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Clarification of Local Atomic Arrangements of Metallic Glasses by Plastic Crystal Model and Fabrication of New Bulk Metallic Glasses

Research Project

Project/Area Number 21560715
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Structural/Functional materials
Research InstitutionTohoku University

Principal Investigator

TAKEUCHI Akira  東北大学, 原子分子材料科学高等研究機構, 准教授 (40250815)

Co-Investigator(Kenkyū-buntansha) YOKOYAMA Yoshihiko  東北大学, 金属材料研究所, 准教授 (00261511)
YUBUTA Kunio  東北大学, 金属材料研究所, 准教授 (00302208)
Project Period (FY) 2009 – 2011
Project Status Completed (Fiscal Year 2011)
Budget Amount *help
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2011: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2010: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2009: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Keywordsアモルファス材料 / 金属ガラス / 柔粘性結晶 / 分子動力学シミュレーション / バルク金属ガラス / 高エントロピー合金 / ユナイテッドアトム / 合金組成図 / 周期律表 / 結晶構造 / 金属間化合物 / 局所原子構造 / 高エントロピーバルク金属ガラス / 等原子分率 / 合金開発 / 黄金分割 / パーコレーション / 粘性 / ガーネット構造
Research Abstract

The present study dealt with molecular dynamics (MD)simulations to analyze the atomic-scale structure of metallic glasses and the development of a new bulk metallic glass (BMG). A MD simulation model by referring to a plastic crystal was performed where the plastic crystal is known as an intermediate phase between a liquid and solid phase in a class of molecular materials. Simulation results revealed that BMGs possess critically-percolated, cluster-packed structure. Furthermore, considerations of the simulation results make it possible to produce a high-entropy bulk metallic glass with a critical diameter of 10 mm in a Pd_20Pt_20Cu_20Ni_20P_20 alloy as a new type of bulk metallic glass.

Report

(4 results)
  • 2011 Annual Research Report   Final Research Report ( PDF )
  • 2010 Annual Research Report
  • 2009 Annual Research Report
  • Research Products

    (40 results)

All 2012 2011 2010 2009

All Journal Article (19 results) (of which Peer Reviewed: 19 results) Presentation (15 results) Book (6 results)

  • [Journal Article] Molecular Dynamics Simulations Based on Plastic Crystal Model with Introducing United Atom Scheme Demonstrated for Zr_2Ni Metallic Glass2012

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

      Mater. Sci. Forum

      Volume: 706-709 Pages: 1337-1342

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Critically-Percolated, Cluster-Packed Structure in Cu-Zr Binary Bulk Metallic Glass Demonstrated by Molecular Dynamics Simulations based on Plastic Crystal Model2012

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

      Materials Transactions

      Volume: 53(in press)

    • NAID

      10030630200

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Pd_20Pt_20Cu_20Ni_20P_20 High-Entropy Alloy as a Bulk Metallic Glass in the Centimeter2011

    • Author(s)
      A. Takeuchi, N. Chen, T. Wada, Y. Yokoyama, H. Kato, A. Inoue and J.-W. Yeh
    • Journal Title

      Intermetallics

      Volume: 19 Pages: 1546-1554

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Pd_20Pt_20Cu_20Ni_20P_20 High-Entropy Alloy as a Bulk Metallic Glass in the Centimeter2011

    • Author(s)
      A. Takeuchi, N. Chen, T. Wada, Y. Yokoyama, H. Kato, A. Inoue and J.-W. Yeh
    • Journal Title

      Intermetallics

      Volume: 19 Issue: 10 Pages: 1546-1554

    • DOI

      10.1016/j.intermet.2011.05.030

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Molecular Dynamics Simulations Based on Plastic Crystal Model with Introducing United Atom Scheme Demonstrated for Zr_2Ni Metallic Glass2011

    • Author(s)
      A.Takeuchi
    • Journal Title

      Materials Science Forum

      Volume: 706-709 Pages: 1337-1342

    • DOI

      10.4028/www.scientific.net/msf.706-709.1337

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Recent Development and Applications of Bulk Glassy Alloys2011

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

      Acta Materialia

      Volume: 59 Issue: 6 Pages: 2243-2267

    • DOI

      10.1016/j.actamat.2010.11.027

    • Related Report
      2011 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Zr_60Al_15(Ni, Cu)_25 Noncrystalline Alloys Created by Referring to Ionic Arrangements of a Garnet Structure with Molecular Dynamics Simulations Based on a Plastic Crystal Model2010

    • Author(s)
      A. Takeuchi, K. Yubuta, A. R. Yavari and A. Inoue
    • Journal Title

      Intermetallics

      Volume: 18 Pages: 330-341

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Vogel-Fulcher-Tammann Plot for Viscosity Scaled with Temperature Interval between Actual and Ideal Glass Transitions for Metallic Glasses in Liquid and Supercooled Liquid States2010

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

      Intermetallics

      Volume: 18 Pages: 406-411

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Molecular Dynamics Simulations of Critically Percolated, Cluster-Packed Structure in Zr-Al-Ni Bulk Metallic Glass2010

    • Author(s)
      A. Takeuchi, K. Yubuta, M. Ogata and A. Inoue
    • Journal Title

      J. Mater. Sci.

      Volume: 45 Pages: 4898-4905

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Mixing Enthalpy of Liquid Phase Calculated by Miedema's Scheme and Approximated with Sub-Regular Solution Model for Assessing Forming Ability of Amorphous and Glassy Alloys2010

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

      Intermetallics

      Volume: 18 Pages: 1779-1789

    • Related Report
      2011 Final Research Report 2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Local Atomic Arrangements of Pd-Based Bulk Metallic Glasses of the Metal-Metalloid Type Demonstrated by Molecular Dynamics Simulations2010

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

      Mater. Sci. Forum

      Volume: 654-656 Pages: 1038-1041

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] High Entropy State of Orientationally-Disordered Clusters in Zr-Based Bulk Metallic Glass2010

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

      Prog. Mat. Sci.

      Volume: 20 Pages: 87-96

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Molecular Dynamics Simulations of Critically Percolated, Ciuster-Pack tructure in Zr-Al-Ni Bulk Metallic Glass2010

    • Author(s)
      A.Takeuchi
    • Journal Title

      Journal of Materials Research

      Volume: 45 Pages: 4898-4905

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Local Atomic Arrangements of Pd-Based Bulk Metallic Glasses of the Metal-Metallord Type Demonstrated by Molecular Dynamics Simulations2010

    • Author(s)
      A.Takeuchi
    • Journal Title

      Materials Science Forum

      Volume: 654-656 Pages: 1038-1041

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] High Entropy State of Orientationally-Disordered Clusters in Zr-Based Bulk Metallic Glass2010

    • Author(s)
      A.Takeuchi
    • Journal Title

      Progress in Natural Science

      Volume: 20 Pages: 87-96

    • Related Report
      2010 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Zr_<60>Al_<15>(Ni, Cu)_<25> noncrystalline Alloys Created by Referring to Ionic Arrangements of a Garnet Structure with Molecular Dynamics Simulations Based on a Plastic Crystal Model2010

    • Author(s)
      A.Takeuchi
    • Journal Title

      Intermetallics 17

      Pages: 330-341

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Vogel-Fulcher-Tammann plot for viscosity scaled with temperature interval between actual and ideal glass transitions for metallic glasses in liquid and supercooled liquid states2010

    • Author(s)
      A.Takeuchi
    • Journal Title

      Intermetallics 18

      Pages: 406-411

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Golden Mean Analysis of Bulk Metallic Glasses with Critical Diameter over Half-Inch for their Mole Fractions of Compositions2009

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

      Intermetallics

      Volume: 17 Pages: 696-703

    • Related Report
      2011 Final Research Report
    • Peer Reviewed
  • [Journal Article] Golden Mean Analysis of Bulk Metallic Glasses with Critical Diameter over Half-Inch for their Mole Fractions of Compositions2009

    • Author(s)
      A.Takeuchi
    • Journal Title

      Intermetallics 17

      Pages: 696-703

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Presentation] Alloy Design for High-Entropy Bulk Glassy Alloys2011

    • Author(s)
      A. Takeuchi, N. Chen, T. Wada, Y. Yokoyama, H. Kato, A. Inoue and J.-W. Yeh
    • Organizer
      12th IUMRS International Conference in Asia (IUMRS-ICA2011)
    • Place of Presentation
      Taipei, Taiwan
    • Year and Date
      2011-09-20
    • Related Report
      2011 Final Research Report
  • [Presentation] Alloy Design for High-Entropy Bulk Glassy Alloys2011

    • Author(s)
      A.Takeuchi
    • Organizer
      12th IUMRS International Conference in Asia (IUMRS-ICA2011)
    • Place of Presentation
      Taipei, Taiwan(招待講演)
    • Year and Date
      2011-09-20
    • Related Report
      2011 Annual Research Report
  • [Presentation] Compositional Features of Bulk Metallic Glasses Analyzed with Tetrahedral Composition Diagram from s-, p-, d-and f-Blocks2011

    • Author(s)
      A. Takeuchi and A. Inoue
    • Organizer
      The 14th International Conference on Rapidly Quenched and Metastable Materials (RQ 14)
    • Place of Presentation
      Salvador, Brazil
    • Year and Date
      2011-09-01
    • Related Report
      2011 Final Research Report
  • [Presentation] Compositional Features of Bulk Metallic Glasses Analyzed with Tetrahedral Composition Diagram from s-, p-, d- and f-Blocks2011

    • Author(s)
      A.Takeuchi
    • Organizer
      The 14th International Conference on Rapidly Quenched and Metastable Materials (RQ 14)
    • Place of Presentation
      Salvador, Brazil(招待講演)
    • Year and Date
      2011-09-01
    • Related Report
      2011 Annual Research Report
  • [Presentation] Molecular Dynamics Simulations Based on Plastic Crystal Model with Introducing United Atom Scheme Demonstrated for Zr_2Ni Metallic Glass2011

    • Author(s)
      A. Takeuchi and A. Inoue
    • Organizer
      International Conference on PROCESSING & MANUFACTURING OF ADVANCED MATERIALS (THERMEC' 2011)
    • Place of Presentation
      Quebec, Canada
    • Year and Date
      2011-08-02
    • Related Report
      2011 Final Research Report
  • [Presentation] Molecular Dynamics Simulations Based on Plastic Crystal Model with Introducing United Atom Scheme Demonstrated for Zr_2Ni Metallic Glass2011

    • Author(s)
      A.Takeuchi
    • Organizer
      International Conference on PROCESSING & MANUFACTURING OF ADVANCED MATERIALS (THERMEC'2011)
    • Place of Presentation
      Quebec, Canada(招待講演)
    • Year and Date
      2011-08-02
    • Related Report
      2011 Annual Research Report
  • [Presentation] Bulk Metallic Glasses with High Entropy States2011

    • Author(s)
      A.Takeuchi
    • Organizer
      4th Discussion Meeting on Glass Transition (4th DMGT 2011)
    • Place of Presentation
      Sendai, Japan
    • Year and Date
      2011-03-01
    • Related Report
      2010 Annual Research Report
  • [Presentation] High Entropy State of Orientationally-Disordered Clusters in Zr-Based Bulk Metallic Glass2010

    • Author(s)
      A. Takeuchi, M. Ogata and A. Inoue
    • Organizer
      11th IUMRS International Conference in Asia(IUMRS-ICA 2010)
    • Place of Presentation
      Qingdao, China
    • Year and Date
      2010-09-26
    • Related Report
      2011 Final Research Report
  • [Presentation] High Entropy State of Orientationally-Disordered Clusters in Zr-Based Bulk Metallic Glass2010

    • Author(s)
      A.Takeuchi
    • Organizer
      11th IUMRS International Conference in Asia (IUMRS-ICA 2010)
    • Place of Presentation
      Qingdao, China
    • Year and Date
      2010-09-26
    • Related Report
      2010 Annual Research Report
  • [Presentation] Local Atomic Arrangements of Pd-Based Bulk Metallic Glasses in Metal-Metalloid TypeDemonstrated by Molecular Dynamics Simulations2010

    • Author(s)
      A.Takeuchi
    • Organizer
      The 7th Pacific Rim International Conference on Advanced Materials and Processing (PRICM7)
    • Place of Presentation
      Cairns, Australia
    • Year and Date
      2010-08-03
    • Related Report
      2010 Annual Research Report
  • [Presentation] 三状態二分子可逆反応モデルに基づく金属ガラスのガラス遷移現象の解明2010

    • Author(s)
      竹内章
    • Organizer
      日本金属学会、2010年春期(第146回)大会
    • Place of Presentation
      筑波大学、つくば市
    • Year and Date
      2010-03-29
    • Related Report
      2009 Annual Research Report
  • [Presentation] Critically-Percolated Cluster-Packed Structure in Zr-Al-Ni Bulk Metallic Glass Created with Molecular Dynamics Simulations Based on Plastic Crystal Model2009

    • Author(s)
      A. Takeuchi, K. Yubuta and A. Inoue
    • Organizer
      11th International Conference on Advanced Materials (ICAM2009)
    • Place of Presentation
      Rio de Janeiro, Brazil
    • Year and Date
      2009-09-21
    • Related Report
      2011 Final Research Report
  • [Presentation] Critically-Percolated Cluster-Packed Structure in Zr-Al-Ni Bulk Metallic Glass Created with Molecular Dynamics Simulations Based on Plastic Crystal Model2009

    • Author(s)
      竹内章
    • Organizer
      11th International Conference on Advanced Materials(ICAM2009)
    • Place of Presentation
      Rio de Janeiro, Brazil
    • Year and Date
      2009-09-21
    • Related Report
      2009 Annual Research Report
  • [Presentation] 臨界パーコレーション濃度のクラスター充填局所原子構造をもつ金属ガラスの分子動力学シミュレーション2009

    • Author(s)
      竹内章
    • Organizer
      日本金属学会、2009年秋期(第145回)大会
    • Place of Presentation
      京都大学、京都市
    • Year and Date
      2009-09-15
    • Related Report
      2009 Annual Research Report
  • [Presentation] Critically-Percolated Cluster-Packed Structure in Cu-Zr Binary Bulk Metallic Glass2009

    • Author(s)
      A. Takeuchi and A. Inoue
    • Organizer
      International Symposium on Metastable, Amorphous and Nanostructured Materials
    • Place of Presentation
      Beijing, China
    • Year and Date
      2009-07-06
    • Related Report
      2011 Final Research Report 2009 Annual Research Report
  • [Book] Physical Properties of Ternary Amorphous Alloys, Phase Diagrams and Physical Properties of Nonequilibrium Alloys, Systems from Ag-Al-Ca to Au-Pd-Si2011

    • Author(s)
      A. Takeuchi, D. V. Louzguine and U.
    • Publisher
      Springer-Verlag
    • Related Report
      2011 Final Research Report
  • [Book] Physical Properties of Ternary Amorphous Alloys, Phase Diagrams and Physical Properties of Nonequilibrium Alloys, Systems from B-Be-Fe to Co-W-Zr2011

    • Author(s)
      A. Takeuchi, D. V. Louzguine and U.
    • Publisher
      Springer-Verlag
    • Related Report
      2011 Final Research Report
  • [Book] Physical Properties of Ternary Amorphous Alloys, Phase Diagrams and Physical Properties of Nonequilibrium Alloys, Systems from Cr-Fe-P to Si-W-Zr2011

    • Author(s)
      A. Takeuchi, D. V. Louzguine and U.
    • Publisher
      Springer-Verlag
    • Related Report
      2011 Final Research Report
  • [Book] Physical Properties of Ternary Amorphous Alloys, Phase Diagrams and Physical Properties of Nonequilibrium Alloys, Systems from Ag-Al-Ca to Au-Pd-Si2011

    • Author(s)
      A.Takeuchi
    • Publisher
      Springer-Verlag
    • Related Report
      2011 Annual Research Report
  • [Book] Physical Properties of Ternary Amorphous Alloys, Phase Diagrams and Physical Properties of Nonequilibrium Alloys, Systems from B-Be-Fe to Co-W-Zr2011

    • Author(s)
      A.Takeuchi
    • Publisher
      Springer-Verlag
    • Related Report
      2011 Annual Research Report
  • [Book] Physical Properties of Ternary Amorphous Alloys, Phase Diagrams and Physical Properties of Nonequilibrium Alloys, Systems from Cr-Fe-P to Si-W-Zr2011

    • Author(s)
      A.Takeuchi
    • Publisher
      Springer-Verlag
    • Related Report
      2011 Annual Research Report

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Published: 2009-04-01   Modified: 2016-04-21  

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