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Precise Molecular Design of Organic Friction Modifiers by Large-Scale Molecular Simulations, Advanced Measurements, and Chemical Syntheses

Research Project

Project/Area Number 21H01238
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Review Section Basic Section 18040:Machine elements and tribology-related
Research InstitutionNagoya University

Principal Investigator

Zhang Hedong  名古屋大学, 情報学研究科, 教授 (80345925)

Co-Investigator(Kenkyū-buntansha) 安田 耕二  名古屋大学, 未来材料・システム研究所, 准教授 (70293686)
塚本 眞幸  名古屋大学, 情報学研究科, 講師 (10362295)
Project Period (FY) 2021-04-01 – 2024-03-31
Project Status Completed (Fiscal Year 2023)
Budget Amount *help
¥17,940,000 (Direct Cost: ¥13,800,000、Indirect Cost: ¥4,140,000)
Fiscal Year 2023: ¥2,470,000 (Direct Cost: ¥1,900,000、Indirect Cost: ¥570,000)
Fiscal Year 2022: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
Fiscal Year 2021: ¥12,610,000 (Direct Cost: ¥9,700,000、Indirect Cost: ¥2,910,000)
Keywordsトライボロジー / 境界潤滑 / 分子シミュレーション / トライボロジ
Outline of Research at the Start

地球温暖化防止のため,摩擦・摩耗によるエネルギー損失や温室効果ガスを極限まで削減できるグリーン潤滑が要請されており,潤滑油の添加剤として高性能な環境に優しい有機摩擦調整剤(OFM)が必須である.しかし,固体二面のナノ摺動すきまにおけるOFM分子挙動の解析・計測は困難で,OFM設計指針は未確立である.本研究では,大規模マルチスケール分子シミュレーション法,およびシミュレーション結果を検証可能な先端計測法を確立し,さらに新規OFM分子を設計・合成し,三者の協働により,OFM含有潤滑系の摩擦・摩耗特性とOFM分子構造の相関を解明し,体系的なOFM分子設計指針を構築する.

Outline of Final Research Achievements

Aiming to establish systematic molecular design guidelines for organic friction modifiers (OFMs), we advanced our research through the collaboration of large-scale molecular simulations, advanced measurements, and chemical synthesis. Specifically, we established large-scale molecular simulation methods and measurement techniques that can verify and complement the simulation results. Additionally, we designed and synthesized new OFM molecules. Based on these foundations, we tackled the hierarchical correlation between the nano- to macro-scale characteristics of lubrication systems containing OFMs with different molecular structures. These characteristics included the nano-scale characteristics of OFM molecules, the micro-scale characteristics of OFM adsorption films, and the macro-scale friction and wear properties of the system.

Academic Significance and Societal Importance of the Research Achievements

本研究の成果は,2019年度戦略目標および研究開発目標「ナノスケール動的挙動の理解に基づく力学特性発現機構の解明」に合致している.トライボロジー分野の学術発展や,自動車などに適用可能な摩擦損失を軽減する高度な潤滑技術の確立に寄与することが期待される.摩擦損失の18~40%の低減は,世界エネルギー使用量の8.7%の削減につながり,本研究により省エネ・低炭素社会の実現への寄与が見込まれる.

Report

(4 results)
  • 2023 Annual Research Report   Final Research Report ( PDF )
  • 2022 Annual Research Report
  • 2021 Annual Research Report
  • Research Products

    (28 results)

All 2024 2023 2022 2021 Other

All Int'l Joint Research (3 results) Journal Article (6 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 6 results,  Open Access: 2 results) Presentation (13 results) (of which Int'l Joint Research: 5 results) Remarks (6 results)

  • [Int'l Joint Research] マレーシア工科大学(マレーシア)

    • Related Report
      2023 Annual Research Report
  • [Int'l Joint Research] マレーシア工科大(マレーシア)

    • Related Report
      2022 Annual Research Report
  • [Int'l Joint Research] マレーシア工科大学(マレーシア)

    • Related Report
      2021 Annual Research Report
  • [Journal Article] Coarse-Grained Molecular Dynamics Simulations of Organic Friction Modifier Adsorption on Rough Surfaces under Shear2024

    • Author(s)
      Tang Jiahao、Chong William Woei Fong、Zhang Hedong
    • Journal Title

      Lubricants

      Volume: 12 Issue: 2 Pages: 30-30

    • DOI

      10.3390/lubricants12020030

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Effect of water on mechano-chemical reactions of perfluoropolyether lubricant films in heat-assisted magnetic recording: A reactive molecular dynamics study2023

    • Author(s)
      Chen Xingyu、Inayoshi Koya、Zhang Hedong、Koga Nobuaki、Fukuzawa Kenji、Itoh Shintaro、Azuma Naoki
    • Journal Title

      Tribology International

      Volume: 187 Pages: 108674-108674

    • DOI

      10.1016/j.triboint.2023.108674

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Enhancing pressure consistency and transferability of structure-based coarse-graining2023

    • Author(s)
      Tang Jiahao、Kobayashi Takayuki、Zhang Hedong、Fukuzawa Kenji、Itoh Shintaro
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 25 Issue: 3 Pages: 2256-2264

    • DOI

      10.1039/d2cp04849c

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Characterization of organic friction modifiers using lateral force microscopy and Eyring activation energy model2023

    • Author(s)
      Hou Jinchi、Tsukamoto Masaki、Zhang Hedong、Fukuzawa Kenji、Itoh Shintaro、Azuma Naoki
    • Journal Title

      Tribology International

      Volume: 178 Pages: 108052-108052

    • DOI

      10.1016/j.triboint.2022.108052

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Adsorption Behavior of TEMPO-Based Organic Friction Modifiers during Sliding between Iron Oxide Surfaces: A Molecular Dynamics Study2022

    • Author(s)
      Chen Xingyu、Yang Juntao、Yasuda Koji、Koga Nobuaki、Zhang Hedong
    • Journal Title

      Langmuir

      Volume: 38 Issue: 10 Pages: 3170-3179

    • DOI

      10.1021/acs.langmuir.1c03203

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Molecules with a TEMPO-based head group as high-performance organic friction modifiers2022

    • Author(s)
      Hou Jinchi、Tsukamoto Masaki、Hor Seanghai、Chen Xingyu、Yang Juntao、Zhang Hedong、Koga Nobuaki、Yasuda Koji、Fukuzawa Kenji、Itoh Shintaro、Azuma Naoki
    • Journal Title

      Friction

      Volume: 11 Issue: 2 Pages: 316-332

    • DOI

      10.1007/s40544-022-0610-0

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access
  • [Presentation] Molecular Dynamics Study of Conformations of Polyalkylmethacrylates in Oil and on Iron Oxide Surface2023

    • Author(s)
      Himanshu Shekhar, Yuma Chikazawa, Xingyu Chen, Hedong Zhang
    • Organizer
      International Tribology Conference 2023 (ITC2023)
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Molecular Dynamics Study of Shear-induced Desorption Behavior of TEMPO-based Organic Friction Modifiers2023

    • Author(s)
      Kimberly Ming-Xia Foo, Xingyu Chen, Juntao Yang, Hedong Zhang
    • Organizer
      International Tribology Conference 2023 (ITC2023)
    • Related Report
      2023 Annual Research Report
    • Int'l Joint Research
  • [Presentation] ミニトラクション試験機を用いたTEMPO系有機摩擦調整剤の性能評価2023

    • Author(s)
      侯金赤, 張賀東, 福澤健二, 伊藤伸太郎, 東直輝
    • Organizer
      トライボロジー会議2023春 東京
    • Related Report
      2023 Annual Research Report
  • [Presentation] PAMAのエステル側鎖が油中存在形態に及ぼす影響の分子動力学解析2023

    • Author(s)
      近澤祐馬, Shekhar Himanshu, 張賀東, 福澤健二, 伊藤伸太郎, 東直輝
    • Organizer
      日本機械学会2023年度年次大会
    • Related Report
      2023 Annual Research Report
  • [Presentation] TEMPO系有機摩擦調整剤の表面吸着膜の構造とせん断強度に関する分子動力学解析2023

    • Author(s)
      森田渓介, Kimberly Ming-Xia Foo, 陳星宇, 塚本眞幸, 張賀東
    • Organizer
      日本機械学会2023年度年次大会
    • Related Report
      2023 Annual Research Report
  • [Presentation] Measurement of friction and contact behavior between sliding surfaces lubricated with molecularly thin liquid films2022

    • Author(s)
      Jinchi Hou, Yurun Li, Hedong Zhang, Kenji Fukuzawa, Shintaro Itoh, Naoki Azuma
    • Organizer
      2022 JSME-IIP/ASME-ISPS Joint Conference on Micromechatronics for Information and Precision Equipment (MIPE2022)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Mechanochemical reactions of perfluoropolyether lubricant films in the presence of water and oxygen molecules: a reactive molecular dynamics study2022

    • Author(s)
      Xingyu Chen, Koya Inayoshi, Takumi Aoto, Hedong Zhang, Kenji Fukuzawa, Shintaro Itoh, Naoki Azuma
    • Organizer
      2022 JSME-IIP/ASME-ISPS Joint Conference on Micromechatronics for Information and Precision Equipment (MIPE2022)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Effect of functional group and chain length on the structure and strength of adsorbed films of TEMPO-based organic friction modifiers: a computational study2022

    • Author(s)
      Kimberly Ming-Xia Foo, Juntao Yang, Xingyu Chen, Koji Yasuda, Nobuaki Koga, Hedong Zhang
    • Organizer
      2022 JSME-IIP/ASME-ISPS Joint Conference on Micromechatronics for Information and Precision Equipment (MIPE2022)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] TEMPO系有機摩擦調整剤の酸化鉄表面への吸着挙動に関する分子動力学解析2022

    • Author(s)
      陳星宇, 楊俊韜, 安田耕二, 古賀伸明, 張賀東
    • Organizer
      トライボロジー会議2022 春 東京
    • Related Report
      2022 Annual Research Report
  • [Presentation] 摩擦力顕微鏡とEyringモデルを用いた有機摩擦調整剤の特性評価2022

    • Author(s)
      黄シン雷, 侯金赤, 塚本眞幸, 張賀東, 福澤健二, 伊藤伸太郎, 東直輝
    • Organizer
      トライボロジー会議2022 秋 福井
    • Related Report
      2022 Annual Research Report
  • [Presentation] 環状構造とラジカルを含む有機摩擦調整剤の性能に対する官能基の影響2021

    • Author(s)
      侯金赤,Seanghai Hor, 塚本眞幸,張賀東,福澤健二,伊藤伸太郎,東直輝
    • Organizer
      日本機械学会2021年度年次大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] ナノ厚さ液体膜を介した固体摺動面間の摩擦特性の数値解析2021

    • Author(s)
      李雨潤,William Woei Fong CHONG,張賀東,福澤健二,伊藤伸太郎,東直輝
    • Organizer
      日本機械学会2021年度年次大会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 有機摩擦調整剤の表面吸着特性と摩擦摩耗特性の相関に関する研究2021

    • Author(s)
      Hong Lian Low, Seanghai Hor, 塚本眞幸,張賀東,福澤健二,伊藤伸太郎,東直輝
    • Organizer
      トライボロジー会議2021秋 松江
    • Related Report
      2021 Annual Research Report
  • [Remarks] 張研究室

    • URL

      http://www.is.nagoya-u.ac.jp/dep-cs/nanosurf/

    • Related Report
      2023 Annual Research Report
  • [Remarks] 塚本研究室

    • Related Report
      2023 Annual Research Report
  • [Remarks] http://www.is.nagoya-u.ac.jp/dep-cs/tsukamoto/

    • Related Report
      2023 Annual Research Report
  • [Remarks] 張研究室

    • URL

      https://www.is.nagoya-u.ac.jp/dep-cs/nanosurf/

    • Related Report
      2022 Annual Research Report
  • [Remarks] 塚本研究室

    • URL

      http://www.is.nagoya-u.ac.jp/dep-cs/tsukamoto/

    • Related Report
      2022 Annual Research Report 2021 Annual Research Report
  • [Remarks] 張研究室

    • URL

      http://www.is.nagoya-u.ac.jp/dep-cs/nanosurf/index.html

    • Related Report
      2021 Annual Research Report

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Published: 2021-04-28   Modified: 2025-01-30  

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