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Establishment of a framework for quantitative evaluation of elementary process of defomation of metals using atomistic simulations

Research Project

Project/Area Number 26820008
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Materials/Mechanics of materials
Research InstitutionKyoto University

Principal Investigator

Uranagase Masayuki  京都大学, 工学(系)研究科(研究院), 特定研究員 (00512766)

Project Period (FY) 2014-04-01 – 2016-03-31
Project Status Completed (Fiscal Year 2015)
Budget Amount *help
¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Fiscal Year 2015: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2014: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Keywords原子シミュレーション / 転位 / マグネシウム / 粒界 / 活性化自由エネルギー
Outline of Final Research Achievements

The methodology for quantitative evaluation of dislocation nucleation using atomistic simulations is established. Then, dependence of the dislocation nucleation on stresses and temperature for magnesium is studied. In particular, I showed that "enthalpy-entropy compensation" is satisfied for basal and prismatic dislocation nucleations in a magnesium single crystal and the compressive stress in [11-20] can decrease the resolved shear stress for basal dislocation nucleation. In addition, molecular dynamics simulations on uniaxial deformation of magnesium nano pillar and bicrystal in order to study plastic deformations from plane defects.

Report

(3 results)
  • 2015 Annual Research Report   Final Research Report ( PDF )
  • 2014 Research-status Report
  • Research Products

    (15 results)

All 2016 2015 2014

All Journal Article (4 results) (of which Peer Reviewed: 4 results,  Acknowledgement Compliant: 3 results) Presentation (11 results) (of which Int'l Joint Research: 2 results)

  • [Journal Article] Effects of normal stresses on the homogeneous nucleation of a basal dislocation in magnesium2016

    • Author(s)
      M. Uranagase, R. Matsumoto
    • Journal Title

      Computational Materials Science

      Volume: 113 Pages: 143-147

    • DOI

      10.1016/j.commatsci.2015.11.031

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Basal Dislocation Nucleated from a Free Surface of an Elliptic Cylindrical Mg Single Crystal2016

    • Author(s)
      浦長瀬正幸,松本龍介
    • Journal Title

      Journal of the Society of Materials Science, Japan

      Volume: 65 Issue: 2 Pages: 135-140

    • DOI

      10.2472/jsms.65.135

    • NAID

      130005126265

    • ISSN
      0514-5163, 1880-7488
    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Tension–compression asymmetry in uniaxial deformation of a magnesium bicrystal with [-1100] symmetric tilt grain boundary2016

    • Author(s)
      M. Uranagase, R. Matsumoto
    • Journal Title

      Computational Materials Science

      Volume: 118 Pages: 124-132

    • DOI

      10.1016/j.commatsci.2016.03.012

    • Related Report
      2015 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Thermal activation analysis of enthalpic and entropic contributions to activation free energy of basal and prismatic slips in Mg2014

    • Author(s)
      M. Uranagase, R. Matsumoto
    • Journal Title

      Physical Review B

      Volume: 89 Issue: 22 Pages: 224103-224103

    • DOI

      10.1103/physrevb.89.224103

    • Related Report
      2014 Research-status Report
    • Peer Reviewed
  • [Presentation] メタダイナミクス法によるマグネシウム結晶での転位生成の定量的評価2016

    • Author(s)
      浦長瀬 正幸、松本 龍介
    • Organizer
      日本物理学会第71回年次大会
    • Place of Presentation
      東北学院大学
    • Year and Date
      2016-03-19
    • Related Report
      2015 Annual Research Report
  • [Presentation] 対称傾角粒界を有するマグネシウム双結晶の一軸変形の分子動力学解析2015

    • Author(s)
      浦長瀬 正幸、松本 龍介
    • Organizer
      日本機械学会M&M2015材料力学カンファレンス
    • Place of Presentation
      慶應義塾大学
    • Year and Date
      2015-11-21
    • Related Report
      2015 Annual Research Report
  • [Presentation] Quantitative Study on Dislocation Nucleation as an Elementary Process of Kink Band Formation2015

    • Author(s)
      Masayuki Uranagase, Ryosuke Matsumoto
    • Organizer
      Mg 2015
    • Place of Presentation
      Jeju, Korea
    • Year and Date
      2015-10-11
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] マグネシウム中での粒界からの転位射出についての原子シミュレーションによる検討2015

    • Author(s)
      浦長瀬 正幸、松本 龍介
    • Organizer
      日本金属学会2015年秋期大会
    • Place of Presentation
      九州大学
    • Year and Date
      2015-09-16
    • Related Report
      2015 Annual Research Report
  • [Presentation] 粒界・自由表面を有するマグネシウム結晶の一軸変形挙動2015

    • Author(s)
      浦長瀬 正幸、松本 龍介
    • Organizer
      第20回分子動力学シンポジウム
    • Place of Presentation
      山形大学
    • Year and Date
      2015-05-22
    • Related Report
      2015 Annual Research Report
  • [Presentation] Quantitative evaluation of dislocation nucleation as thermal activation process via atomistic simulations2015

    • Author(s)
      Masayuki Uranagase, Ryosuke Matsumoto
    • Organizer
      ICM12
    • Place of Presentation
      Karlsruhe, Germany
    • Year and Date
      2015-05-10
    • Related Report
      2015 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 原子シミュレーションによる金属単結晶中の転位生成に対する垂直応力の影響の定量的評価2014

    • Author(s)
      浦長瀬 正幸、 松本 龍介
    • Organizer
      日本機械学会 第27回計算力学講演会
    • Place of Presentation
      岩手大学工学部
    • Year and Date
      2014-11-22 – 2014-11-24
    • Related Report
      2014 Research-status Report
  • [Presentation] Mg結晶中における転位生成の温度・応力依存性の原子シミュレーションによる検討2014

    • Author(s)
      浦長瀬 正幸、 松本 龍介
    • Organizer
      第58回日本学術会議材料工学連合講演会
    • Place of Presentation
      京都テルサ
    • Year and Date
      2014-10-27 – 2014-10-28
    • Related Report
      2014 Research-status Report
  • [Presentation] Atomistic Simulation Study of the Dependence of Thermal Activation of Dislocation Nucleation in Mg on Temperature and Applied Stresses2014

    • Author(s)
      Masayuki Uranagase, Ryosuke Matsumoto
    • Organizer
      LPSO 2014
    • Place of Presentation
      Hotel Nikko Kumamoto
    • Year and Date
      2014-10-05 – 2014-10-08
    • Related Report
      2014 Research-status Report
  • [Presentation] 原子シミュレーションによる種々の応力環境下でのマグネシウム単結晶中の転位生成の定量的解析2014

    • Author(s)
      浦長瀬 正幸、 松本 龍介
    • Organizer
      日本機械学会 M&M2014材料力学カンファレンス
    • Place of Presentation
      福島大学 金谷川キャンパス
    • Year and Date
      2014-07-18 – 2014-07-21
    • Related Report
      2014 Research-status Report
  • [Presentation] Mg結晶中での転位生成の活性化自由エネルギーに対するエントロピーの影響2014

    • Author(s)
      浦長瀬 正幸、 松本 龍介
    • Organizer
      第19回分子動力学シンポジウム
    • Place of Presentation
      福岡大学
    • Year and Date
      2014-05-16
    • Related Report
      2014 Research-status Report

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Published: 2014-04-04   Modified: 2017-05-10  

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