A non-equilibrium molecular dynamics study of the thermal conductivity of uranium dioxide

NUCLEAR, HEAVY ION AND ATOMIC PHYSICS

A non-equilibrium molecular dynamics study of the thermal conductivity of uranium dioxide

WANG Zenghui，

HUANG Xiaofeng

Nuclear Science and Techniques

Vol.21, No.1

pp.39-43

Published in print 20 Feb 2010

DOI：10.13538/j.1001-8042/nst.21.39-43

40700

The thermal conductivity of uranium dioxide in the temperature range of 300–2400 K was estimated by non-equilibrium molecular dynamics calculation using Fourier law. The Kawamura function was adopted as the interatomic potential function. The calculated thermal conductivities are found to be strongly dependent on the temperature of the simulation cube. The thermal conductivity simulation results are compared with the experiment results and agreed well with the experimental results when the temperature is above 600 K. The thermal conductivities scale effects are found to be existed in uranium dioxide nanometer thin film. The approximate mean free paths of phonons in different temperatures can be examined.

Uranium dioxideThermal conductivityNon-equilibrium molecular dynamics

References

[1]

Terentyev D. Comput Mater Sci, 2007, 40: 319-326.

[2]

Van Brutzel L, Rarivomanantsoa M, Ghaleb D. J Nucl Mater, 2006, 354: 28-35.

[3]

Kurosaki K, Yano K, Yamada K, et al. J Alloy Compd, 2001, 319: 253-257.

[4]

Wang Z H, Li Z X. Appl Therm Eng, 2006, 26: 2063-2066.

[5]

Wang Z H, Li Z X. Thin Solid Films, 2005, 515: 2203-2206.

[6]

Watanabe T, Sinnott S B, Tulenko J S, et al. J Nucl Mater, 2008, 375: 388-396.

[7]

Ungerer P, Draghi C N, Rousseau B, et al. J Mol Liq, 2007, 134: 71-89.

[8]

Basak C B. Comput Mater Sci, 2007, 40: 562-568.

[9]

Yamada K, Kurosaki K, Uno M, et al. J Alloy Compd, 2000, 307: 10-16.

[10]

Ronchi C, Sheindlin M, Musella M, et al. J Appl Phys, 1999, 85: 776-789.

[11]

Godfrey T G, Fulkerson W, Kollie T G, et al.

The thermal conductivity of uranium dioxide and armco iron by an improved radial heat flow technique. Oak Ridge National Laboratory Report ORNL-3556

, 1964, 52-70.

Baidu Scholar

Google Scholar

[12]

Hobson I C, Taylor R, Ainscough J B. J Phys D, 1974, 7: 1003-1015.

[13]

Askeland D R, Phulae P P. Essentials of Materials Science and Engineering. Beijing, China: Tsinghua University Press, 2005, 802-803.