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

[11] THERMAL-CONDUCTIVITY AND THERMAL-RADIATION PROPERTIES OF UO2 [J].

BRANDT, R ;

NEUER, G .

JOURNAL OF NON-EQUILIBRIUM THERMODYNAMICS, 1976, 1 (01) :3-23

[12] Refinement of the structure of β-U4O9 [J].

Cooper, RI ;

Willis, BTM .

ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2004, 60 :322-325

[13] Thermal conductivity of zirconia based inert matrix fuel: use and abuse of the formal models for testing new experimental data [J].

Degueldre, C ;

Arima, T ;

Lee, YW .

JOURNAL OF NUCLEAR MATERIALS, 2003, 319 :6-14

[14]

Draghi C.N., 2003, MOL PHYS, V101, P2302

[15] Thermal conductivity of hypostoichiometric low Pu content (U,Pu)O2-x mixed oxide [J].

Duriez, C ;

Alessandri, JP ;

Gervais, T ;

Philipponneau, Y .

JOURNAL OF NUCLEAR MATERIALS, 2000, 277 (2-3) :143-158

[16]

Evans D., 1990, STAT MECH NONEQUILIB

[17] Thermophysical properties of uranium dioxide [J].

Fink, JK .

JOURNAL OF NUCLEAR MATERIALS, 2000, 279 (01) :1-18

[18] THERMAL-CONDUCTIVITY OF NEAR-STOICHIOMETRIC (U,PU,ND)O2 AND (U,PU,EU)O2 SOLID-SOLUTIONS [J].

FUKUSHIMA, S ;

OHMICHI, T ;

MAEDA, A ;

HANDA, M .

JOURNAL OF NUCLEAR MATERIALS, 1983, 116 (2-3) :287-296

[19] Cuboctahedral oxygen clusters in U3O7 [J].

Garrido, F ;

Ibberson, RM ;

Nowicki, L ;

Willis, BTM .

JOURNAL OF NUCLEAR MATERIALS, 2003, 322 (01) :87-89

[20] Stability mechanism of cuboctahedral clusters in UO2+x:: First-principles calculations [J].

Geng, Hua Y. ;

Chen, Ying ;

Kaneta, Yasunori ;

Kinoshita, Motoyasu .

PHYSICAL REVIEW B, 2008, 77 (18)

← 1 2 3 4 →