
ER
EF
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