Effect of fission Xe on diffusion of oxygen and uranium in UO2: a molecular dynamics study

被引：1

作者：

Deng, B. L. ^{[1
]}

Tian, X. F. ^{[2
]}

Zhai, J. ^{[2
]}

Hu, Y. F. ^{[3
]}

机构：

[1] Chengdu Univ Technol, Dept Appl Phys, Chengdu, Peoples R China

[2] Chengdu Univ Technol, Coll Nucl Technol & Automat Engn, Chengdu, Peoples R China

[3] Sichuan Univ Sci & Engn, Sch Sci, Zigong, Peoples R China

来源：

INDIAN JOURNAL OF PHYSICS | 2014年 / 88卷 / 11期

关键词：

Uranium dioxide; Point defect; Molecular dynamics; Migration energy; Diffusion coefficient; SIMULATION; DIOXIDE; XENON; PRESSURE; FUELS; DEFECTS; BUBBLES; HELIUM; ATOMS;

D O I：

10.1007/s12648-014-0573-8

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We have investigated the effect of fission Xe on diffusion of oxygen and uranium in UO2. Survey of trapping and solution of Xe have been presented. Incorporation and solution energies of Xe for various solution sites have been calculated by Mott-Littleton approach. Results suggest that the most stable trapping site for Xe depends on stoichiometry regions. The effect on diffusion of oxygen and uranium introduced by Xe has been estimated by classical molecular dynamics simulations. It is found that Xe atoms in any trapping site raise the values of oxygen diffusion coefficients and depress activation energies. Besides, the effect introduced by Xe decreases with an increase in trapping site size.

引用

页码：1183 / 1189

页数：7