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Structure and diffusion of boron dissolved in alpha iron: an integrated approach of first-principle calculation and experiment

Research Project

Project/Area Number 26289231
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypePartial Multi-year Fund
Section一般
Research Field Physical properties of metals/Metal-base materials
Research InstitutionOsaka Prefecture University

Principal Investigator

Numakura Hiroshi  大阪府立大学, 工学(系)研究科(研究院), 教授 (40189353)

Co-Investigator(Kenkyū-buntansha) 仲村 龍介  大阪府立大学, 工学(系)研究科(研究院), 准教授 (70396513)
Co-Investigator(Renkei-kenkyūsha) Sekido Nobuaki  東北大学, 大学院工学研究科, 准教授 (10462516)
Nagata Shinji  東北大学, 金属材料研究所, 准教授 (40208012)
Research Collaborator Souissi Maaouia  
Okuno Takeshi  
Ikeda Kentarou  
Hamana Keisuke  
Kitano Yuuto  
Ishimaru Manabu  
Project Period (FY) 2014-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥15,860,000 (Direct Cost: ¥12,200,000、Indirect Cost: ¥3,660,000)
Fiscal Year 2017: ¥5,460,000 (Direct Cost: ¥4,200,000、Indirect Cost: ¥1,260,000)
Fiscal Year 2016: ¥6,370,000 (Direct Cost: ¥4,900,000、Indirect Cost: ¥1,470,000)
Fiscal Year 2015: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Fiscal Year 2014: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Keywords格子欠陥 / 拡散 / 鉄鋼材料 / 計算材料科学 / 金属物性 / 状態図
Outline of Final Research Achievements

By ab initio calculations we showed that the specific strength of the anelastic relaxation due to stress-induced reorientation of B atoms in solution is close to that of C atoms, and the activation energy is 0.67 eV.
In ion-channelling experiments, we successfully observed channelling phenomena with coarse-grained iron samples, and verified that B can be quantitatively detected by (p, alpha) nuclear reaction. In diffusion experiments we have established the method for measuring the concentration profile of B penetrated to iron matrix by secondary ion mass spectrometry. However, we have not yet succeeded in site location nor obtained the diffusion coefficieint. In mechanical relaxation measurements we observed an anelastic relxation effect in a dilute Fe-B alloy, but whether this is the Snoek relaxation is not yet conclusive.

Report

(5 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Annual Research Report
  • 2015 Annual Research Report
  • 2014 Annual Research Report

Research Products

(6 results)

All 2018 2016 Other

All Int'l Joint Research (3 results) Journal Article (1 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 1 results,  Acknowledgement Compliant: 1 results) Presentation (2 results) (of which Int'l Joint Research: 1 results)

  • [Int'l Joint Research] デルフト工科大学(オランダ)

    • Related Report
      2017 Annual Research Report
  • [Int'l Joint Research] デルフト工科大学(オランダ)

    • Related Report
      2016 Annual Research Report
  • [Int'l Joint Research] デルフト工科大学(オランダ)

    • Related Report
      2015 Annual Research Report
  • [Journal Article] Ab initio characterization of B, C, N, and O in bcc iron: Solution and migration energies and elastic strain fields2016

    • Author(s)
      Maaouia Souissi, Ying Chen, Marcel H F Sluiter, Hiroshi Numakura
    • Journal Title

      Computational Materials Science

      Volume: 124 Pages: 249-258

    • DOI

      10.1016/j.commatsci.2016.07.037

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Int'l Joint Research / Acknowledgement Compliant
  • [Presentation] α鉄中のボロンの拡散 ― 長距離拡散測定の試み2018

    • Author(s)
      仲村龍介
    • Organizer
      日本鉄鋼協会「鉄鋼中の軽元素の挙動と材料組織および特性」第6回研究集会
    • Related Report
      2017 Annual Research Report
  • [Presentation] Ab initio evaluation of the enthalpy of solution of light elements in bcc iron2016

    • Author(s)
      M Souissi, Y Chen, M H F Sluiter, H Numakura
    • Organizer
      The 45th International Conference on Computer Coupling of Phase Diagrams and Thermochemistry
    • Place of Presentation
      兵庫県淡路市
    • Year and Date
      2016-05-29
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research

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Published: 2014-04-04   Modified: 2022-02-16  

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