Modification of UO2 crystal morphologies through hydroxylation

被引：32

作者：

Abramowski, M

Redfern, SE

Grimes, RW

Owens, S

机构：

[1] Univ London Imperial Coll Sci Technol & Med, Dept Mat Sci, London SW7 2BP, England

[2] Los Alamos Natl Lab, Los Alamos, NM 87545 USA

[3] BNFL, Res & Technol, Warrington WA3 6AS, Cheshire, England

来源：

SURFACE SCIENCE | 2001年 / 490卷 / 03期

基金：

英国工程与自然科学研究理事会;

关键词：

computer simulations; surface structure; morphology; roughness and topography; uranium oxide; single crystal surfaces; surface defects;

D O I：

10.1016/S0039-6028(01)01368-1

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Atomic scale computer simulation is used to predict the surface energies Of UO2, subject to different hydroxide coverages. It was found that the {111} surface dominates dry UO2, resulting in an octahedral morphology. However, the {100} surfaces were strongly stabilized by hydroxylation relative to the {111} surfaces. Consequently, even a modest hydroxylation of 30% substantially truncates the octahedron crystal morphology, and a fully cubic morphology is predicted at 80% hydroxide coverage. (C) 2001 Elsevier Science B.V. All rights reserved.

引用

页码：415 / 420

页数：6

共 13 条

[1] Morphology of UO2 [J].