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

页码：175 / 180

页数：6

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