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

共 50 条

[1] GRAIN GROWTH IN THIN FILMS OF THO2 NPO2 AND PUO2
BRONISZ, SE
DOUGLASS, DL
PHYSICA STATUS SOLIDI, 1968, 29 (02): : K095 - +
[2] FEATURES OF PHONON SPECTRA OF CeO2, ThO2, and NpO2 CRYSTALS DUE TO THE STRUCTURE OF THEIR SUBLATTICES
Zolotarev, M. L.
Poplavnoi, A. S.
Fedorova, T. P.
Fedorov, I. A.
RUSSIAN PHYSICS JOURNAL, 2021, 64 (01) : 58 - 66
[3] ESTIMATIONS OF HEAT CAPACITIES FOR ACTINIDE DIOXIDE: UO2, NpO2, ThO2, AND PuO2
Eser, E.
Koc, H.
Gokbulut, M.
Gursoy, G.
NUCLEAR ENGINEERING AND TECHNOLOGY, 2014, 46 (06) : 863 - 868
[4] Features of Phonon Spectra of CeO2, ThO2, and NpO2 Crystals Due to the Structure of their Sublattices
M. L. Zolotarev
A. S. Poplavnoi
T. P. Fedorova
I. A. Fedorov
Russian Physics Journal, 2021, 64 : 58 - 66
[5] Laser ablation mass spectrometry of actinide dioxides:: ThO2, UO2, NpO2, PuO2 and AmO2
Gibson, JK
RADIOCHIMICA ACTA, 1998, 81 (02) : 83 - 91
[6] Determination of Thermal Properties Pure ThO2 using Classical Molecular Dynamics Simulations
Ghosh, Partha S.
Kaur, Karamvir
Ali, K.
Arya, A.
Dey, G. K.
DAE SOLID STATE PHYSICS SYMPOSIUM 2015, 2016, 1731
[7] Dependence of thermal conductivity on radiation defects in ThO2 investigated by molecular dynamics method
Wang, Ziqiang
Yang, Chen
Yu, Miaosen
Ma, Wenxue
Guo, Liyao
Wei, Zhixian
Gao, Ning
Yao, Zhongwen
Wang, Xuelin
NUCLEAR MATERIALS AND ENERGY, 2024, 39
[8] Molecular dynamics study on thermal properties of ThO2 doped with U and Pu in high temperature range
Ma, Jiang-Jiang
Du, Ji-Guang
Wan, Ming-Jie
Jiang, Gang
JOURNAL OF ALLOYS AND COMPOUNDS, 2015, 627 : 476 - 482
[9] A NEUTRON DIFFRACTION STUDY OF NPO2
COX, DE
FRAZER, BC
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1967, 28 (09) : 1649 - &
[10] Phonon modal analysis of thermal transport in ThO2 2 with point defects using equilibrium molecular dynamics
Chen, Beihan
Malakkal, Linu
Khafizov, Marat
Hurley, David H.
Jin, Miaomiao
JOURNAL OF NUCLEAR MATERIALS, 2024, 601

← 1 2 3 4 5 →