@article{38699a88be784176867770fcaee32196,
title = "Thermal conductivity of silicon nanowire by nonequilibrium molecular dynamics simulations",
abstract = "The thermal conductivity of silicon nanowires was predicted using the nonequilibrium molecular dynamics method using the Stillinger-Weber potential model and the Nose-Hoover thermostat. The dependence of the thermal conductivity on the wire length, cross-sectional area, and temperature was investigated. The surface along the longitudinal direction was set as a free boundary with potential boundaries in the other directions. The cross-sectional areas of the nanowires ranged from about 5 to 19 nm2 with lengths ranging from 6 to 54 nm. The thermal conductivity dependence on temperature agrees well with the experimental results. The reciprocal of the thermal conductivity was found to be linearly related to the nanowire length. These results quantitatively show that decreasing the cross-sectional area reduces the phonon mean free path in nanowires.",
author = "Wang, {Shuai Chuang} and Liang, {Xin Gang} and Xu, {Xiang Hua} and Taku Ohara",
note = "Funding Information: This research was supported by the National Natural Science Foundation of China, Grant No. 50776053. S. Wang acknowledges Daichi Torii for helpful discussions. Simulations were performed utilizing the SGI Altix 3700B at the Institute of Fluid Science, Tohoku University with the support of the 21 Century COE Program of Flow Dynamics by the Japan Society for the Promotion of Science. Table I. Quantum corrections of the nanowire temperature and the thermal conductivity obtained using MD for infinite length of 2.2 × 2.2 nm 2 wires. T MD (K) T (K) κ / κ MD κ MD ( W / m K ) κ ( W / m K ) 200 ⋯ ⋯ 3.03 ⋯ 300 210 0.66 2.61 1.72 400 340 0.83 2.35 1.95 500 456 0.94 2.28 2.14 FIG. 1. Schematic diagram showing the three-dimensional lattice configuration. FIG. 2. Quantum-corrected temperatures vs MD temperatures for a silicon nanowire. FIG. 3. Temperature profile in a silicon nanowire. The system size has a cross section of 8 UC × 8 UC and is 20 UC long. The straight solid line is a linear fit of the middle third of the data. FIG. 4. Heat flux valuations of nanowire over time. FIG. 5. Reciprocal of MD thermal conductivity for various nanowire lengths and temperatures for 2.2 × 2.2 nm 2 wires. The inset shows the direct relationship between the thermal conductivity and length. All the values were obtained directly from the MD simulations and are not quantum corrected. FIG. 6. Valuation of MD thermal conductivity with nanowire length for various cross-sectional areas for a mean temperature of 400 K. ",
year = "2009",
doi = "10.1063/1.3063692",
language = "English",
volume = "105",
journal = "Journal of Applied Physics",
issn = "0021-8979",
publisher = "American Institute of Physics Publising LLC",
number = "1",
}