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stochastic physics of disordered systems by persistent homology

Research Project

Project/Area Number 15K13530
Research Category

Grant-in-Aid for Challenging Exploratory Research

Allocation TypeMulti-year Fund
Research Field Mathematical physics/Fundamental condensed matter physics
Research InstitutionNational Institute of Advanced Industrial Science and Technology (2017)
Tohoku University (2015-2016)

Principal Investigator

Nakamura Takenobu  国立研究開発法人産業技術総合研究所, 材料・化学領域, 主任研究員 (10642324)

Project Period (FY) 2015-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Fiscal Year 2017: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2016: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2015: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Keywords統計物理学 / パーシステントホモロジー / トポロジカルデータ解析 / 確率過程 / 自由エネルギー / 自由エネルギー地形 / ガラス転移 / 反応座標 / アモルファス構造 / ガラス / ランダム系
Outline of Final Research Achievements

We have found that persistent homology is useful for describing amorphous structures. As a remarkable result, (1) it is possible to handle amorphous structures that take qualitatively different forms called silica glasses, metallic glasses in a unified way (2) a hidden structure embedded in the disordered structure can be extracted by the persistent homology. Furthermore, we have developed a framework to express the physical properties by using the method to represent disordered structure. Specifically, we have developed the the procedure to calculate free energy landscape for abstractly defined variables such as variables in persistent homology by using stochastic process.

Report

(4 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Research-status Report
  • 2015 Research-status Report
  • Research Products

    (26 results)

All 2018 2017 2016 2015 Other

All Journal Article (2 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 2 results,  Open Access: 2 results,  Acknowledgement Compliant: 1 results) Presentation (21 results) (of which Int'l Joint Research: 3 results,  Invited: 7 results) Remarks (3 results)

  • [Journal Article] Hierarchical structures of amorphous solids characterized by persistent homology2016

    • Author(s)
      Yasuaki Hiraoka, Takenobu Nakamura, Akihiko Hirata, Emerson G. Escolar, Kaname Matsue, and Yasumasa Nishiura
    • Journal Title

      Proceedings of the National Academy of Sciences of the United States of America

      Volume: 113 Issue: 26 Pages: 7035-7040

    • DOI

      10.1073/pnas.1520877113

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
  • [Journal Article] Persistent homology and many-body atomic structure for medium-range order in the glass2015

    • Author(s)
      Takenobu Nakamura, Yasuaki Hiraoka, Akihiko Hirata,Emerson G Escolar, Yasumasa Nishiura
    • Journal Title

      Nanotechnology

      Volume: 26 Issue: 30 Pages: 304001-304001

    • DOI

      10.1088/0957-4484/26/30/304001

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Open Access
  • [Presentation] 深層学習を用いたガラスの特徴的構造抽出2018

    • Author(s)
      大山 倫弘 中村壮伸
    • Organizer
      日本物理学会
    • Related Report
      2017 Annual Research Report
  • [Presentation] パーシステントホモロジーによる単成分系の構造の記述2017

    • Author(s)
      中村壮伸、白井達彦
    • Organizer
      日本物理学会
    • Related Report
      2017 Annual Research Report
  • [Presentation] パーシステントホモロジーによるガラスの微視的構造の記述2017

    • Author(s)
      中村壮伸
    • Organizer
      ソフトマターを中心とした材料科学の基礎と応用
    • Related Report
      2017 Annual Research Report 2016 Research-status Report
  • [Presentation] トポロジカルデータ解析超入門2017

    • Author(s)
      中村壮伸
    • Organizer
      レア・イベントの計算科学
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] 自由エネルギー地形を適切に与える反応座標の構成方法2017

    • Author(s)
      中村壮伸
    • Organizer
      日本物理学会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 自由エネルギー地形を適切に与える反応座標の構成方法2017

    • Author(s)
      中村壮伸
    • Organizer
      計算統計物理学研究会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 自由エネルギー地形を適切に与える反応座標の構成方法2017

    • Author(s)
      中村壮伸
    • Organizer
      分子シミュレーション討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 分子シミュレーションのための位相的データ解析Topological Data Analysis for the Molecular Dynamics Simulation2017

    • Author(s)
      中村壮伸
    • Organizer
      日本MRS年次大会
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] 超基礎からのトポロジカルデータ解析 -典型例を通じたデータの読み方と材料科学への展開-2017

    • Author(s)
      中村壮伸
    • Organizer
      MI2Iチュートリアルセミナー
    • Place of Presentation
      全日通労働組合
    • Related Report
      2016 Research-status Report
    • Invited
  • [Presentation] Persistent homology and medium range order in the glassy structure2017

    • Author(s)
      Takenobu Nakamura, Yasuaki Hiraoka, Akihiko Hirata Emerson G. Escolar, and Yasumasa Nishiura
    • Organizer
      The AIMR International Symposium 2017
    • Place of Presentation
      仙台国際センター
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] パーシステントホモロジーによる単成分系の構造の記述2017

    • Author(s)
      中村壮伸、白井達彦
    • Organizer
      日本物理学会第72回年次大会
    • Place of Presentation
      大阪大学
    • Related Report
      2016 Research-status Report
  • [Presentation] 乱れた系で起こるシアバンドのミクロな構造から見た解析2017

    • Author(s)
      白井達彦、中村壮伸
    • Organizer
      日本物理学会第72回年次大会
    • Place of Presentation
      大阪大学
    • Related Report
      2016 Research-status Report
  • [Presentation] パーシステントホモロジーによるアモルファス構造の記述2016

    • Author(s)
      中村 壮伸
    • Organizer
      統計物理学懇談会
    • Place of Presentation
      学習院大学 (東京都)
    • Year and Date
      2016-03-07
    • Related Report
      2015 Research-status Report
    • Invited
  • [Presentation] パーシステントホモロジーを用いたアモルファス構造の記述2016

    • Author(s)
      中村壮伸
    • Organizer
      第21回 高分子計算機科学研究会講座
    • Place of Presentation
      東京工業大学
    • Related Report
      2016 Research-status Report
    • Invited
  • [Presentation] パーシステントホモロジーを用いたアモルファス構造の記述2016

    • Author(s)
      中村壮伸
    • Organizer
      The 10th Mini-Symposium on Liquids (MSL2016)
    • Place of Presentation
      岡山大学
    • Related Report
      2016 Research-status Report
    • Invited
  • [Presentation] Medium range order in the amorphous material by persistent homology2016

    • Author(s)
      Takenobu Nakamura
    • Organizer
      Symposium: "Molecular dynamics of materials from assembly to fracture"
    • Place of Presentation
      Temple University
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] 対象点除去法とパーシステントホモロジーを用いた局所構造の抽出2016

    • Author(s)
      中村壮伸、白井達彦
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      金沢大学
    • Related Report
      2016 Research-status Report
  • [Presentation] パーシステントホモロジーを用いた乱れた系の構造-物性相関の探索2016

    • Author(s)
      白井達彦 中村壮伸
    • Organizer
      日本物理学会秋季大会
    • Place of Presentation
      金沢大学
    • Related Report
      2016 Research-status Report
  • [Presentation] パーシステントホモロジーによるアモルファス構造の記述2015

    • Author(s)
      中村 壮伸 平岡 裕章, 平田 秋彦, Emerson Escolar, 西浦 廉政
    • Organizer
      計算統計物理学研究会
    • Place of Presentation
      名古屋大学 (愛知県・名古屋市)
    • Year and Date
      2015-11-21
    • Related Report
      2015 Research-status Report
    • Invited
  • [Presentation] パーシステントホモロジーを用いた様々なアモルファス構造の記述2015

    • Author(s)
      中村壮伸, 平岡裕章, 平田秋彦
    • Organizer
      日本物理学会 2015年秋季大会
    • Place of Presentation
      関西大学 (大阪府・大阪市)
    • Year and Date
      2015-09-18
    • Related Report
      2015 Research-status Report
  • [Presentation] Persistent Homology and Many-Body Atomic Structure for Medium-Range Order in the Glass2015

    • Author(s)
      NAKAMURA, TAKENOBU, Hiraoka, Yasuaki, Escolar, Emerson and Nishiura, Yasumasa
    • Organizer
      ICIAM2015
    • Place of Presentation
      Beijing (China)
    • Year and Date
      2015-08-14
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research
  • [Remarks] Diffeomorphism invariant free-energy

    • URL

      https://arxiv.org/abs/1803.09034

    • Related Report
      2017 Annual Research Report
  • [Remarks] Description of yielding in glass by PD

    • URL

      https://arxiv.org/abs/1712.09785

    • Related Report
      2017 Annual Research Report
  • [Remarks] ガラスの「形」を数学的に解明 -トポロジーで読み解く無秩序の中の秩序-

    • URL

      https://www.tohoku.ac.jp/japanese/2016/06/press20160609-01.html

    • Related Report
      2016 Research-status Report

URL: 

Published: 2015-04-16   Modified: 2019-03-29  

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