Investigation of O/M ratio effect on thermal conductivity of oxide nuclear fuels by non-equilibrium molecular dynamics calculation

被引：11

作者：

Matsumoto, Taku ^{[1
]}

Arima, Tatsumi ^{[1
]}

Inagaki, Yaohiro ^{[1
]}

Idemitsu, Kazuya ^{[1
]}

Kato, Masato ^{[2
]}

Uchida, Teppei ^{[2
]}

机构：

[1] Kyushu Univ, Fac Engn, Dept Appl Quantum Phys & Nucl Engn, Fukuoka 8190395, Japan

[2] Japan Atom Energy Agcy, Nucl Fuel Cycle Engn Labs, Tokai, Ibaraki 3191194, Japan

来源：

JOURNAL OF NUCLEAR MATERIALS | 2013年 / 440卷 / 1-3期

关键词：

URANIUM-DIOXIDE; UO2; (U; REDISTRIBUTION; EQUILIBRIUM; SIMULATIONS;

D O I：

10.1016/j.jnucmat.2013.04.019

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The thermal conductivities of UO2+x, (U-0.8,Pu-0.2)O2-x and UO2 (induced Schottky defects) have been investigated by non-equilibrium molecular dynamics (NEMD) simulation from the viewpoints of the oxygen-to-metal ratio (O/M ratio), temperature, and point defect concentration. In the NEMD simulation, the thermal conductivity was determined by the temperature gradient and heat flux using Fourier's law. The calculated thermal conductivity decreased with increasing temperature and defect concentration i.e. excess oxygen and oxygen vacancy concentrations. The calculated thermal conductivity decreased with increase of the deviation x from stoichiometry and number of defects. By comparing the hyperstoichiometric and hypostoichiometriC oxides, it was found that the effect of Pu3+ and oxygen vacancy on the thermal conductivity was larger than that of U5+ and excess oxygen. Further, the cuboctahedral defect clusters were observed in the hyperstoichiometric UO2+x supercell. (C) 2013 Elsevier B.V. All rights reserved.

引用

页码：580 / 585

页数：6

共 36 条

[1] LATTICE THERMAL CONDUCTIVITY OF DISORDERED SEMICONDUCTOR ALLOYS AT HIGH TEMPERATURES [J].

ABELES, B .

PHYSICAL REVIEW, 1963, 131 (05) :1906-&

[2]

Amaya M, 1996, J NUCL SCI TECHNOL, V33, P636, DOI [10.3327/jnst.33.636, 10.1080/18811248.1996.9731970]

[3]

AMBEGAOKAR V, 1966, T AM NUCL SOC, V9, P488

[4]

[Anonymous], 1976, FUNDAMENTAL ASPECTS

[5] Evaluation of thermal properties of UO2 and PuO2 by equilibrium molecular dynamics simulations from 300 to 2000 K [J].

Arima, T ;

Yamasaki, S ;

Inagaki, Y ;

Idemitsu, K .

JOURNAL OF ALLOYS AND COMPOUNDS, 2005, 400 (1-2) :43-50

[6] Molecular dynamics analysis of diffusion of uranium and oxygen ions in uranium dioxide [J].

Arima, T. ;

Yoshida, K. ;

Idemitsu, K. ;

Inagaki, Y. ;

Sato, I. .

ACTINIDES 2009, 2010, 9

[7] Equilibrium and nonequilibrium molecular dynamics simulations of heat conduction in uranium oxide and mixed uranium-plutonium oxide [J].

Arima, Tatsumi ;

Yamasaki, Sho ;

Idemitsu, Kazuya ;

Inagaki, Yaohiro .

JOURNAL OF NUCLEAR MATERIALS, 2008, 376 (02) :139-145

[8] Evaluation of thermal conductivity of hypostoichiometric (U, Pu)O2-x solid solution by molecular dynamics simulation at temperatures up to 2000 K [J].

Arima, Tatsumi ;

Yamasaki, Sho ;

Inagaki, Yaohiro ;

Idemitsu, Kazuya .

JOURNAL OF ALLOYS AND COMPOUNDS, 2006, 415 (1-2) :43-50

[9] Evaluation of melting point of UO2 by molecular dynamics simulation [J].

Arima, Tatsumi ;

Idemitsu, Kazuya ;

Inagaki, Yaohiro ;

Tsujita, Yuichi ;

Kinoshita, Motoyasu ;

Yakub, Eugene .

JOURNAL OF NUCLEAR MATERIALS, 2009, 389 (01) :149-154

[10] PLUTONIUM REDISTRIBUTION IN FAST-REACTOR MIXED-OXIDE FUEL PINS [J].

BOBER, M ;

SCHUMACHER, G ;

GEITHOFF, D .

JOURNAL OF NUCLEAR MATERIALS, 1973, 47 (02) :187-197

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