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

• Project/Area Number: 19360422
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Nuclear engineering
• Research Institution: Tohoku University
• Principal Investigator: KONASHI Kenji Tohoku University, 金属材料研究所, 准教授 (10250812)
• Co-Investigator(Kenkyū-buntansha): 田中 健哉 独立行政法人日本原子力研究開発機構, 大洗研究開発センター, 課長 (60421781) ; 逢坂 正彦 独立行政法人日本原子力研究開発機構, 大洗研究開発センター, 研究員 (10421471) ; 三輪 周平 独立行政法人日本原子力研究開発機構, 大洗研究開発センター, 研究員 (50421780) ; 神戸 振作 独立行政法人日本原子力研究開発機構, 先端基礎研究センター, 研究主幹 (40224886) ; 本間 佳哉 東北大学, 金属材料研究所, 助教 (00260448)
• Co-Investigator(Renkei-kenkyūsha): TANAKA Kenya 独立行政法人日本原子力研究開発機構, 大洗研究開発センター, 課長 (60421781) ; OSAKA Masahiko 独立行政法人日本原子力研究開発機構, 大洗研究開発センター, 研究員 (10421471) ; MIWA Shuhei 独立行政法人日本原子力研究開発機構, 大洗研究開発センター, 研究員 (50421780) ; KAMBE Shinsaku 独立行政法人日本原子力研究開発機構, 先端基礎研究センター, 研究主幹 (40224886) ; HONMA Yoshiya 東北大学, 金属材料研究所, 助教 (00260448)
• Project Period (FY): 2007 – 2009
• Project Status: Completed (Fiscal Year 2009)
• Budget Amount: ¥19,630,000 (Direct Cost: ¥15,100,000、Indirect Cost: ¥4,530,000); Fiscal Year 2009: ¥5,460,000 (Direct Cost: ¥4,200,000、Indirect Cost: ¥1,260,000); Fiscal Year 2008: ¥5,460,000 (Direct Cost: ¥4,200,000、Indirect Cost: ¥1,260,000); Fiscal Year 2007: ¥8,710,000 (Direct Cost: ¥6,700,000、Indirect Cost: ¥2,010,000)
• Keywords: 原子力エネルギー / 物性実験

Research Abstract

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.

Research Products

• [Journal Article] Basic actinide chemistry and physics research in close cooperation with hot laboratories : ACTILAB (2010)
  • Author(s): K, Minato, K. Konashi, T. Fujii, A. Uehara, S. Nagasaki, N. Ohtori, Y. Tokunaga, S. Kambe
  • Journal Title: Materials Science and Engineering (in press)
• [Journal Article] Calculations of thermodynamic properties of PuO2 by the first-principles and lattice vibration (2009)
  • Author(s): S. Minamoto, M. Kato, K. Konashi, Y. Kawazoe
  • Journal Title: J.Nucl.Mat. 385 Pages: 18-20
• [Journal Article] Calculations of thermodynamic properties of PuO2 by the first-principles and lattice vibration (2009)
  • Author(s): Minamoto, M.Kato, K.Konashi, Y.Kawazoe
  • Journal Title: J.Nucl.Mater. 385 Pages: 18-20
  • Peer Reviewed
• [Presentation] Study of phase equilibrium of Pu2O3-PuO2 system by the first-principles calculation and CALPHAD approach (2009)
  • Author(s): S. Minamoto, M. Kato, K. Konashi
  • Organizer: proceeding of Actinides 2009
  • Place of Presentation: San Francisco, CA, USA