On the solution and migration of single Xe atoms in uranium dioxide - An interatomic potentials study

被引：40

作者：

Govers, K. ^{[1
]}

Lemehov, S. E. ^{[1
]}

Verwerft, M. ^{[1
]}

机构：

[1] Belgian Nucl Res Ctr SCK CEN, Inst Nucl Mat Sci, B-2400 Mol, Belgium

来源：

JOURNAL OF NUCLEAR MATERIALS | 2010年 / 405卷 / 03期

关键词：

MOLECULAR-DYNAMICS SIMULATION; INTRAGRANULAR FISSION-GAS; PART I; DIFFUSION; UO2; BEHAVIOR; OXYGEN; IRRADIATION; DEFECTS; GROWTH;

D O I：

10.1016/j.jnucmat.2010.08.013

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Atomic scale simulation techniques based on empirical potentials have been considered in the present work to get insight on the behaviour of single Xe atoms in the uranium dioxide matrix In view of the high activation energies commonly observed for Xe migration this work has focused on the so-called static calculations (i e energy minimization based calculation) of incorporation and migration energies of Xe in UO2 using empirical interatomic potentials to describe atom interactions A detailed study of these results enables to determine the solution and the migration properties of Xe in the different stoichiometry regimes and can be applied as well for the In-pile behaviour of xenon (C) 2010 Elsevier B V All rights reserved

引用

页码：252 / 260

页数：9

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