3 0 0 0 OA 粉末回折データのMEM解析・三次元可視化用ソフトウェアの開発
- 著者
- 河村 幸彦 門馬 綱一 泉 富士夫
- 出版者
- 日本中性子科学会
- 雑誌
- 波紋 (ISSN:1349046X)
- 巻号頁・発行日
- vol.23, no.1, pp.66-71, 2013 (Released:2018-11-14)
- 参考文献数
- 29
Free programs for the maximum-entropy method (MEM) and three-dimensional visualization are introduced with emphasis on their applications to TOF neutron powder diffraction data. The importance of correcting for thermal diffuse scattering is stressed to improving the accuracy of results obtained by powder diffraction.
1 0 0 0 OA COハイドレートにおけるゲスト分子の不規則配置
- 著者
- 河村 幸彦 泉 富士夫
- 出版者
- 日本中性子科学会
- 雑誌
- 波紋 (ISSN:1349046X)
- 巻号頁・発行日
- vol.25, no.1, pp.22-25, 2015 (Released:2018-11-14)
- 参考文献数
- 18
CO molecules taken up in clathrate hydrates with structures I and II show highly disordered arrangements, which are hard to analyze by classical methods for structure refinement adopting split-atom models. Rietveld refinements followed by maximum entropy method analyses from TOF neutron powder diffraction data of CO clathrate hydrates made it possible to visualize doughnut- and die-like distributions of CO molecules in 512 and 51264 cages, respectively.