Nuclear Science and Techniques

《核技术》(英文版) ISSN 1001-8042 CN 31-1559/TL     2019 Impact factor 1.556

Nuclear Science and Techniques ›› 2010, Vol. 21 ›› Issue (1): 39-43 doi: 10.13538/j.1001-8042/nst.21.39-43

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

WANG Zenghui* HUANG Xiaofeng   

  1. College of Physical Sciences, Graduate University of Chinese Academy of Sciences, Beijing 100049, China
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WANG Zenghui, HUANG Xiaofeng. A non-equilibrium molecular dynamics study of the thermal conductivity of uranium dioxide.Nuclear Science and Techniques, 2010, 21(1): 39-43     doi: 10.13538/j.1001-8042/nst.21.39-43

Abstract:

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.

Key words: Uranium dioxide, Thermal conductivity, Non-equilibrium molecular dynamics