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Title: Atomistic Simulation of the Size and Orientation Dependences of Thermal Conductivity in GaN Nanowires

Abstract

The thermal conductivity of GaN nanowires has been determined computationally, by applying nonequilibrium atomistic simulation methods using the Stillinger-Weber [Phys. Rev. B 31, 5262 (1985)] potentials. The simulation results show that the thermal conductivity of the GaN nanowires is smaller than that of a bulk crystal and increases with increasing diameter. Surface scattering of phonons and the high surface to volume ratios of the nanowires are primarily responsible for the reduced thermal conductivity and its size dependence behavior. The thermal conductivity is also found to decrease with increasing temperature, which is due to phonon-phonon interactions at high temperatures. The thermal conductivity also exhibits a dependence on axial orientation of the nanowires.

Authors:
; ; ; ;
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org.:
USDOE
OSTI Identifier:
908730
Report Number(s):
PNNL-SA-54253
Journal ID: ISSN 0003-6951; APPLAB; 8208; KC0201020; TRN: US0703753
DOE Contract Number:  
AC05-76RL01830
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters, 90(16):Art. No. 161923; Journal Volume: 90; Journal Issue: 16
Country of Publication:
United States
Language:
English
Subject:
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS; ORIENTATION; PHONONS; SCATTERING; SIMULATION; THERMAL CONDUCTIVITY; Thermal conductivity; Nanowires; GaN; Computer simulations; Environmental Molecular Sciences Laboratory

Citation Formats

Wang, Zhiguo, Zu, Xiaotao, Gao, Fei, Weber, William J., and Crocombette, J.-P. Atomistic Simulation of the Size and Orientation Dependences of Thermal Conductivity in GaN Nanowires. United States: N. p., 2007. Web. doi:10.1063/1.2730747.
Wang, Zhiguo, Zu, Xiaotao, Gao, Fei, Weber, William J., & Crocombette, J.-P. Atomistic Simulation of the Size and Orientation Dependences of Thermal Conductivity in GaN Nanowires. United States. doi:10.1063/1.2730747.
Wang, Zhiguo, Zu, Xiaotao, Gao, Fei, Weber, William J., and Crocombette, J.-P. Mon . "Atomistic Simulation of the Size and Orientation Dependences of Thermal Conductivity in GaN Nanowires". United States. doi:10.1063/1.2730747.
@article{osti_908730,
title = {Atomistic Simulation of the Size and Orientation Dependences of Thermal Conductivity in GaN Nanowires},
author = {Wang, Zhiguo and Zu, Xiaotao and Gao, Fei and Weber, William J. and Crocombette, J.-P.},
abstractNote = {The thermal conductivity of GaN nanowires has been determined computationally, by applying nonequilibrium atomistic simulation methods using the Stillinger-Weber [Phys. Rev. B 31, 5262 (1985)] potentials. The simulation results show that the thermal conductivity of the GaN nanowires is smaller than that of a bulk crystal and increases with increasing diameter. Surface scattering of phonons and the high surface to volume ratios of the nanowires are primarily responsible for the reduced thermal conductivity and its size dependence behavior. The thermal conductivity is also found to decrease with increasing temperature, which is due to phonon-phonon interactions at high temperatures. The thermal conductivity also exhibits a dependence on axial orientation of the nanowires.},
doi = {10.1063/1.2730747},
journal = {Applied Physics Letters, 90(16):Art. No. 161923},
number = 16,
volume = 90,
place = {United States},
year = {Mon Apr 16 00:00:00 EDT 2007},
month = {Mon Apr 16 00:00:00 EDT 2007}
}