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Gas element-vacancy complexes investigated by electron momentum distribution analysis using a combination of positron annihilation and first-principles calculations

Research Project

Project/Area Number 20K03902
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 14020:Nuclear fusion-related
Research InstitutionKyoto University

Principal Investigator

Yabuuchi Atsushi  京都大学, 複合原子力科学研究所, 助教 (90551367)

Project Period (FY) 2020-04-01 – 2023-03-31
Project Status Completed (Fiscal Year 2022)
Budget Amount *help
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2022: ¥130,000 (Direct Cost: ¥100,000、Indirect Cost: ¥30,000)
Fiscal Year 2021: ¥520,000 (Direct Cost: ¥400,000、Indirect Cost: ¥120,000)
Fiscal Year 2020: ¥3,640,000 (Direct Cost: ¥2,800,000、Indirect Cost: ¥840,000)
Keywords陽電子寿命 / 消滅ガンマ線ドップラー広がり / 電子運動量分布 / 第一原理計算 / 原子空孔 / 欠陥複合体 / 陽電子消滅 / 電子運動量
Outline of Research at the Start

タングステン結晶中の原子空孔(原子の抜けた孔)では、多くの研究において理論計算で予想されている陽電子寿命値に比べ20-30 ps程度短い実験値が報告されている。これは実験で観察している原子空孔には不純物ガス元素が結合していることを示唆している。本研究では陽電子捕獲サイトの空隙サイズを反映する陽電子寿命法に加え、陽電子捕獲サイト周囲の元素の違いを反映する消滅ガンマ線ドップラー広がり法を用いる。ドップラー広がりスペクトルの実験値と計算値を比較することで欠陥構造を同定し、タングステン結晶中の原子空孔で見られる陽電子寿命の実験値と計算値とのズレの原因を明らかにする。

Outline of Final Research Achievements

The change in the positron lifetime of defect complexes (VXk) with multiple interstitial impurity atoms (X=H, C, N, O) bound with a vacancy in tungsten was investigated using first-principles calculations. It was found that the VH2, VC1, VN1, and VO1 complexes all exhibit a positron lifetime of around 170 ps. The Doppler broadening of the annihilation radiation spectra of these defect complexes was also calculated. It was shown that a shoulder appears around 16 mrad of electron momentum in the spectra of all defect complexes, making it difficult to distinguish the defect species. It was concluded that a combination of observation of the annealing behavior of defect complexes and calculation of the binding energy between vacancy and impurities is necessary to identify the species of these defect complexes.

Academic Significance and Societal Importance of the Research Achievements

核融合炉のプラズマ対向壁材料として期待されているタングステン中の原子空孔と侵入型不純物原子との相互作用、および不純物原子の空孔への結合が陽電子寿命や陽電子消滅ガンマ線ドップラー広がりに与える影響について第一原理計算を用いて調べた。タングステン中のそのような欠陥の種類を同定するためには欠陥のアニール挙動観察と不純物原子の空孔への結合エネルギー計算の併用が必要であることが示された。

Report

(4 results)
  • 2022 Annual Research Report   Final Research Report ( PDF )
  • 2021 Research-status Report
  • 2020 Research-status Report
  • Research Products

    (38 results)

All 2023 2022 2021 2020

All Journal Article (11 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 11 results,  Open Access: 5 results) Presentation (27 results) (of which Int'l Joint Research: 6 results,  Invited: 3 results)

  • [Journal Article] Inverse change in positron lifetimes of vacancies in tungsten by binding of interstitial impurity atoms to a vacancy: A first-principles study2023

    • Author(s)
      Yabuuchi Atsushi
    • Journal Title

      Nuclear Materials and Energy

      Volume: 34 Pages: 101364-101364

    • DOI

      10.1016/j.nme.2023.101364

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Investigation of defect states in light-irradiated single-crystal ZnO by low-temperature positron annihilation lifetime spectroscopy2022

    • Author(s)
      Nakajima Makoto、Kinomura Atsushi、Yabuuchi Atsushi、Kuriyama Kazuo
    • Journal Title

      Japanese Journal of Applied Physics

      Volume: 61 Issue: 10 Pages: 100905-100905

    • DOI

      10.35848/1347-4065/ac9103

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Effect of neutron-photon converter materials (Cd, Gd, and Sm) on the positron production in a reactor-based slow positron beamline2022

    • Author(s)
      Yabuuchi Atsushi
    • Journal Title

      Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms

      Volume: 513 Pages: 44-49

    • DOI

      10.1016/j.nimb.2021.12.008

    • Related Report
      2021 Research-status Report
    • Peer Reviewed
  • [Journal Article] Vacancy migration energies in CrMnFeCoNi, CrFeCoNi, and CrFeNi alloys and their effect on atomic diffusion2022

    • Author(s)
      Sugita Kazuki、Ogawa Ryusei、Mizuno Masataka、Araki Hideki、Yabuuchi Atsushi
    • Journal Title

      Scripta Materialia

      Volume: 208 Pages: 114339-114339

    • DOI

      10.1016/j.scriptamat.2021.114339

    • Related Report
      2021 Research-status Report
    • Peer Reviewed
  • [Journal Article] Experimental plan for displacement damage cross sections using 120-GeV protons at Fermi National Accelerator Laboratory2022

    • Author(s)
      Yosuke IWAMOTO, Makoto YOSHIDA, Shin-ichiro MEIGO, Katsuya YONEHARA, Taku ISHIDA, Keita NAKANO, Shin-ichiro ABE, Hiroki IWAMOTO, T. SPINA, K. AMMIGAN, N. MOKHOV, Atsushi YABUUCHI, and Toshimasa YOSHIIE
    • Journal Title

      JAEA-Conf

      Volume: 2021-001 Pages: 138-143

    • Related Report
      2021 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Change in the Positron Annihilation Lifetime of Vacancy Clusters Containing Hydrogen Atoms in Electron-Irradiated F82H2021

    • Author(s)
      Sato Koichi, Kondo Yohei, Ohta Masakiyo, Xu Qiu, Yabuuchi Atsushi, Kinomura Atsushi, Onoue Masahira, Onitsuka Takash,i Hatakeyama Masahiko, Iwakiri Hirotomo, Kato Daiji, Watanabe Yoshiyuki, Tanigawa Hiroyasu
    • Journal Title

      Materials Science Forum

      Volume: 1024 Pages: 71-78

    • DOI

      10.4028/www.scientific.net/msf.1024.71

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Measurements of Displacement Cross Section of Tungsten under 389-MeV Proton Irradiation and Thermal Damage Recovery2021

    • Author(s)
      Iwamoto Yosuke、Yoshida Makoto、Matsuda Hiroki、Meigo Shin Ichiro、Satoh Daiki、Yashima Hiroshi、Yabuuchi Atsushi、Shima Tatsushi
    • Journal Title

      Materials Science Forum

      Volume: 1024 Pages: 95-101

    • DOI

      10.4028/www.scientific.net/msf.1024.95

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Short positron lifetime at vacancies observed in electron-irradiated tungsten: Experiments and first-principles calculations2020

    • Author(s)
      Yabuuchi A.、Tanaka M.、Kinomura A.
    • Journal Title

      Journal of Nuclear Materials

      Volume: 542 Pages: 152473-152473

    • DOI

      10.1016/j.jnucmat.2020.152473

    • Related Report
      2020 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Characterization of the effect of ion irradiation on industrially produced GdBa2Cu3O7?δ superconducting tapes using a slow positron beam2020

    • Author(s)
      Yabuuchi Atsushi、Ozaki Toshinori、Sakane Hitoshi、Okazaki Hiroyuki、Koshikawa Hiroshi、Yamamoto Shunya、Yamaki Tetsuya
    • Journal Title

      Applied Physics Express

      Volume: 13 Issue: 12 Pages: 123004-123004

    • DOI

      10.35848/1882-0786/abcd72

    • Related Report
      2020 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Measurement of Defect-induced Electrical Resistivity Change of Tungsten Wire at Cryogenic Temperature Using High-energy Proton Irradiation2020

    • Author(s)
      Iwamoto Yosuke、Yoshida Makoto、Matsuda Hiroki、Meigo Shin-ichiro、Satoh Daiki、Yashima Hiroshi、Yabuuchi Atsushi、Kinomura Atsushi、Shima Tatsushi
    • Journal Title

      JPS Conf. Proc.

      Volume: 28 Pages: 1-5

    • DOI

      10.7566/jpscp.28.061003

    • Related Report
      2020 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Reduction of background radiation effects for positron lifetime measurements in the slow positron beamline at the Kyoto University Research Reactor2020

    • Author(s)
      Nakajima M.、Taguchi R.、Yabuuchi A.、Kinomura A.
    • Journal Title

      Review of Scientific Instruments

      Volume: 91 Issue: 12 Pages: 125109-125109

    • DOI

      10.1063/5.0013891

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Presentation] 陽電子ビームパルス化システムの荷電粒子軌道計算コードによる評価2022

    • Author(s)
      木野村淳、村上亮、薮内敦、Brian E. O’Rourke
    • Organizer
      第59回アイソトープ・放射線研究発表会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Investigation of Free Volume in Diamond-like Carbon Films Using a Slow Positron Beam2022

    • Author(s)
      Kazuhiro Kanda, Tomohiro Mishima, Hiroki Akasaka, Fuminobu Hori, Atsushi Yabuuchi, and Atsushi Kinomura
    • Organizer
      15th International Conference on New Diamond and Nano Carbon 2022
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 熱処理したa-C:H膜の陽電子消滅測定2022

    • Author(s)
      中尾節男、木野村淳、薮内敦、鈴木耕拓
    • Organizer
      第83回応用物理学会秋季学術講演会
    • Related Report
      2022 Annual Research Report
  • [Presentation] Doping Effect of Re, Mo, Ta on irradiation-induced defects in W2022

    • Author(s)
      T. Toyama, K. Inoue, Y. Hatano, A. Yabuuchi, A. Kinomura, Y. Oya, T. Suzudo, Y. Nagai
    • Organizer
      19th International Conference on Positron Annihilation
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Slow-positron beam analysis of fracture surfaces of hydrogen-charged Ni-20Cr alloy2022

    • Author(s)
      A. Kinomura, A. Yabuuchi, K. Tomatsu, and T. Omura
    • Organizer
      19th International Conference on Positron Annihilation
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 低速陽電子ビームによる水素添加Ni-Cr合金の粒界破面直下の格子欠陥分析2022

    • Author(s)
      富松宏太、大村朋彦、木野村淳、薮内敦
    • Organizer
      日本鉄鋼協会第184回秋季講演大会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 陽電子消滅法を用いた金属材料中の原子空孔の非破壊評価2022

    • Author(s)
      薮内敦
    • Organizer
      大阪ニュークリアサイエンス協会 第77回放射線科学研究会
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] タングステン中の空孔と侵入型不純物原子が結合した欠陥複合体の第一原理計算2021

    • Author(s)
      薮内敦
    • Organizer
      第58回アイソトープ・放射線研究発表会
    • Related Report
      2021 Research-status Report
  • [Presentation] 陽電子による原子空孔挙動解明と原子炉ベースの陽電子ビーム開発2021

    • Author(s)
      薮内敦
    • Organizer
      令和3年度京大複合研専門研究会「陽電子科学とその理工学への応用」
    • Related Report
      2021 Research-status Report
    • Invited
  • [Presentation] 水素脱離による水素化DLC膜中の自由体積の変化2021

    • Author(s)
      神田一浩、三嶋友博、丹羽大輔、堀史説、薮内敦、木野村淳
    • Organizer
      令和3年度京大複合研専門研究会「陽電子科学とその理工学への応用」
    • Related Report
      2021 Research-status Report
  • [Presentation] CrMnFeCoNi, CrFeCoNi, CrFeNi 等モル固溶体合金の空孔形成エネルギー2021

    • Author(s)
      後藤拓巳、松岡直希、小川竜生、杉田一樹、水野正隆、薮内敦、木野村淳、荒木秀樹
    • Organizer
      令和3年度京大複合研専門研究会「陽電子科学とその理工学への応用」
    • Related Report
      2021 Research-status Report
  • [Presentation] Flux pinning engineering by low-energy heavy ion irradiation for GdBa2Cu3Oy coated conductors2021

    • Author(s)
      Toshinori Ozaki, Itsuhiro Kakeya, Tatsunori Okada, Satoshi Awaji, Satoshi Semboshi, Hiroyuki Okazaki, Hiroshi Koshikawa, Shunya Yamamoto, Tetsuya Yamaki, Atsushi Yabuuchi, Tetsuro Sueyoshi, and Hitoshi Sakane
    • Organizer
      virtual 2021 joint 23rd Cryogenic Engineering Conference and International Cryogenic Materials Conference (CEC/ICMC 2021)
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Characterization of the effect of low-energy Au-ion irradiation on GdBa2Cu3Oy superconducting tape using a slow positron beam2021

    • Author(s)
      Toshinori Ozaki, Atsushi Yabuuchi, Hitoshi Sakane, Hiroyuki Okazaki, Hiroshi Koshikawa, Shunya Yamamto, Tetsuya Yamaki
    • Organizer
      MATERIALS RESEARCH MEETING 2021 (MRM2021)
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] 低エネルギー陽電子線・軟X線放射光を用いたDLC膜の構造解析2021

    • Author(s)
      神田一浩、赤坂大樹、堀史説、薮内敦、木野村淳
    • Organizer
      第82回応用物理学会秋季学術講演会
    • Related Report
      2021 Research-status Report
  • [Presentation] 軟X線照射による水素化DLC膜の構造変化2021

    • Author(s)
      丹羽大輔、三嶋友博、寺井響、中西康次、新部正人、神田一浩、堀史説、薮内敦、木野村淳
    • Organizer
      第69回応用物理学会春季学術講演会
    • Related Report
      2021 Research-status Report
  • [Presentation] 熱処理による水素化DLC膜の構造変化2021

    • Author(s)
      三嶋友博、寺井響、中西康次、新部正人、神田一浩、福室直樹、竹内雅耶、堀史説、薮内敦、木野村淳
    • Organizer
      第69回応用物理学会春季学術講演会
    • Related Report
      2021 Research-status Report
  • [Presentation] Totally-viewed structural analysis on DLC films using low energy positron beam, soft x-ray beam and high energy ion beam2021

    • Author(s)
      K. Kanda, M. Niibe, H. Akasaka, T. Suzuki, F. Hori, A. Yabuuchi, A. Kinomura
    • Organizer
      The International Chemical Congress of Pacific Basin Societies 2021 (Pacifichem 2021)
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] 原子炉ベース低速陽電子ビームラインにおけるGd-capの利用の検討2021

    • Author(s)
      薮内 敦
    • Organizer
      日本物理学会第76回年次大会
    • Related Report
      2020 Research-status Report
  • [Presentation] 陽電子消滅法で調べた電子線照射W合金中の空孔型欠陥形成に対するRe添加効果2021

    • Author(s)
      外山 健、Zhao Can、井上 耕治、永井 康介、波多野 雄治、薮内 敦、木野村 淳、鈴土 知明
    • Organizer
      日本金属学会2021年春期(第168回)講演大会
    • Related Report
      2020 Research-status Report
  • [Presentation] イオン照射GdBa2Cu3O7-δ超伝導テープ線材の低速陽電子ビームによる評価2020

    • Author(s)
      薮内 敦,木野村 淳,尾崎 壽紀,坂根 仁,岡崎 宏之,越川 博,山本 春也,八巻 徹也
    • Organizer
      第81回応用物理学会秋季学術講演会
    • Related Report
      2020 Research-status Report
  • [Presentation] 量産GdBa2Cu3O7-δ超伝導テープ線材へのイオン照射によるSパラメータ低下2020

    • Author(s)
      薮内 敦,尾崎 壽紀,坂根 仁,岡崎 宏之,越川 博,山本 春也,八巻 徹也
    • Organizer
      令和2年度京都大学複合原子力科学研究所専門研究会「陽電子科学とその理工学への応用」
    • Related Report
      2020 Research-status Report
  • [Presentation] 陽電子消滅寿命法と電子スピン共鳴による電子線照射されたZnO中空孔型欠陥の可視光応答観測2020

    • Author(s)
      中島 諒,木野村 淳,薮内 敦,栗山 一男
    • Organizer
      第81回応用物理学会秋季学術講演会
    • Related Report
      2020 Research-status Report
  • [Presentation] 電子線照射されたW-X合金(X=Mo, Ta, Re)中の照射欠陥2020

    • Author(s)
      外山健、Zhao Can、井上耕治、永井康介、波多野雄治、薮内敦、木野村淳
    • Organizer
      日本金属学会秋季(第167回)講演大会
    • Related Report
      2020 Research-status Report
  • [Presentation] タングステン中の空孔クラスターの成長に対する不純物の影響2020

    • Author(s)
      大沢一人、薮内敦、外山健、渡邊英雄
    • Organizer
      日本金属学会秋季(第167回)講演大会
    • Related Report
      2020 Research-status Report
  • [Presentation] 電子線照射されたW合金中の照射欠陥2020

    • Author(s)
      外山 健、Zhao Can、井上 耕治、永井 康介、波多野 雄治、薮内 敦、木野村 淳
    • Organizer
      令和2年度京都大学複合原子力科学研究所専門研究会「陽電子科学とその理工学への応用」
    • Related Report
      2020 Research-status Report
  • [Presentation] 金属材料における水素を捕獲した照射欠陥の陽電子寿命値の変化2020

    • Author(s)
      佐藤紘一、平原雅史、Qiu Xu、薮内敦、木野村淳
    • Organizer
      令和2年度京都大学複合原子力科学研究所専門研究会「陽電子科学とその理工学への応用」
    • Related Report
      2020 Research-status Report
  • [Presentation] CoCrFeMnNi高エントロピー合金における空孔移動エネルギーの推定2020

    • Author(s)
      小川竜生、杉田一樹、水野正隆、薮内敦、木野村淳、荒木秀樹
    • Organizer
      令和2年度京都大学複合原子力科学研究所専門研究会「陽電子科学とその理工学への応用」
    • Related Report
      2020 Research-status Report

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Published: 2020-04-28   Modified: 2024-01-30  

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