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2011 Fiscal Year Final Research Report

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

Research Project

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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
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
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.

  • Research Products

    (19 results)

All 2012 2011 2010 2009

All Journal Article (10 results) (of which Peer Reviewed: 10 results) Presentation (6 results) Book (3 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

    • 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)

    • 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

    • 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

    • 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

    • 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

    • 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

    • 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

    • 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

    • 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

    • 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
  • [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
  • [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
  • [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
  • [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
  • [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
  • [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.
    • Total Pages
      1-383
    • Publisher
      Springer-Verlag
  • [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.
    • Total Pages
      1-450
    • Publisher
      Springer-Verlag
  • [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.
    • Total Pages
      1-420
    • Publisher
      Springer-Verlag

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Published: 2013-07-31  

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