Study of microscopic electron state of non-stoichiometric plutonium oxide including oxygen vacancy

含氧空位的非化学计量氧化钚微观电子态研究

• 批准号: 19360422
• 负责人: KONASHI Kenji
• 金额: $ 12.56万
• 依托单位: Tohoku University
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Scientific Research (B)
• 财政年份: 2007
• 资助国家: 日本
• 起止时间: 2007 至 2009
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-19360422/
• 关键词: 原子力エネルギー; 物性実験

Microscopic electron state of non-stoichiometric plutonium oxide including oxygen vacancy was analyzed by experiments of ^<17>O-NMR and the first principles calculations. Oxygen potentials of non-stoichiometric plutonium oxides were also calculated by using the above results. The calculation results are in good agreement with the experimental data. This is the first report of the evaluation method of oxygen potential using the first principles calculations.

通过 ^<17> o-NMR的实验和第一原理计算，分析了包括氧空位的非化学计量p的微观电子状态。还通过使用上述结果来计算非化学计量p的氧气的氧气电位。计算结果与实验数据非常吻合。这是使用第一原理计算的评估方法的第一个报告。

项目成果

Calculations of thermodynamic properties of PuO2 by the first-principles and lattice vibration

• DOI: 10.1016/j.jnucmat.2008.10.024
• 发表时间: 2009-03
• 期刊: Journal of Nuclear Materials
• 影响因子: 3.1
• 作者: S. Minamoto;Masato Kato;K. Konashi;Y. Kawazoe

Basic actinide chemistry and physics research in close cooperation with hot laboratories : ACTILAB

与热门实验室密切合作进行基础锕系化学和物理研究：ACTILAB

• 发表时间: 2010
• 期刊: IOP Conf.Series : Materials Science and Engineering
• 作者: K.Minato;K.Konashi;T.Fujii;A.Uehara;S.Nagasaki;N.Ohtori;Y.Tokunaga;S.Kambe
• 通讯作者: S.Kambe

Study of phase equilibrium of Pu2O3-PuO2 system by the first-principles calculation and CALPHAD approach

第一性原理计算和CALPHAD方法研究Pu2O3-PuO2体系的相平衡

• 发表时间: 2009
• 作者: S. Minamoto;M. Kato;K. Konashi
• 通讯作者: K. Konashi