Transmutation of ABO(4) compounds incorporating technetium-99 and caesium-137
文献类型：期刊论文
| 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 |
| ISSN号 | 0965-0393 |
| DOI | 10.1088/1361-651X/aa5402 |
| 文献子类 | 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. |
| 语种 | 英语 |
| WOS记录号 | WOS:000393962700001 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/27488]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 GB/T 7714 | 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,2017,25(2):-. |
| APA | Kuo, EY.,Qin, MJ.,Thorogood, GJ.,Huai, P.,Ren, CL.,...&Middleburgh, SC.(2017).Transmutation of ABO(4) compounds incorporating technetium-99 and caesium-137.MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING,25(2),-. |
| MLA | Kuo, EY,et al."Transmutation of ABO(4) compounds incorporating technetium-99 and caesium-137".MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 25.2(2017):-. |
入库方式： OAI收割
来源：上海应用物理研究所
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