Key Role of the Cation Interstitial Structure in the Radiation Resistance of Pyrochlores

被引：68

作者：

Chartier, Alain ^{[1
]}

Catillon, Gilles ^{[2
]}

Crocombette, Jean-Paul ^{[3
]}

机构：

[1] CEA Saclay, SCP, F-91191 Gif Sur Yvette, France

[2] Univ Paris Est, EA 4119, G2I, F-77454 Marne La Vallee 2, France

[3] CEA Saclay, SRMP, F-91191 Gif Sur Yvette, France

来源：

PHYSICAL REVIEW LETTERS | 2009年 / 102卷 / 15期

关键词：

K-EDGE XANES; INDUCED AMORPHIZATION; MOLECULAR-DYNAMICS; WASTE FORM; TOLERANCE; SIMULATION; PLUTONIUM; DAMAGE;

D O I：

10.1103/PhysRevLett.102.155503

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The annealing of the B cation interstitial is shown to drive the thermokinetic of the response to irradiations of A(2)B(2)O(7) pyrochlores. Molecular dynamics simulations evidenced that the annealing of interstitials created by irradiations depends upon the nature of B. As the coordination number of B decreases, the dumbbell interstitial is stabilized at the expense of the isolated interstitial. Unlike the isolated interstitials, the recombination of the dumbbells is thermally activated and hindered at low temperatures. The occurrence of dumbbells drives the structure towards the amorphous state.

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页数：4

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