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Rheology of Metallic Glasses: Computational Approach to Anankeon Kinetics

Planned Research

Project AreaRheology of disordered materials: Establishing Anankeon dynamics
Project/Area Number 22H05041
Research Category

Grant-in-Aid for Transformative Research Areas (B)

Allocation TypeSingle-year Grants
Review Section Transformative Research Areas, Section (II)
Research InstitutionToyota Technological Institute

Principal Investigator

Shiihara Yoshinori  豊田工業大学, 工学(系)研究科(研究院), 准教授 (90466855)

Co-Investigator(Kenkyū-buntansha) Ivan Lobzenko  国立研究開発法人日本原子力研究開発機構, 原子力科学研究部門 原子力科学研究所 原子力基礎工学研究センター, 博士研究員 (30802293)
Project Period (FY) 2022-05-20 – 2025-03-31
Project Status Completed (Fiscal Year 2024)
Budget Amount *help
¥26,260,000 (Direct Cost: ¥20,200,000、Indirect Cost: ¥6,060,000)
Fiscal Year 2024: ¥8,710,000 (Direct Cost: ¥6,700,000、Indirect Cost: ¥2,010,000)
Fiscal Year 2023: ¥8,710,000 (Direct Cost: ¥6,700,000、Indirect Cost: ¥2,010,000)
Fiscal Year 2022: ¥8,840,000 (Direct Cost: ¥6,800,000、Indirect Cost: ¥2,040,000)
Keywords金属ガラス / 塑性変形 / 分子動力学法 / アモルファス / 変形素子 / 非平衡系 / 第一原理計算 / 機械学習 / 分子動力学 / アナンケオン / ニューラルネットワーク / 塑性 / 原子応力
Outline of Research at the Start

ガラスはその非晶質性から卓越した材料機能を持つ.ガラスの産業利用を拡大するには,容易に割れないように塑性能を付加することが必要不可欠である.しかしながら,ガラスの塑性能発現機構は未解明である.原子レベルの不可逆的構造変化が集団的に励起され相互作用することがすべり帯の発生に繋がると考えられているが,その原子レベルの励起子の素性が明らかでない.本研究では,この励起子をアナンケオンと呼称し,その正体を解明する.一体どのような原子構造・幾何構造・電子構造を持つものか,どのように相互作用し集団励起へと発展するのかを明らかとする.

Outline of Final Research Achievements

This study aims to explore the plastic deformation units in metallic glasses, which have remained poorly understood. Although shear transformation zones (STZs) that evolve into shear bands have long been considered such units, their precise identification has remained ambiguous. In this work, we developed a novel approach called the “frozen atom method” and successfully detected the cooperative atomic motions for the first time. We named this element the STZ core. Applying this method to a CuZr metallic glass, we found that the STZ core consists of approximately 10-100 atoms. Its mechanical properties do not show a distinct difference from the surrounding atoms, its size is independent of the magnitude of the stress drop or the applied strain, and its response is nonlinear and transient.

Academic Significance and Societal Importance of the Research Achievements

本研究は,長年不明瞭であった金属ガラスの塑性変形単位の本質が協調運動であることを明確にした.単なる事後解析ではなく,協調運動そのものを検出できるという点に原子凍結法の新規性がある.様々な組成を有する金属ガラスにおいてそのSTZコアをより深く調査・解析することを通じて,それらでのSTZの起こりやすさを明らかとでき,ひいてはそこで起こる塑性現象の理解へ大きく貢献できる.そこで得られる知見は,強靱で長寿命のガラス質材料の設計指針となる.本手法はその他の非晶質材へも展開できる,そのことを通じて,幅広い産業や研究分野での技術進展およびイノベーションの促進が期待される.

Report

(4 results)
  • 2024 Annual Research Report   Final Research Report ( PDF )
  • 2023 Annual Research Report
  • 2022 Annual Research Report
  • Research Products

    (12 results)

All 2025 2024 2023 Other

All Int'l Joint Research (2 results) Journal Article (3 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 3 results,  Open Access: 2 results) Presentation (5 results) (of which Int'l Joint Research: 3 results,  Invited: 1 results) Remarks (2 results)

  • [Int'l Joint Research] Oak Ridge National Laboratory/University of Tennessee at Knoxville(米国)

    • Related Report
      2024 Annual Research Report
  • [Int'l Joint Research] University of Tennessee/Oak Ridge National Laboratory(米国)

    • Related Report
      2023 Annual Research Report
  • [Journal Article] Implementation of Atomic Stress Calculations with Artificial Neural Network Potentials2023

    • Author(s)
      Lobzenko Ivan、Tsuru Tomohito、Mori Hideki、Matsunaka Daisuke、Shiihara Yoshinori
    • Journal Title

      MATERIALS TRANSACTIONS

      Volume: 64 Issue: 10 Pages: 2481-2488

    • DOI

      10.2320/matertrans.MT-M2023093

    • ISSN
      1345-9678, 1347-5320
    • Year and Date
      2023-10-01
    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] First-principles atomic level stresses: application to a metallic glass under shear2023

    • Author(s)
      Ivan Lobzenko, Tomohito Tsuru, Yoshinori Shiihara, Takuya Iwashita
    • Journal Title

      Materials Research Express

      Volume: 10 Issue: 8 Pages: 085201-085201

    • DOI

      10.1088/2053-1591/acf2da

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Influence of group IV element on basic mechanical properties of BCC medium-entropy alloys using machine-learning potentials2023

    • Author(s)
      Lobzenko Ivan、Shiihara Yoshinori、Mori Hideki、Tsuru Tomohito
    • Journal Title

      Computational Materials Science

      Volume: 219 Pages: 112010-112010

    • DOI

      10.1016/j.commatsci.2023.112010

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] Molecular Dynamics Simulation Identifying Deformation Elements in Metallic Glass2025

    • Author(s)
      Yoshinori Shiihara, Takuya Iwashita
    • Organizer
      Eleventh international conference on Materials Structure and Micromechanics of Fracture
    • Related Report
      2024 Annual Research Report
  • [Presentation] Identification of Deformation Elements in Metallic Glasses through Frozen Atom Analysis2025

    • Author(s)
      Yoshinori Shiihara, Takuya Iwashita
    • Organizer
      International Conference on PROCESSING & MANUFACTURING OF ADVANCED MATERIALS Processing, Fabrication, Properties, Applications
    • Related Report
      2024 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Exploring Plastic Deformation Elements in Metallic Glasses through Molecular Dynamics Simulations2024

    • Author(s)
      Yoshinori Shiihara, Takuya Iwashita
    • Organizer
      The 30th International Conference on Computational & Experimental Engineering and Sciences
    • Related Report
      2024 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Identifying and Characterizing Deformation Elements in Metallic Glasses through Molecular Dynamics2024

    • Author(s)
      Yoshinori Shiihara, Takuya Iwashita
    • Organizer
      The 11th Inernational Conference on Multiscale Materials Modeling
    • Related Report
      2024 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 変位・応力・結合解析:金属ガラスの応力緩和現象2024

    • Author(s)
      谷口慈英,椎原良典
    • Organizer
      第34回日本MRS年次大会
    • Related Report
      2024 Annual Research Report
  • [Remarks] プレプリント

    • URL

      https://arxiv.org/abs/2503.14903

    • Related Report
      2024 Annual Research Report
  • [Remarks] 構造不規則系のレオロジー: アナンケオン動力学の確立

    • URL

      https://www.anankeon.com/

    • Related Report
      2022 Annual Research Report

URL: 

Published: 2022-05-25   Modified: 2026-01-16  

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