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题名:
Transmutation of ABO(4) compounds incorporating technetium-99 and caesium-137
作者: Kuo, EY; Qin, MJ; Thorogood, GJ; Huai, P; Ren, CL; Lumpkin, GR; Middleburgh, SC
刊名: MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
出版日期: 2017
卷号: 25, 期号:2, 页码:-
关键词: ABO(4) minerals ; transmutation ; technetium ; caesium ; density functional theory
DOI: 10.1088/1361-651X/aa5402
文章类型: 期刊论文
英文摘要: The stability of a series of ABO(4) minerals incorporating radioactive Tc-99 during the latter's beta-decay to Ru-99 was investigated theoretically using density functional theory (DFT) computations. The compounds investigated were KTcO4, RbTcO4 and CsTcO4. The stability of the latter, CsTcO4, during transmutation, when the caesium consists of the radioactive isotope Cs-137, was also investigated. For each of the compounds, two similar possible crystal structure types-scheelite and pseudoscheelite-were considered. As the Tc-99 decays, or the Cs-137 decays to Ba-137, reaction enthalpies were calculated for possible decompositions or precipitations of the transmuting compounds. All the possible decompositions or precipitations investigated had positive reaction enthalpies, suggesting that the transmuting compounds are all chemically stable. Volume and lattice parameter changes, however, suggest that KTcO4 would also be structurally stable during transmutation to KRuO4, but that CsTcO4 would not be structurally stable during its transmutation to BaRuO4.
收录类别: SCI
语种: 英语
WOS记录号: WOS:000393962700001
ISSN号: 0965-0393
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.sinap.ac.cn/handle/331007/27488
Appears in Collections:中科院上海应用物理研究所2011-2017年_期刊论文

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Recommended Citation:
Kuo, EY,Qin, MJ,Thorogood, GJ,et al. Transmutation of ABO(4) compounds incorporating technetium-99 and caesium-137[J]. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING,2017-01-01,25(2):-.
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