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The microscopic origin of slow dynamics and non-equilibrium phase transition in structural glass systems from the viewpoint of dynamic facilitation

Research Project

Project/Area Number 20K03785
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 13010:Mathematical physics and fundamental theory of condensed matter physics-related
Research InstitutionNagoya Institute of Technology

Principal Investigator

Isobe Masaharu  名古屋工業大学, 工学(系)研究科(研究院), 准教授 (80359760)

Project Period (FY) 2020-04-01 – 2024-03-31
Project Status Completed (Fiscal Year 2023)
Budget Amount *help
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2022: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2021: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2020: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
Keywords動的ファシリテーション / 構造ガラス / 遅い緩和 / 非平衡相転移 / 分子動力学法 / 局所構造解析
Outline of Research at the Start

高密分子・ガラス系の「相転移」や遅い緩和に関する「神秘な物性」の解明は、大きな難問となっている。近年、人間が構成する組織を活性化し協働促進させる「ファシリテーション」が注目を集めているが、分子が構成するガラス系でも「ファシリテーション」が起こるとする独創的な理論が提唱され注目を集めている。ガラス転移近傍で起こる現象は、長年研究されてきた有力な理論と同程度に説明でき、大きな論争となっている。本研究では,高密剛体球系を解析するオリジナルな方法論を基礎に、分子シミュレーションとコロイド実験の双方から構造ガラスをめぐる「遅い緩和」の微視的機構を解明し、理論の検証を国際研究協力体制にてめざす。

Outline of Final Research Achievements

In the field of glass and jamming transitions, unified concepts of slow relaxation have been actively studied. Despite efforts from various perspectives, no definitive concepts or theories exist, and numerous theories and methodologies have been created, continuing to fascinate researchers worldwide. In this study, utilizing efficient methodologies for analyzing high-density hard-sphere systems from the viewpoint of the concepts of "freezing", "free energy", and "facilitation", we aimed to elucidate the "microscopic origins" of slow relaxation and "non-equilibrium phase transitions" in structural glass systems.

Academic Significance and Societal Importance of the Research Achievements

近年,人間組織における「ファシリテーション」が注目される中,分子ガラス系でも「ファシリテーション」の存在を示唆する独創的な理論が提唱され,大きな論争となっている.本研究では,新しい方法論を基礎に,国際協力体制で分子シミュレーションとコロイド実験の双方から,剛体球モデル系における構造ガラス系の「遅い緩和」の微視的機構を探求した.開発された計算手法は高密度分子系の構造解析に広く応用可能であり,準空隙駆動ひも状ホッピング連鎖運動の発見はガラス形成物質の基礎理論に重要な知見を与えると考えられる.これらの成果は,ガラスの材料設計や制御,粉体工学,ソフトマター物理学など幅広い分野への応用が期待される.

Report

(5 results)
  • 2023 Annual Research Report   Final Research Report ( PDF )
  • 2022 Research-status Report
  • 2021 Research-status Report
  • 2020 Research-status Report
  • Research Products

    (65 results)

All 2024 2023 2022 2021 2020 Other

All Int'l Joint Research (4 results) Journal Article (7 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 6 results,  Open Access: 6 results) Presentation (52 results) (of which Int'l Joint Research: 22 results,  Invited: 2 results) Book (1 results) Remarks (1 results)

  • [Int'l Joint Research] 香港理工大学/ハルビン工業大学深セン校(中国)

    • Related Report
      2023 Annual Research Report
  • [Int'l Joint Research] エコールノルマルシュペリウール(フランス)

    • Related Report
      2023 Annual Research Report
  • [Int'l Joint Research] FAU(ドイツ)

    • Related Report
      2023 Annual Research Report
  • [Int'l Joint Research] 香港理工大学/ハルビン工業大学深セン校/香港科技大学(中国)

    • Related Report
      2020 Research-status Report
  • [Journal Article] Newtonian Event-Chainモンテカルロ法を用いた 剛体三角粒子系の相転移2024

    • Author(s)
      白井知樹,麦田大悟,礒部雅晴
    • Journal Title

      第29回 交通流と自己駆動粒子系 シンポジウム 論文集

      Volume: 28 Pages: 49-52

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] 剛体円板を用いた自己駆動粒子系の相転移点シフト2023

    • Author(s)
      村瀬信明,礒部雅晴
    • Journal Title

      第28回 交通流と自己駆動粒子系 シンポジウム論文集

      Volume: 28 Pages: 9-11

    • Related Report
      2022 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Diffusional characteristics of a Newtonian event-chain Monte Carlo in hard disk systems2022

    • Author(s)
      Banno H、Mugita D、Isobe M
    • Journal Title

      Journal of Physics: Conference Series

      Volume: 2207 Issue: 1 Pages: 012011-012011

    • DOI

      10.1088/1742-6596/2207/1/012011

    • Related Report
      2021 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Molecular dynamics study of a nano-scale β-type Stirling engine2022

    • Author(s)
      Kitaya K、Isobe M
    • Journal Title

      Journal of Physics: Conference Series

      Volume: 2207 Issue: 1 Pages: 012006-012006

    • DOI

      10.1088/1742-6596/2207/1/012006

    • Related Report
      2021 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Berni J. Alder博士を偲んで2021

    • Author(s)
      礒部 雅晴
    • Journal Title

      Butsuri

      Volume: 76 Issue: 4 Pages: 236-236

    • DOI

      10.11316/butsuri.76.4_236

    • NAID

      130008021620

    • ISSN
      0029-0181, 2423-8872
    • Year and Date
      2021-04-05
    • Related Report
      2021 Research-status Report
  • [Journal Article] Non-equilibrium response and slow equilibration in hard disk systems2021

    • Author(s)
      Mugita Daigo、Isobe Masaharu
    • Journal Title

      EPJ Web of Conferences

      Volume: 249 Pages: 14004-14004

    • DOI

      10.1051/epjconf/202124914004

    • Related Report
      2021 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Direct Evidence of Void-Induced Structural Relaxations in Colloidal Glass Formers2020

    • Author(s)
      C.-T. Yip, M. Isobe, C.-H. Chan, S. Ren, K.-P. Wong, Q. Huo, C.-S. Lee, Y.-H. Tsang, Y. Han, C.-H. Lam
    • Journal Title

      Physical Review Letters

      Volume: 125 Issue: 25 Pages: 258001-258001

    • DOI

      10.1103/physrevlett.125.258001

    • Related Report
      2020 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Presentation] Free volume estimator (NELF-A) in dense poly-disperse hard disk systems --- local structure analysis on pressure and inherent structure2023

    • Author(s)
      Daigo Mugita, Kazuyoshi Souno, Hiromasa Koyama, Masaharu Isobe
    • Organizer
      CCP2023 - 34th IUPAP Conference on Computational Physics
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Karman Vortex around Obstacle with Active Brownian Particles2023

    • Author(s)
      Koji Iwase, Masaharu Isobe
    • Organizer
      CCP2023 - 34th IUPAP Conference on Computational Physics
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Free volume estimator (NELF-A) in dense poly-disperse hard disk systems --- local structure analysis on pressure and inherent structure2023

    • Author(s)
      Daigo Mugita, Kazuyoshi Souno, Hiromasa Koyama, Masaharu Isobe
    • Organizer
      28th International Conference on Statistical Physics
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Statistical properties of Microstring Activation in Deeply Supercooled Liquids of Binary Hard Disk Systems2023

    • Author(s)
      Motoki Wakita, Ryohei Hanai, Yuito Kakihara, Cho-Tung Yip, Chi-Hang Lam, Masaharu Isobe
    • Organizer
      9IDMRCS
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Prediction of a Trigger of Hopping Motion in Deeply Supercooled Liquid of Binary Hard Disk Systems2023

    • Author(s)
      Ryohei Hanai, Cho-Tung Yip, Chi-Hang Lam, Masaharu Isobe
    • Organizer
      9IDMRCS
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Quasivoid-Induced Structural Relaxation in Colloidal Glass Formers: Microscopic origin of stringlike Motions2023

    • Author(s)
      Cho-Tung Yip, Chor-Hoi Chan, Masaharu Isobe, Chi-Hang Lam
    • Organizer
      9IDMRCS
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Active glass transition in poly-disperse self-propelled particle systems2023

    • Author(s)
      Nodoka Inaba, Koji Iwase, Masaharu Isobe
    • Organizer
      The 7th International Soft Matter Conference
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Diffusional characteristics of a Newtonian Event-Chain Monte Carlo in hard polygon systems2023

    • Author(s)
      Tomoki Shirai, Daigo Mugita, Masaharu Isobe
    • Organizer
      The 7th International Soft Matter Conference
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Simple and efficient methods on local structure analysis in dense poly-disperse hard disk systems2023

    • Author(s)
      Daigo Mugita, Kazuyoshi Souno,Hiroaki Koyama, Masaharu Isobe
    • Organizer
      The 9th International Conference on Discrete Element Methods
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Cooperative phenomena in active matter systems with alternative interaction of neighbors2023

    • Author(s)
      Taisei Nakamura, Masaharu Isobe
    • Organizer
      The 9th International Conference on Discrete Element Methods
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Newtonian Event-Chain モンテカルロ法を用いた2次元剛体多角粒子系の相転移2023

    • Author(s)
      白井知樹,麦田大悟,礒部雅晴
    • Organizer
      第29回交通流と自己駆動粒子系のシンポジウム
    • Related Report
      2023 Annual Research Report
  • [Presentation] 多分散自己駆動粒子系におけるアクティブガラスと非平衡相転移2023

    • Author(s)
      稲葉和香, 岩瀬晃司, 礒部雅晴
    • Organizer
      第37回分子シミュレーション討論会
    • Related Report
      2023 Annual Research Report
  • [Presentation] 2成分剛体円板ガラス系における深層過冷却状態での局所構造とホッピング予測2023

    • Author(s)
      華井 凌平, Cho-Tung Yip, Chi-Hang Lam, 礒部 雅晴
    • Organizer
      第37回分子シミュレーション討論会
    • Related Report
      2023 Annual Research Report
  • [Presentation] 障害物周りのアクティブブラウン粒子流の渦形成と結晶化2023

    • Author(s)
      岩瀬晃司、礒部雅晴
    • Organizer
      第37回数値流体力学シンポジウム
    • Related Report
      2023 Annual Research Report
  • [Presentation] 異なる近接相互作用を用いたVicsekモデル系における協働現象2023

    • Author(s)
      中村泰晴,村瀬信明,礒部雅晴
    • Organizer
      日本物理学会2024年春季大会オンライン
    • Related Report
      2023 Annual Research Report
  • [Presentation] Newtonian Event-Chain モンテカルロ法を用いた自己駆動剛体多角粒子系の相転移2023

    • Author(s)
      徳吉泰紀,白井知樹,麦田大悟,礒部雅晴
    • Organizer
      日本物理学会2024年春季大会オンライン
    • Related Report
      2023 Annual Research Report
  • [Presentation] 2 次元自己駆動粉体気体系の自己組織化と空間不均一性2023

    • Author(s)
      北川遼,村瀬信明,麦田大悟,礒部雅晴
    • Organizer
      日本物理学会2024年春季大会オンライン
    • Related Report
      2023 Annual Research Report
  • [Presentation] Cavity駆動アンサンブルを用いた剛体円板ガラス系における深層過冷却状態のホッピング予測2023

    • Author(s)
      齋藤稜太,華井凌平,礒部雅晴
    • Organizer
      日本物理学会2024年春季大会オンライン
    • Related Report
      2023 Annual Research Report
  • [Presentation] 剛体円板ガラス系の深層過冷却液体状態におけるホッピング解析 ―自由体積とinherent 構造―2023

    • Author(s)
      麦田大悟,宗野和祥,礒部雅晴
    • Organizer
      日本物理学会2024年春季大会オンライン
    • Related Report
      2023 Annual Research Report
  • [Presentation] 剛体球系の相転移-アルダー転移と分子シミュレーションの発展-2023

    • Author(s)
      礒部雅晴
    • Organizer
      2022年度理学談話会(計算科学分野)金沢大学
    • Related Report
      2022 Research-status Report
    • Invited
  • [Presentation] Anomalous phase transition in self-propelled hard disk systems2023

    • Author(s)
      Nobuaki Murase, Taisei Nakamura, Masaharu Isobe
    • Organizer
      Japan-France joint seminar "Physics of dense and active disordered materials"
    • Related Report
      2022 Research-status Report
    • Int'l Joint Research
  • [Presentation] Local structure analysis on pressure and inherent structure usingthe free volume estimator (NELF-A) in dense poly-disperse hard disk systems2023

    • Author(s)
      Daigo Mugita, Kazuyoshi Souno, Hiromasa Koyama, Masaharu Isobe
    • Organizer
      Japan-France joint seminar "Physics of dense and active disordered materials"
    • Related Report
      2022 Research-status Report
    • Int'l Joint Research
  • [Presentation] Karman vortex around the obstacle with Active Brownian particles2023

    • Author(s)
      Koji Iwase, Masaharu Isobe
    • Organizer
      Japan-France joint seminar "Physics of dense and active disordered materials"
    • Related Report
      2022 Research-status Report
    • Int'l Joint Research
  • [Presentation] Newtonian Event-Chainモンテカルロ法による剛体多角粒子系の拡散特性2023

    • Author(s)
      白井知樹,麦田大悟,礒部雅晴
    • Organizer
      日本物理学会2023年春季大会オンライン
    • Related Report
      2022 Research-status Report
  • [Presentation] 2成分剛体円板ガラス系におけるHopping鎖運動の統計則2023

    • Author(s)
      脇田元樹, 華井凌平, 柿原唯人, 礒部雅晴
    • Organizer
      日本物理学会2023年春季大会オンライン
    • Related Report
      2022 Research-status Report
  • [Presentation] 高速自由体積計算法(NELF-A)を用いた高密度多分散分子系の局所構造解析 -圧力分布とInherent構造-2023

    • Author(s)
      麦田大悟, 宗野和祥, 児山弘昌, 礒部雅晴
    • Organizer
      日本物理学会2023年春季大会オンライン
    • Related Report
      2022 Research-status Report
  • [Presentation] Efficiency of Newtonian Event-Chain Monte Carlo in dense hard disk systems2022

    • Author(s)
      Daigo Mugita, Masaharu Isobe
    • Organizer
      33rd IUPAP Conference on Computational Physics (Online)
    • Related Report
      2022 Research-status Report
    • Int'l Joint Research
  • [Presentation] Simple method on free area calculation using the intersection of excluded volume in poly-disperse hard disk systems2022

    • Author(s)
      Kazuyoshi Souno, Daigo Mugita, Masaharu Isobe
    • Organizer
      33rd IUPAP Conference on Computational Physics (Online)
    • Related Report
      2022 Research-status Report
    • Int'l Joint Research
  • [Presentation] 新しい自由体積計算法(NELF-A法)を用いた高密度分子系の統計的解析2022

    • Author(s)
      宗野和祥、麦田大悟、礒部雅晴
    • Organizer
      日本物理学会2022年秋季大会
    • Related Report
      2022 Research-status Report
  • [Presentation] 高密度2次元剛体球系におけるNewtonian Event-Chainモンテカルロ法の拡散特性2022

    • Author(s)
      麦田大悟,礒部雅晴
    • Organizer
      日本物理学会2022年秋季大会
    • Related Report
      2022 Research-status Report
  • [Presentation] Newtonian Event-Chainモンテカルロ法の平衡緩和 ー高密度2次元剛体球系で生じるホッピング鎖の拡散特性ー2022

    • Author(s)
      麦田大悟, 礒部雅晴
    • Organizer
      第10回ソフトマター研究会
    • Related Report
      2022 Research-status Report
  • [Presentation] 剛体円板を用いた自己駆動粒子系の相転移シフト2022

    • Author(s)
      村瀬信明, 礒部雅晴
    • Organizer
      第28回交通流・自己駆動粒子系シンポジウム
    • Related Report
      2022 Research-status Report
  • [Presentation] Newtonian Event-Chainモンテカルロ法の平衡緩和 ー高密度2次元剛体球系で生じるホッピング鎖の拡散特性ー2022

    • Author(s)
      麦田大悟, 礒部雅晴
    • Organizer
      第36回分子シミュレーション討論会
    • Related Report
      2022 Research-status Report
  • [Presentation] イベント鎖モンテカルロ法の平衡緩和-拡散特性の方法論依存性-2022

    • Author(s)
      麦田大悟,阪納洋啓,礒部雅晴
    • Organizer
      日本物理学会第77回年次大会 (オンライン開催)
    • Related Report
      2021 Research-status Report
  • [Presentation] 剛体円板を用いた自己駆動粒子系の空間相関と相転移2022

    • Author(s)
      村瀬信明, 礒部雅晴
    • Organizer
      日本物理学会第77回年次大会 (オンライン開催)
    • Related Report
      2021 Research-status Report
  • [Presentation] 高次近接粒子を用いた新しい自由体積計算法と構造ガラス系への応用2022

    • Author(s)
      宗野和祥, 柿原唯人, 礒部雅晴
    • Organizer
      日本物理学会第77回年次大会 (オンライン開催)
    • Related Report
      2021 Research-status Report
  • [Presentation] Non-equilibrium response and slow equilibration in hard disk systems2021

    • Author(s)
      Daigo Mugita, Masaharu Isobe
    • Organizer
      Online workshop on ECMC and related subjects (Online)
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] Equilibration in Event-Chain MC, Event-Driven MD, and other methods2021

    • Author(s)
      Masaharu Isobe
    • Organizer
      Online workshop on ECMC and related subjects (Online)
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Non-equilibrium response and slow equilibration in hard disk systems2021

    • Author(s)
      Daigo Mugita, Masaharu Isobe
    • Organizer
      Powders & Grains 2021 (Buenos Aires (Argentina, VIRTUAL))
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] Statistics of the hopping motion approaching the glass transition in the binary hard disk systems2021

    • Author(s)
      Yuito Kakihara, Hiroaki Koyama, Masaharu Isobe
    • Organizer
      XXXII IUPAP Conference on Computational Physics (Coventry University, Coventry, UK (Online))
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] Diffusional characteristics of Newtonian Event-Chain Monte Carlo in hard disk systems2021

    • Author(s)
      Hirotaka Banno, Daigo Mugita, Masaharu Isobe
    • Organizer
      XXXII IUPAP Conference on Computational Physics (Coventry University, Coventry, UK (Online))
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] Efficiency of equilibration with three event-based algorithms in hard disk melting2021

    • Author(s)
      Daigo Mugita, Masaharu Isobe
    • Organizer
      XXXII IUPAP Conference on Computational Physics (Coventry University, Coventry, UK (Online))
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] Molecular dynamics study on the nano-scale beta-type Stirling engine2021

    • Author(s)
      Kaito Kitaya, Masaharu Isobe
    • Organizer
      XXXII IUPAP Conference on Computational Physics (Coventry University, Coventry, UK (Online))
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] 2次元剛体球系Alder転移近傍における平衡緩和―融解過程の方法論依存性―2021

    • Author(s)
      麦田大悟, 礒部雅晴
    • Organizer
      日本物理学会 2021年秋季大会 (オンライン)
    • Related Report
      2021 Research-status Report
  • [Presentation] 剛体円板を用いた自己駆動粒子系の相転移2021

    • Author(s)
      村瀬信明, 礒部雅晴
    • Organizer
      第 35 回分子シミュレーション討論会 (オンライン)
    • Related Report
      2021 Research-status Report
  • [Presentation] 高次近接粒子を用いた自由体積計算法と構 造ガラス系への応用2021

    • Author(s)
      宗野和祥, 礒部雅晴
    • Organizer
      第 35 回分子シミュレーション討論会 (オンライン)
    • Related Report
      2021 Research-status Report
  • [Presentation] Newtonian Event-Chain モンテカルロ法の 平衡緩和と拡散特性2021

    • Author(s)
      阪納洋啓, 麦田大悟, 礒部雅晴
    • Organizer
      第 35 回分子シミュレーション討論会 (オンライン)
    • Related Report
      2021 Research-status Report
  • [Presentation] 2成分剛体円板ガラス系におけるHopping鎖運動と準空隙分布の相関2021

    • Author(s)
      柿原唯人,児山弘昌,礒部雅晴
    • Organizer
      日本物理学会第76回年次大会 (オンライン開催)
    • Related Report
      2020 Research-status Report
  • [Presentation] 2次元剛体球系Alder転移近傍における非平衡応答と遅い緩和2021

    • Author(s)
      麦田大悟,礒部雅晴
    • Organizer
      日本物理学会第76回年次大会 (オンライン開催)
    • Related Report
      2020 Research-status Report
  • [Presentation] β型スターリングエンジンの分子シミュレーション―安定稼働する温度差と熱効率2021

    • Author(s)
      北谷海斗,礒部雅晴
    • Organizer
      日本物理学会第76回年次大会 (オンライン開催)
    • Related Report
      2020 Research-status Report
  • [Presentation] 2成分剛体円板ガラス系におけるHopping鎖運動と準空隙分布の相関2020

    • Author(s)
      柿原唯人,児山弘昌,礒部雅晴
    • Organizer
      第34回分子シミュレーション討論会 (オンライン開催)
    • Related Report
      2020 Research-status Report
  • [Presentation] 2次元剛体球系Alder転移近傍における平衡緩和-パルス膨張に対する非平衡応答-2020

    • Author(s)
      麦田大悟,礒部雅晴
    • Organizer
      第34回分子シミュレーション討論会 (オンライン開催)
    • Related Report
      2020 Research-status Report
  • [Book] コロイド結晶の形成とその応用2020

    • Author(s)
      礒部 雅晴 他 (分担執筆)(中村 浩、山中淳平 監修)
    • Total Pages
      251
    • Publisher
      シーエムシー出版
    • ISBN
      9784781315027
    • Related Report
      2020 Research-status Report
  • [Remarks] 分子の「ファシリテーション」実験でもとらえた! ―準空隙で駆動されるガラス形成物質の神秘を解明―

    • URL

      https://www.nitech.ac.jp/news/press/2020/8646.html

    • Related Report
      2020 Research-status Report

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Published: 2020-04-28   Modified: 2025-01-30  

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