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Atomistic Computational and Micro-scale Experimental Studies on Deformation Mechanisms in Magnesium Alloys

Research Project

Project/Area Number 17K06052
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Materials/Mechanics of materials
Research InstitutionShinshu University

Principal Investigator

Matsunaka Daisuke  信州大学, 学術研究院工学系, 准教授 (60403151)

Project Period (FY) 2017-04-01 – 2020-03-31
Project Status Completed (Fiscal Year 2019)
Budget Amount *help
¥3,250,000 (Direct Cost: ¥2,500,000、Indirect Cost: ¥750,000)
Fiscal Year 2019: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2018: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000)
Fiscal Year 2017: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Keywordsマグネシウム合金 / マイクロピラー圧縮試験 / ナノインデンテーション / 分子動力学法 / 第一原理計算 / 異種原子間ポテンシャル / マグネシウム / マイクロ材料試験
Outline of Final Research Achievements

In this study, atomistic/electronic analyses such as first-principles calculations and molecular dynamics simulations, and micro-scale experiments such as nano-indentation and micro-pillar compression tests were carried out to obtain detailed understanding of deformation mechanisms in magnesium alloys and effects of alloying elements on each elementary event of plastic deformation. As an important result in this study, it has been found that Yttrium addition increases the critical resolved shear stress for basal slip and (10-12) twinning which are major deformation mechanism in magnesium.

Academic Significance and Societal Importance of the Research Achievements

本研究では,計算と実験の双方がミクロなスケールを対象として実施されたことで,お互いを連携させて,マグネシウム合金の塑性変形に関する原子レベルでの理解を進めることができた.本研究で得られた各変形機構の原子レベルの挙動や合金元素の効果に関する基礎的な情報は,さらなる高性能マグネシウム合金の開発に貢献すると期待できる.

Report

(4 results)
  • 2019 Annual Research Report   Final Research Report ( PDF )
  • 2018 Research-status Report
  • 2017 Research-status Report
  • Research Products

    (21 results)

All 2020 2019 2018 2017 Other

All Journal Article (3 results) (of which Peer Reviewed: 2 results) Presentation (17 results) (of which Int'l Joint Research: 3 results,  Invited: 1 results) Remarks (1 results)

  • [Journal Article] Molecular Dynamics Study of Influences of Non-Glide Stress on 〈a〉 Slips in Magnesium2020

    • Author(s)
      So Yoshikawa, Daisuke Matsunaka
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 61 Issue: 1 Pages: 127-135

    • DOI

      10.2320/matertrans.MT-M2019263

    • NAID

      130007772508

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2020-01-01
    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Defect nucleation from a pre-existing intrinsic I1 stacking fault in magnesium by molecular dynamics simulations2020

    • Author(s)
      So Yoshikawa, Daisuke Matsunaka
    • Journal Title

      Computational Materials Science

      Volume: 179 Pages: 109644-109644

    • DOI

      10.1016/j.commatsci.2020.109644

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Molecular Dynamics Study of Fracture Behavior of Magnesium2017

    • Author(s)
      松中大介,渋谷陽二
    • Journal Title

      Materia Japan

      Volume: 56 Issue: 8 Pages: 493-497

    • DOI

      10.2320/materia.56.493

    • NAID

      130005875792

    • ISSN
      1340-2625, 1884-5843
    • Related Report
      2017 Research-status Report
  • [Presentation] マグネシウムの対称傾角粒界に関する原子論的解析2019

    • Author(s)
      松中大介,河原克尚
    • Organizer
      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] ニューラルネットワーク原子間ポテンシャルを用いた分子動力学解析の検討2019

    • Author(s)
      小細浩輔,藤岡芳弥,吉川創,松中大介
    • Organizer
      第24回計算工学講演会
    • Related Report
      2019 Annual Research Report
  • [Presentation] Mg合金のマイクロピラー圧縮変形におけるY 元素の効果2019

    • Author(s)
      松中大介,松井将也,渋谷陽二,染川英俊
    • Organizer
      日本機械学会M&M2019材料力学カンファレンス
    • Related Report
      2019 Annual Research Report
  • [Presentation] 電子・原子論的アプローチによる固体材料の力学挙動の解析2019

    • Author(s)
      松中大介
    • Organizer
      第160回機能創成セミナー
    • Related Report
      2019 Annual Research Report
    • Invited
  • [Presentation] Molecular Dynamics Simulation on Defect Nucleation from Pre-existing I1 Stacking Fault in Magnesium2019

    • Author(s)
      So Yoshikawa, Daisuke Matsunaka
    • Organizer
      The 7th Asian Pacific Congress on Computational Mechanics
    • Related Report
      2019 Annual Research Report
  • [Presentation] First-principles Calculations of Interfacial Interaction betwenn Carbon Nanotube and Ceramic Surfaces2019

    • Author(s)
      Daisuke Matsunaka, Irfan Dwi Aditya, Yoji Shibutani
    • Organizer
      The 4th International Symposium on Atomistic and Multiscale Modeling of Mechanics and Multiphysics
    • Related Report
      2019 Annual Research Report
  • [Presentation] マグネシウムのナノインデンテーションにおける変形挙動の原子論的解析2018

    • Author(s)
      須藤海志,吉川創,松中大介
    • Organizer
      日本材料学会第3回マルチスケール材料力学シンポジウム
    • Related Report
      2018 Research-status Report
  • [Presentation] EAMポテンシャルにおける異種原子間相互作用の検討2018

    • Author(s)
      松中大介,木村文彦
    • Organizer
      第23回計算工学講演会
    • Related Report
      2018 Research-status Report
  • [Presentation] マグネシウムにおける対称傾角粒界の原子論的評価2018

    • Author(s)
      河原克尚,松中大介
    • Organizer
      日本金属学会北陸信越支部日本鉄鋼協会北陸信越支部平成30年度連合講演会
    • Related Report
      2018 Research-status Report
  • [Presentation] ナノインデンテーションにおけるマグネシウムの変形挙動に関するMD解析2018

    • Author(s)
      須藤海志,松中大介,染川英俊
    • Organizer
      日本金属学会北陸信越支部日本鉄鋼協会北陸信越支部平成30年度連合講演会
    • Related Report
      2018 Research-status Report
  • [Presentation] Structural stability of long-period stacking ordered magnesium alloys2018

    • Author(s)
      Daisuke Matsunaka, Yoji Shibutani
    • Organizer
      The 9th International Conference on Multiscale Materials Modeling
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] Frist-principles calculations of deformation twins in hexagonal titanium alloys2018

    • Author(s)
      Daisuke Matsunaka, Ryosuke Amano
    • Organizer
      The 9th International Conference on Multiscale Materials Modeling
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research
  • [Presentation] 第一原理計算を用いたMg合金の双晶変形に対するγ表面解析の検討2017

    • Author(s)
      日高真之介,松中大介
    • Organizer
      第2回マルチスケール材料力学シンポジウム
    • Related Report
      2017 Research-status Report
  • [Presentation] マグネシウムの基本変形に関する応力状態を考慮した分子動力学解析2017

    • Author(s)
      吉川創,松中大介
    • Organizer
      第22回計算工学講演会
    • Related Report
      2017 Research-status Report
  • [Presentation] 合金系のためのEAMポテンシャルパラメータの修正およびクロス項の検討2017

    • Author(s)
      木村文彦,松中大介
    • Organizer
      日本機械学会第30回計算力学講演会
    • Related Report
      2017 Research-status Report
  • [Presentation] 分子動力学法による多軸応力下でのマグネシウム合金の変形挙動解析2017

    • Author(s)
      松中大介,渋谷陽二
    • Organizer
      日本機械学会M&M2017材料力学カンファレンス
    • Related Report
      2017 Research-status Report
  • [Presentation] Incipient plastic deformation in indentation behavior of magnesium2017

    • Author(s)
      S. Hidaka, D. Matsunaka, and H. Somekawa
    • Organizer
      NIMS WEEK 2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Remarks] 信州大学工学部機械システム工学科計算材料科学研究室

    • URL

      https://www.shinshu-u.ac.jp/faculty/engineering/department/mech/laboratories/u/

    • Related Report
      2019 Annual Research Report

URL: 

Published: 2017-04-28   Modified: 2021-02-19  

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