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

基本信息

  • 批准号:
    19360422
  • 负责人:
  • 金额:
    $ 12.56万
  • 依托单位:
  • 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

项目摘要

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.
采用^<17>O-NMR实验和第一性原理计算,分析了含氧空位的非化学计量型氧化钚的微观电子态。利用上述结果计算了非化学计量钚氧化物的氧势。计算结果与实验数据吻合较好。本文首次报道了用第一性原理计算氧势的评价方法。

项目成果

期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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:
  • 影响因子:
    3.1
  • 作者:
    S. Minamoto;Masato Kato;K. Konashi;Y. Kawazoe
  • 通讯作者:
    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
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
  • DOI:
  • 发表时间:
    2009
  • 期刊:
  • 影响因子:
    0
  • 作者:
    S. Minamoto;M. Kato;K. Konashi
  • 通讯作者:
    K. Konashi
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KONASHI Kenji其他文献

KONASHI Kenji的其他文献

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{{ truncateString('KONASHI Kenji', 18)}}的其他基金

Study of mechanistic model of nonstoichiometric nuclear fuel based on oxygen defect
基于氧缺陷的非化学计量核燃料机理模型研究
  • 批准号:
    24360389
  • 财政年份:
    2012
  • 资助金额:
    $ 12.56万
  • 项目类别:
    Grant-in-Aid for Scientific Research (B)
DEVELOPMENT OF ACTINIDE-HYDRIDE FUEL
锕系氢化物燃料的开发
  • 批准号:
    11680510
  • 财政年份:
    1999
  • 资助金额:
    $ 12.56万
  • 项目类别:
    Grant-in-Aid for Scientific Research (C)

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