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Elucidation of hydrogen, vacancy, and plastic-strain related fracture phenomena in low-alloy steels by trans-scale analyses

Research Project

Project/Area Number 19H02025
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Review Section Basic Section 18010:Mechanics of materials and materials-related
Research InstitutionKyoto University of Advanced Science

Principal Investigator

Matsumoto Ryosuke  京都先端科学大学, 工学部, 准教授 (80363414)

Co-Investigator(Kenkyū-buntansha) 武富 紳也  佐賀大学, 理工学部, 准教授 (20608096)
Project Period (FY) 2019-04-01 – 2023-03-31
Project Status Completed (Fiscal Year 2022)
Budget Amount *help
¥17,290,000 (Direct Cost: ¥13,300,000、Indirect Cost: ¥3,990,000)
Fiscal Year 2022: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
Fiscal Year 2021: ¥3,120,000 (Direct Cost: ¥2,400,000、Indirect Cost: ¥720,000)
Fiscal Year 2020: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Fiscal Year 2019: ¥9,490,000 (Direct Cost: ¥7,300,000、Indirect Cost: ¥2,190,000)
Keywords水素脆化 / 格子欠陥 / 原子シミュレーション / 力学特性 / 延性 / 鉄 / 材料強度 / 計算力学 / 変形機構
Outline of Research at the Start

低合金鋼において,水素存在時には破壊の前駆段階で局所的に多量の空孔が生成していること,それらが一度生成すると水素を放出させても延性が回復しないことが示されている.本課題では,空孔の分布状態と脆化率の関係を得ることで,水素脆化のクライテリオンを空孔分布の点から明らかにする.水素―空孔―転位(塑性ひずみ)間では強い相互作用を生じるため,空孔分布を知るためには三者の時間発展を同時に解く必要がある.そこで,統計熱力学と電子・原子レベル解析を駆使して水素存在時の転位と空孔の運動挙動をモデル化し,それらに基づいた非定常水素/空孔拡散―弾塑性連成解析モデルを構築する.

Outline of Final Research Achievements

It has been shown that a lot of vacancy-type defects are locally nucleated at the prodromal stage of fracture of low-alloy steels under a hydrogen environment, and those defects have a strong correlation with embrittlement phenomena. In this study, we performed trans-scale analyses, which cross various scales, through the modeling of dislocation and vacancy by using electric- and atomistic-level simulations and Meso- and Macro-scale continuum methods. Especially, we revealed the aggregation and dissociation behavior of vacancies, and the influence of temperature and concentration on them. We also clarified the influence of hydrogen and vacancy on the dislocation motion, and then we discussed the relationship between the change in dislocation motion and the macroscopic embrittlement. Furthermore, we discovered a new vacancy transport mechanism toward grain boundaries and crack tips through the transition between vacancy clusters and prismatic-dislocation loops.

Academic Significance and Societal Importance of the Research Achievements

水素によって金属材料の延性が低下する水素脆化の研究は,その重要性から継続に行われてきたが未解明な部分が多い.このことが,水素を積極的に利用していくための一つの障壁になっている.本研究では,種々のシミュレーション手法に加えて,実験的なアプローチを援用することで,ミクロな欠陥への水素の作用と,マクロな脆化との関係を幅広く解明した.本研究の成果は,水素脆化による材料強度予測の高精度化や耐水素鋼の開発に向けて重要なものである.また,従来は全く知られていなかった格子欠陥の輸送現象を予測し,次なる研究の方向性まで示した.

Report

(5 results)
  • 2022 Annual Research Report   Final Research Report ( PDF )
  • 2021 Annual Research Report
  • 2020 Annual Research Report
  • 2019 Annual Research Report
  • Research Products

    (34 results)

All 2024 2023 2022 2021 2020 2019 Other

All Journal Article (9 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 9 results,  Open Access: 7 results) Presentation (22 results) (of which Int'l Joint Research: 6 results,  Invited: 7 results) Remarks (3 results)

  • [Journal Article] Influence of High Concentration Vacancy-Type Defects on the Mobility of Edge Dislocation in <i>α</i>-Iron: An Atomistic Investigation2024

    • Author(s)
      Oyinbo Sunday Temitope、Matsumoto Ryosuke
    • Journal Title

      ISIJ International

      Volume: 64 Issue: 4 Pages: 756-764

    • DOI

      10.2355/isijinternational.ISIJINT-2022-356

    • ISSN
      0915-1559, 1347-5460
    • Year and Date
      2024-02-28
    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Transition between a nano-sized prismatic dislocation loop and vacancy cluster in α-iron: An atomic scale study2023

    • Author(s)
      VIJENDRAN Mugilgeethan、MATSUMOTO Ryosuke
    • Journal Title

      Computational Materials Science

      Volume: 225 Pages: 112195-112195

    • DOI

      10.1016/j.commatsci.2023.112195

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Hydrogen Effect on the Mobility of Edge Dislocation in <i>α</i>-Iron: A Long-Timescale Molecular Dynamics Simulation2022

    • Author(s)
      Matsumoto Ryosuke、Oyinbo Sunday T.、Vijendran Mugilgeethan、Taketomi Shinya
    • Journal Title

      ISIJ International

      Volume: 62 Issue: 11 Pages: 2402-2409

    • DOI

      10.2355/isijinternational.ISIJINT-2022-311

    • ISSN
      0915-1559, 1347-5460
    • Year and Date
      2022-11-15
    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Volumetric Strain Dependence of Quantum Diffusion of Hydrogen in bcc Iron2021

    • Author(s)
      Nagase Shuki、Matsumoto Ryosuke
    • Journal Title

      ISIJ International

      Volume: 61 Issue: 4 Pages: 1294-1299

    • DOI

      10.2355/isijinternational.ISIJINT-2020-340

    • NAID

      130008024883

    • ISSN
      0915-1559, 1347-5460
    • Year and Date
      2021-04-15
    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Evaluating Solubility and Diffusion Coefficient of Hydrogen in Martensitic Steel Using Computational Mechanics2020

    • Author(s)
      Fukuda Kazuhito、Tojo Akihiro、Matsumoto Ryosuke
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 61 Issue: 7 Pages: 1287-1293

    • DOI

      10.2320/matertrans.Z-M2020824

    • NAID

      130007864123

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2020-07-01
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Evaluating Solubility and Diffusion Coefficient of Hydrogen in Martensitic Steel Using Computational Mechanics2020

    • Author(s)
      FUKUDA Kazuhito、TOJO Akihiro、MATSUMOTO Ryosuke
    • Journal Title

      Journal of the Society of Materials Science, Japan

      Volume: 69 Issue: 2 Pages: 134-140

    • DOI

      10.2472/jsms.69.134

    • NAID

      130007800428

    • ISSN
      0514-5163, 1880-7488
    • Year and Date
      2020-02-15
    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Numerical Interpretation of Hydrogen Thermal Desorption Spectra for Iron with Hydrogen-Enhanced Strain-Induced Vacancies2020

    • Author(s)
      Ebihara Ken-ichi、Sugiyama Yuri、Matsumoto Ryosuke、Takai Kenichi、Suzudo Tomoaki
    • Journal Title

      Metallurgical and Materials Transactions A

      Volume: 52 Issue: 1 Pages: 257-269

    • DOI

      10.1007/s11661-020-06075-7

    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Molecular dynamics simulation of Surface-Adsorbed-Hydrogen-Induced Dislocation Motion in a thin film2020

    • Author(s)
      Matsumoto Ryosuke、Taketomi Shinya
    • Journal Title

      Computational Materials Science

      Volume: 171 Pages: 109240-109240

    • DOI

      10.1016/j.commatsci.2019.109240

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Temperature dependence of vacancy concentration and void growth mechanism in Al with constant hydrogen concentration: A first-principles study2019

    • Author(s)
      Liu Pengyu、Matsumoto Ryosuke
    • Journal Title

      Engineering Fracture Mechanics

      Volume: 216 Pages: 106508-106508

    • DOI

      10.1016/j.engfracmech.2019.106508

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Presentation] 純鉄における転位と水素,空孔および空孔水素複合体の相互作用に関する分子動力学解析2022

    • Author(s)
      松本龍介
    • Organizer
      日本材料学会「第2回マルチスケールマテリアルモデリングシンポジウム(第7回マルチスケール材料力学シンポジウム)」
    • Related Report
      2022 Annual Research Report
    • Invited
  • [Presentation] Nanometer-scale Hydrogen Embrittlement of a Hydrogen-charged Single Crystal Alpha Iron2022

    • Author(s)
      Oyinbo Sunday, 松本龍介
    • Organizer
      日本材料学会「第2回マルチスケールマテリアルモデリングシンポジウム(第7回マルチスケール材料力学シンポジウム)」
    • Related Report
      2022 Annual Research Report
  • [Presentation] 純鉄中の刃状転位の水素および空孔性欠陥との相互作用挙動の長時間分子動力学解析2022

    • Author(s)
      松本龍介,Sunday OYINBO
    • Organizer
      日本鉄鋼協会「第184回秋季講演大会」
    • Related Report
      2022 Annual Research Report
  • [Presentation] 純鉄中の空孔性欠陥の存在状態と刃状転位の易動度に関する原子モデル解析2022

    • Author(s)
      松本龍介
    • Organizer
      日本鉄鋼協会「第184回秋季講演大会」(鉄鋼協会研究プロジェクト最終報告会「高強度鋼の水素脆化における潜伏期から破壊までの機構解明」)
    • Related Report
      2022 Annual Research Report
  • [Presentation] Atomistic Investigation of Hydrogen Influence on the Mobility of Edge Dislocations in Alpha-Iron2022

    • Author(s)
      S.T. Oyinbo and R. Matsumoto
    • Organizer
      15th World Congress on Computational Mechanics (WCCM-XV) and 8th Asian Pacific Congress on Computational Mechanics (APCOM-VIII)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] The degree of freedom associated with the one-dimensional thermal glide of a priismatic dislocation loop in alpha-iron: A molecular dynamics study2022

    • Author(s)
      M. Vigendran and R. Matsumoto
    • Organizer
      6th International Conference on Materials and Reliability (ICMR2022)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 純鉄の水素脆化における潜伏期と破壊の素過程解析2022

    • Author(s)
      武富紳也
    • Organizer
      日本鉄鋼協会「第184回秋季講演大会」(鉄鋼協会研究プロジェクト最終報告会「高強度鋼の水素脆化における潜伏期から破壊までの機構解明」)
    • Related Report
      2022 Annual Research Report
  • [Presentation] Hydrogen-Vacancy Complexes in bcc-Fe: Diffusion, Clusterization, Dissociation, and Influence on Dislocation2021

    • Author(s)
      R. Matsumoto, C. Sano, S. Taketomi, and K. Ebihara
    • Organizer
      17th International Conference on Diffusion in Solids and Liquids (DSL2021)
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] 純鉄中の水素-空孔性欠陥-転位間相互作用に関する原子モデル解析2021

    • Author(s)
      松本龍介
    • Organizer
      日本鉄鋼協会「ISSS 2021ポストシンポジウム」
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] 長時間/大規模MDによる鉄中の転位―水素―空孔の相互作用解析2021

    • Author(s)
      松本龍介
    • Organizer
      第11回プラストンに基づく変形現象研究会 ~鉄鋼材料の水素脆性~
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] 水素脆化に関する計算科学を用いた研究2021

    • Author(s)
      武富紳也
    • Organizer
      日本材料学会 第64期第4回 高温強度部門委員会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] ひずみ誘起空孔を含む純鉄の水素熱脱離スペクトルの数値的考察2020

    • Author(s)
      海老原健一,杉山優里,高井健一,松本龍介,鈴土知明
    • Organizer
      日本鉄鋼協会(第180回秋季講演大会プログラム)
    • Related Report
      2020 Annual Research Report
  • [Presentation] α鉄における水素環境での転位運動挙動の変化 -水素の直接的寄与と空孔性欠陥の間接的寄与-2020

    • Author(s)
      松本龍介,武富紳也
    • Organizer
      日本鉄鋼協会 ISSS(International Symposium on Steel Science)勉強会
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] Atomistic Analyses of Thermal Evolution of Voids in Aluminum with Hydrogen2019

    • Author(s)
      R. Matsumoto and P. Liu
    • Organizer
      KSME-JSME Joint Symposium on Computational Mechanics & CAE 2019
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Void Growth Conditions in Aluminum with Hydrogen2019

    • Author(s)
      Ryosuke Matsumoto and Pengyu Liu
    • Organizer
      The fourth International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics (ISAM-2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Influence of Hydrogen on Edge Dislocation Motion in Alpha Iron and the Comparison with Nanoindentation Tests2019

    • Author(s)
      Shinya Taketomi, Toshiki Taniguchi, Hiroki Yamamoto, Ryosuke Matsumoto and Seiya Hagihara
    • Organizer
      The fourth International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics (ISAM-2019)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 大域的反応経路探索法を用いた空孔性欠陥の拡散挙動解析2019

    • Author(s)
      松本龍介・白谷暢浩
    • Organizer
      日本材料学会(第4回マルチスケール材料力学シンポジウム)
    • Related Report
      2019 Annual Research Report
  • [Presentation] マルテンサイト鋼におけるモバイル水素効果の解明に向けた水素固溶量と拡散係数の評価2019

    • Author(s)
      福田一仁・東條明裕・松本龍介
    • Organizer
      日本材料学会(第4回マルチスケール材料力学シンポジウム)
    • Related Report
      2019 Annual Research Report
  • [Presentation] bcc鉄における水素拡散挙動の応力依存性評価2019

    • Author(s)
      長瀬周輝・松本龍介
    • Organizer
      日本材料学会(第4回マルチスケール材料力学シンポジウム)
    • Related Report
      2019 Annual Research Report
  • [Presentation] 水素がbcc鉄中の空孔の凝集・解離に及ぼす影響の第一原理的評価2019

    • Author(s)
      佐野千畝・松本龍介
    • Organizer
      日本材料学会(第4回マルチスケール材料力学シンポジウム)
    • Related Report
      2019 Annual Research Report
  • [Presentation] 薄膜表面に吸着した水素が誘起する転位運動の分子動力学解析2019

    • Author(s)
      松本龍介
    • Organizer
      日本機械学会(2019年度年次大会)
    • Related Report
      2019 Annual Research Report
  • [Presentation] 空孔性欠陥の存在状態と脆化との関係(電子・原子レベルシミュレーションによる検討)2019

    • Author(s)
      松本龍介,Liu Pengyu, 武富紳也
    • Organizer
      日本鉄鋼協会「「高強度鋼の水素脆化における潜伏期から破壊までの機構解明」研究PJ・「水素脆化の基本要因と実用課題」フォーラム共催シンポジウム「水素脆化の破壊機構と実用課題」」
    • Related Report
      2019 Annual Research Report
  • [Remarks] researchmap

    • URL

      https://researchmap.jp/read0115219

    • Related Report
      2022 Annual Research Report 2021 Annual Research Report 2020 Annual Research Report 2019 Annual Research Report
  • [Remarks] 京都先端科学大学 教員紹介

    • URL

      https://www.kuas.ac.jp/edu-research/profile/ryosuke-matsumoto

    • Related Report
      2022 Annual Research Report 2021 Annual Research Report 2020 Annual Research Report
  • [Remarks] 京都先端科学大学 教員紹介

    • URL

      https://www.kuas.ac.jp/edu-research/profile/ryosuke-matsumoto

    • Related Report
      2019 Annual Research Report

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Published: 2019-04-18   Modified: 2024-01-30  

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