Thermal conductivities of ThO2, NpO2 and their related oxides: Molecular dynamics study

被引：16
作者：
Arima, Tatsumi [1 ]
Yoshida, Keita [1 ]
Matsumoto, Taku [1 ]
Inagaki, Yaohiro [1 ]
Idemitsu, Kazuya [1 ]
机构：
[1] Kyushu Univ, Fac Engn, Dept Appl Quantum Phys & Nucl Engn, Nishi Ku, Fukuoka 8190395, Japan
来源：
JOURNAL OF NUCLEAR MATERIALS | 2014年 / 445卷 / 1-3期
关键词：
ONE-COMPONENT PLASMA; SOLID-SOLUTIONS; TRANSPORT-COEFFICIENTS; NEPTUNIUM DIOXIDE; ACTINIDE DIOXIDES; URANIUM-DIOXIDE; INERT MATRIX; EXPANSION; SIMULATION; UO2;
D O I：
10.1016/j.jnucmat.2013.11.006
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The thermal conductivities of ThO2, NpO2, (Th, U)O-2, (Th, Pu)O-2 and (U, Np)O-2 have been investigated by molecular dynamics (MD) simulation up to 2000 K using the Busing-Ida potential function with partial ionic charges. In the present study, the thermal conductivity was calculated mainly by the Green-Kubo formula in the equilibrium MD scheme. The thermal conductivities of above actinide dioxides decreased with the increase of temperature due to the phonon-phonon interaction (Umklapp process). Concerning the composition of solid solutions, the decrease in thermal conductivity of (Th, Pu)O-2 is great as compared to other ones. Various MD calculations elucidated that this result was caused by phonon scattering by lattice defects as additives rather than the phonon-phonon interaction, and that the lattice strain dominantly contributed to it. (C) 2013 Elsevier B.V. All rights reserved.
引用
收藏
页码：175 / 180
页数：6
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