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Structural control and mechanism of mechanical properties of polymer nanocomposites

Research Project

Project/Area Number 21K20411
Research Category

Grant-in-Aid for Research Activity Start-up

Allocation TypeMulti-year Fund
Review Section 0301:Mechanics of materials, production engineering, design engineering, fluid engineering, thermal engineering, mechanical dynamics, robotics, aerospace engineering, marine and maritime engineering, and related fields
Research InstitutionKeio University

Principal Investigator

Kobayashi Yusei  慶應義塾大学, 理工学部(矢上), 助教 (20909767)

Project Period (FY) 2021-08-30 – 2023-03-31
Project Status Completed (Fiscal Year 2022)
Budget Amount *help
¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Fiscal Year 2022: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2021: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Keywordsポリマーナノコンポジット / 自己集合 / ナノ粒子 / 粗視化分子シミュレーション
Outline of Research at the Start

ナノコンポジット材料は異種の物質を複合化した材料のことを指す.ナノコンポジット材料において発現する物性は, コンポジット内部の相分離構造に強く依存することが知られている.しかし,ナノコンポジット材料の自己集合構造と物性の関係性は未だ完全に明らかにされていない.本研究では,粗視化分子シミュレーションを用いて,様々な添加剤がナノコンポジットの性質に与える影響を検討することで,ナノコンポジット材料における力学特性の支配因子を特定する.さらに明らかとなったメカニズムを基に,ヤヌス粒子を用いた相分離構造制御を行い,既存の材料では到達できないほどの機械特性を有する理想材料を探索する.

Outline of Final Research Achievements

Coarse-grained molecular simulations were used to investigate the effects of various additives on the properties of polymer nanocomposites. Phase-separated structures were also controlled using Janus particles to search for materials with mechanical properties not observed in existing materials. Tensile simulations of different self-assembled structures obtained by equilibrium simulation showed that the system with surface anisotropic nanoparticles resulted in higher mechanical properties (tensile strength) than the system with surface isotropic nanoparticles. Analysis of the arrangement of the nanoparticles in the polymer nanocomposite showed that the nanoparticles are positioned near the interface, which improves the mechanical properties.

Academic Significance and Societal Importance of the Research Achievements

ナノコンポジット材料は異種の物質を複合化した材料のことを指し,従来の材料系には ない特性を有するため,自動車・航空機の部品,低燃費タイヤ,塗装材料,接着剤等,すで に幅広い分野で実用化されている.これらのナノコンポジット材料において発現する物性は, コンポジット内部の相分離構造に強く依存することが知られている.本研究では表面等方性ナノ粒子が添加された系と比較して,より大きな機械的特性(引張強度)をもたらすことを確認した.本研究で得られた知見を基に、構造制御による新規ナノコンポジット材料の設計に貢献できると期待される.

Report

(3 results)
  • 2022 Annual Research Report   Final Research Report ( PDF )
  • 2021 Research-status Report
  • Research Products

    (21 results)

All 2023 2022 2021 Other

All Int'l Joint Research (1 results) Journal Article (6 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 4 results,  Open Access: 1 results) Presentation (14 results) (of which Int'l Joint Research: 6 results)

  • [Int'l Joint Research] Johannes Gutenberg University Mainz(ドイツ)

    • Related Report
      2022 Annual Research Report
  • [Journal Article] Effect of temperature on the structure and drug-release behaviour of inclusion complex of <i>β</i>-cyclodextrin with cyclophosphamide: a molecular dynamics study2023

    • Author(s)
      Sakai Seiga、Hirano Yoshinori、Kobayashi Yusei、Arai Noriyoshi
    • Journal Title

      Soft Matter

      Volume: - Issue: 16 Pages: 2902-2907

    • DOI

      10.1039/d2sm01542k

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Combining Molecular Dynamics and Machine Learning to Analyze Shear Thinning for Alkane and Globular Lubricants in the Low Shear Regime2023

    • Author(s)
      Yasuda Ikki、Kobayashi Yusei、Endo Katsuhiro、Hayakawa Yoshihiro、Fujiwara Kazuhiko、Yajima Kuniaki、Arai Noriyoshi、Yasuoka Kenji
    • Journal Title

      ACS Applied Materials &amp; Interfaces

      Volume: 15 Issue: 6 Pages: 8567-8578

    • DOI

      10.1021/acsami.2c16366

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Self-Assembly Behaviors and Flow Properties of Amphiphiles by Mesoscale Simulations with Hydrodynamic Interactions2022

    • Author(s)
      Kobayashi Yusei
    • Journal Title

      Nihon Reoroji Gakkaishi

      Volume: 50 Issue: 1 Pages: 31-36

    • DOI

      10.1678/rheology.50.31

    • ISSN
      0387-1533, 2186-4586
    • Year and Date
      2022-02-15
    • Related Report
      2021 Research-status Report
  • [Journal Article] Self-Assembly of Amphiphilic Cubes in Suspension2022

    • Author(s)
      Kobayashi Yusei、Nikoubashman Arash
    • Journal Title

      Langmuir

      Volume: 38 Issue: 34 Pages: 10642-10648

    • DOI

      10.1021/acs.langmuir.2c01614

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Correlation between ordering and shear thinning in confined OMCTS liquids2022

    • Author(s)
      Kobayashi Yusei、Arai Noriyoshi、Yasuoka Kenji
    • Journal Title

      The Journal of Chemical Physics

      Volume: 157 Issue: 11 Pages: 114506-114506

    • DOI

      10.1063/5.0099473

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Simulation study on the effects of the self-assembly of nanoparticles on thermal conductivity of nanofluids2021

    • Author(s)
      Tanaka Shogo、Arai Noriyoshi、Kobayashi Yusei
    • Journal Title

      Chemical Physics Letters

      Volume: 785 Pages: 139129-139129

    • DOI

      10.1016/j.cplett.2021.139129

    • Related Report
      2021 Research-status Report
  • [Presentation] 散逸粒子動力学法を用いたBio-inspired材料表面における超撥水/親水の遷移機構解明2023

    • Author(s)
      孟凡,酒井星河,辻之上弘晃,小林祐生,荒井規允,泰岡顕治
    • Organizer
      第1回ソフトマテリアル工学シミュレーション討論会(SMECS01)
    • Related Report
      2022 Annual Research Report
  • [Presentation] 定エネルギー散逸粒子動力学法を用いたナノ粒子の自己集合と熱伝導率に関する研究2023

    • Author(s)
      鈴木虎次郎,田中昭悟,荒井規允,小林祐生
    • Organizer
      第1回ソフトマテリアル工学シミュレーション討論会(SMECS01)
    • Related Report
      2022 Annual Research Report
  • [Presentation] 両親媒性パッチ粒子の自己集合と粘性挙動2023

    • Author(s)
      小林祐生, 荒井規允, Arash Nikoubashman
    • Organizer
      第1回ソフトマテリアル工学シミュレーション討論会(SMECS01)
    • Related Report
      2022 Annual Research Report
  • [Presentation] Transition between Cassie and Wenzel state on bioinspired hydrophobic surface using dissipative particle dynamics simulation2022

    • Author(s)
      S. Sakai, H. Tsujinoue, Y. Kobayashi, and N. Arai
    • Organizer
      7th International Conference on Multifunctional, Hybrid and Nanomaterials (HYMA)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Structural and mechanical properties of polymer nanocomposites filled with Janus particles using coarse-grained molecular simulation2022

    • Author(s)
      Y. Kobayashi
    • Organizer
      7th International Conference on Multifunctional, Hybrid and Nanomaterials (HYMA)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Simulation of physical properties of crosslinked rubber structures independent of semi-empirical parameters focusing on the average molecular weight between crosslinks2022

    • Author(s)
      T. Sato, Y. Kobayashi, N. Arai, and K. Yasuoka
    • Organizer
      8th Nano Boston Conference
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Self-assembly and mechanical properties of polymer nanocomposites filled with patchy particles2022

    • Author(s)
      Y. Kobayashi
    • Organizer
      8th Nano Boston Conference
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 分子動力学と機械学習を組み合わせた低せん断速度における炭化水素および球状の潤滑剤におけるシェアシニングの解析2022

    • Author(s)
      安田一希,小林祐生,遠藤克浩,早川吉弘,藤原和彦,矢島邦昭,荒井規允,泰岡顕治
    • Organizer
      第36回分子シミュレーション討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 分子動力学法を用いたβ-シクロデキストリン/シクロホスファミドの包接化合物の薬物放出挙動2022

    • Author(s)
      酒井星河,平野秀典,小林祐生,荒井規允
    • Organizer
      第36回分子シミュレーション討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] ナノ厚さにおける球状潤滑油分子の層構造とせん断粘度の関係2022

    • Author(s)
      小林祐生,荒井規允, 泰岡顕治
    • Organizer
      第36回分子シミュレーション討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 氷/蒸気界面および氷/高分子界面におけるプレメルト層の分子動力学シミュレーション2022

    • Author(s)
      佐藤碧海,安田一希,小林祐生,荒井規允,泰岡顕治
    • Organizer
      第36回分子シミュレーション討論会
    • Related Report
      2022 Annual Research Report
  • [Presentation] 散逸粒子動力学法を用いたナノ空間内における高分子グラフトナノ粒子の自己組織化に関する研究2022

    • Author(s)
      佐藤碧海, 小林祐生, 荒井規允
    • Organizer
      日本機械学会 関東支部 第28期総会・講演会
    • Related Report
      2021 Research-status Report
  • [Presentation] Study on the effect of tether polymers on the self-assembled structure of tethered nanoparticles2021

    • Author(s)
      Sato Takumi, Kobayashi Yusei, and Arai Noriyoshi
    • Organizer
      The International Chemical Congress of Pacific Basin Societies 2021 (Pacifichem 2021)
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research
  • [Presentation] Structural and rheological properties of Janus colloid-polymer mixtures in dilute solution under shear2021

    • Author(s)
      Kobayashi Yusei, Arai Noriyoshi, and Nikoubashman Arash
    • Organizer
      The International Chemical Congress of Pacific Basin Societies 2021 (Pacifichem 2021)
    • Related Report
      2021 Research-status Report
    • Int'l Joint Research

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Published: 2021-10-22   Modified: 2024-01-30  

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