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金属ガラスの変形機構を考慮したマルチスケールモデリングの研究

Research Project

Project/Area Number 15074214
Research Category

Grant-in-Aid for Scientific Research on Priority Areas

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionOsaka University

Principal Investigator

澁谷 陽二 (渋谷 陽二)  Osaka University, 大学院・工学研究科, 教授 (70206150)

Co-Investigator(Kenkyū-buntansha) 松中 大介  大阪大学, 大学院・工学研究科, 助教 (60403151)
竹内 章  東北大学, 金属材料研究所, 准教授 (40250815)
尾方 成信  大阪大学, 大学院工学研究科, 助教授 (20273584)
中谷 敬子  大阪府立工業高等専門学校, 総合工学システム学科, 助教授 (60295714)
小山 敦弘  長崎大学, 工学部, 講師 (40324800)
Project Period (FY) 2003 – 2007
Project Status Completed (Fiscal Year 2007)
Budget Amount *help
¥53,500,000 (Direct Cost: ¥53,500,000)
Fiscal Year 2007: ¥4,200,000 (Direct Cost: ¥4,200,000)
Fiscal Year 2006: ¥13,100,000 (Direct Cost: ¥13,100,000)
Fiscal Year 2005: ¥14,500,000 (Direct Cost: ¥14,500,000)
Fiscal Year 2004: ¥14,500,000 (Direct Cost: ¥14,500,000)
Fiscal Year 2003: ¥7,200,000 (Direct Cost: ¥7,200,000)
Keywords金属ガラス / 分子動力学シミュレーション / 内部構造解析 / 変形の局所化 / せん断帯 / ボロノイ多面体 / 自由体積 / アモルファス金属 / 局所幾何構造 / 20面体 / 機械的特性 / ガラス形成能 / 塑性変形能 / 分子動力学法 / 原子間ポテンシャル / 熱力学関数 / 第一原理計算 / 降伏現象 / 降伏曲面 / 2元系
Research Abstract

交付申請書に記載した3点の研究実施計画の項目に対応して,当該年度に実施した内容を記述する.まず,アモルファス金属の機械的特性評価の変形メカニズムの検討について,初期の自由体積に応じてヤング率といった弾性特性がほぼ決定されることを,一連の計算力学シミュレーションから明らかにした.そして,塑性変形挙動は,初期の自由体積に加えて,20面体を主とする内部局所構造の崩壊にともなう変形誘起の自由体積の存在を提案した.それら自由体積の局在化によりせん断帯の生じることを明らかにした.実際の材料では,多重のせん断帯が生じ,その干渉による分岐や停留が塑性変形能に大きく影響を与えることがわかっている.本研究では,多重せん断帯の創出する原子モデルを新たに提案し,その力学的な効果や熱的な特性評価を行つた.せん断帯内部では高温になるとともに,自由体積が著しく増大していることがわかつた.つぎに,結晶相を含む複合化の力学的特性を分子動力学シミュレ旨ションにより解析した.本研究で新たに提案した多重せん断帯原子モデルを適用することにより,結晶相がそのサイズではなく分散配置が一様な塑性変形の継続に強く影響を与えることを初めて明らかにした.これら一連の知見は,塑性変形能を向上させる複合化処理技術の向上に貢献した.そして最後に,種々の材料データベースを用いて多元系の緩和過程における内部構造の解析キデルを新たに提案し,比較的安定なクラスター構造がアモルファス構造の中距離秩序構造である可能性を示唆した.

Report

(5 results)
  • 2007 Annual Research Report
  • 2006 Annual Research Report
  • 2005 Annual Research Report
  • 2004 Annual Research Report
  • 2003 Annual Research Report
  • Research Products

    (26 results)

All 2008 2007 2006 2005 2004 Other

All Journal Article (20 results) (of which Peer Reviewed: 3 results) Presentation (1 results) Book (1 results) Remarks (1 results) Publications (3 results)

  • [Journal Article] アモルファス金属における多重せん断帯の原子論的形成メカニズム2008

    • Author(s)
      譯田真人, 渋谷陽二, 尾方成信
    • Journal Title

      材料 57

      Pages: 119-125

    • NAID

      130002085735

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Atomic packing density and its influence on the properties of Cu-Zr amorphous alloys2007

    • Author(s)
      K-W., park・J-I., Jang・M., Wakeda・Y., Shibutani・J-C., Lee
    • Journal Title

      Scrlpta Materialia 57

      Pages: 805-808

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Influence of Size and Number of Nanocrystals on Shear Band Formation in Amorphous Alloys2007

    • Author(s)
      J., Park・Y., Shibutani・M., Wakeda・S., Ogata
    • Journal Title

      Materials Transactions 48

      Pages: 1001-1006

    • NAID

      10020136331

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Computational Relationship of Deformation Behavior and Materials Strength of Amorphous Alloys to Short-ranged Local Structures2007

    • Author(s)
      Y.Shibutani, M.Wakeda, S.Ogata, J.Park
    • Journal Title

      Materials Science Forum 539-543

      Pages: 1911-1916

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Weighted Voronoi tessellation technique for internal structure of metallic glasses2007

    • Author(s)
      J.Park, Y.Shibutani
    • Journal Title

      Intermetallics 15

      Pages: 187-192

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Relationship between local geometrical factors and mechanical properties for Cu-Zr amorphous alloys2007

    • Author(s)
      M.Wakeda, Y.Shibutani, S.Ogata J.Park
    • Journal Title

      Intermetallic 15

      Pages: 139-144

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Yield point of metallic glass2006

    • Author(s)
      F.Shimizu, S.Ogata, J, Li
    • Journal Title

      Acta Materialia 54

      Pages: 4293-4298

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Effects of Atomic Size for Voronoi Tessellation Technique on binary and Ternary Systems of Metallic Glasses2006

    • Author(s)
      J.Park, Y.Shibutani
    • Journal Title

      Materials Transactions 47・12

      Pages: 2904-2909

    • NAID

      10018421315

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Atomistic simulation of shear localization in Cu-Zr bulk metallic glass2006

    • Author(s)
      S.Ogata, F.Shimizu, J.Li, M.Wakeda, Y.Shibutani
    • Journal Title

      Intermetallics 14

      Pages: 1033-1037

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Effects of Atomic Deviatoric Distortion on Local Glass Transition of Metallic Glasses2005

    • Author(s)
      J.Park, Y.Shibutani, S.Ogata M.Wakeda
    • Journal Title

      Materials Transactions 46・12

      Pages: 2848-2855

    • NAID

      10017150104

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Development of Metallic Glasses by Semi-Empirical Calculation Method2005

    • Author(s)
      A.Takeuchi, A.Inoue
    • Journal Title

      Journal of Metastable and Nanocrystalline Materials 24・25

      Pages: 283-286

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Classification of Bulk Metallic Glasses by Atomic Size Difference, Heal of Mixing and Period of Constituent Elements and Its Application to Characterization of the Main Alloying Element2005

    • Author(s)
      A.Takeuchi, A.Inoue
    • Journal Title

      Materials Transactions 46・12

      Pages: 2817-2829

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Phonon Dispersion Curves and Structural Stability for CuZr using a New Modified Embedded Atom Method Potential2005

    • Author(s)
      K.Nakatani, A.J.Clifton, M.I.Baskes
    • Journal Title

      Transaction of Materials Research Society of Japan 30・3

      Pages: 881-884

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Atomistic Yield Cnterion Dependent on Hydrostatic Pressure of Bulk Metallic Glasses2004

    • Author(s)
      Yoji Shibutani, Masato Wakeda, Sigenobu Ogata
    • Journal Title

      日本金属学会秋期大会講演概要

      Pages: 62-62

    • Related Report
      2004 Annual Research Report
  • [Journal Article] 分子動力学法による2元系アモルファス合金の強度則と内部構造変化2004

    • Author(s)
      譯田 真人, 渋谷 陽二, 尾方 成信
    • Journal Title

      第15回日本MRS学術シンポジウム概要集

      Pages: 227-227

    • Related Report
      2004 Annual Research Report
  • [Journal Article] CuZr合金への適用を目的とした新しいEAMポテンシャルの開発2004

    • Author(s)
      中谷 敬子
    • Journal Title

      第15回日本MRS学術シンポジウム概要集

      Pages: 228-228

    • Related Report
      2004 Annual Research Report
  • [Journal Article] 新たなMEAMポテンシャルのCu-Zr合金への適用2004

    • Author(s)
      中谷 敬子
    • Journal Title

      第17回計算力学講演会講演論文集 No.04-40

      Pages: 287-288

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Calculations of Dominant Factors of Glass-Forming Ability for Metallic Glasses from Viscosity2004

    • Author(s)
      A.Takeuchi, A.Inoue
    • Journal Title

      Materials Science and Engineering A375-377

      Pages: 449-454

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Thermodynamic and Kinetic Analyses of Formation of Amorphous and Nanocrystalline Alloys with the Aid of Computer and Database2004

    • Author(s)
      A.Takeuchi, A.Inoue
    • Journal Title

      Journal of Optoelectronics and Advanced Materials 6・2

      Pages: 533-540

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Atomic Simulation of Shear Localization in Zr-Cu Bulk Metallic Glass

    • Author(s)
      S.Ogata, F.Shimizu, J.Li, M.Wakeda, Y.Shibutani
    • Journal Title

      Intermatallics (印刷中)

    • Related Report
      2005 Annual Research Report
  • [Presentation] Shear Banding Analyses of Amorphous Alloys with Crystalline Particles2007

    • Author(s)
      Y., Shibutani・M., Wakeda・J., Park
    • Organizer
      The 6th Pacific Rim International Conference on Advanced Materials and Processing
    • Place of Presentation
      Jeju Island (korea)
    • Year and Date
      2007-11-08
    • Related Report
      2007 Annual Research Report
  • [Book] 新機能材料 金属ガラスの基礎と産業への応用(出版予定)2008

    • Author(s)
      渋谷陽二(分担執筆)
    • Publisher
      (株)テクノシステム
    • Related Report
      2007 Annual Research Report
  • [Remarks] 本特定領域代表の所属する機関で作成

    • URL

      http://glasmet.imr.tohoku.ac.jp/

    • Related Report
      2007 Annual Research Report
  • [Publications] 譯田真人, 尾方成信, 渋谷陽二: "分子動力学法を用いた2元系アモルファス合金の強度則の検討"日本機械学会関西学生会卒業研究発表講演会講演前刷集. 1-14 (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] 竹内 章, 井上明久: "金属ガラスおよびアモルファス合金の形成能の熱力学的評価"まてりあ. 42・5. 413-421 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] A.Takeuchi, A.Inoue: "Computer-Aided Development of Multicomponent Metallic Glasses"Materials Research Society Symposium Proceedings. 754. 35-46 (2003)

    • Related Report
      2003 Annual Research Report

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Published: 2003-04-01   Modified: 2018-03-28  

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