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A Molecular Dynamics Study on contributing factors to Heat and MassTransfer over the SAM Interface

Research Project

Project/Area Number 23760172
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Thermal engineering
Research InstitutionTohoku University

Principal Investigator

KIKUGAWA Gota  東北大学, 流体科学研究所, 講師 (90435644)

Project Period (FY) 2011 – 2012
Project Status Completed (Fiscal Year 2012)
Budget Amount *help
¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Fiscal Year 2012: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2011: ¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Keywords熱工学 / ナノスケール伝熱 / 自己組織化 / 計算物理 / 分子熱流体 / 分子動力学 / SAM / 界面輸送特性 / 輸送特性 / 自己組織化単分子膜
Research Abstract

In this study, molecular dynamics (MD) simulations of the interface between self-assembled monolayers (SAMs) on the metal surface and solvents were performed in order to investigate heat transfer characteristics at the interface. By using nonequilibrium MD (NEMD) techniques, in which a temperature gradient across the interface was imposed, the contributing factors to interfacial thermal transport properties over the substrate-SAM-solvent interface were evaluated. As a result, it was found that thermal boundary resistance at the SAM-water interface is strongly influenced by the terminal groups of SAM. The effect of adsorption structure of SAM on thermal boundary resistance was also elucidated.

Report

(3 results)
  • 2012 Annual Research Report   Final Research Report ( PDF )
  • 2011 Research-status Report
  • Research Products

    (13 results)

All 2013 2012 2011

All Journal Article (4 results) (of which Peer Reviewed: 3 results) Presentation (9 results)

  • [Journal Article] Heat Transfer Characteristics over the Interface of Alkanethiolate SAM and Alkane Liquid2013

    • Author(s)
      Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, Yoichiro Matsumoto
    • Journal Title

      Proceedings of the ASME 2013 Summer Heat Transfer Conference, HT2013-17607

      Volume: (印刷中)

    • Related Report
      2012 Final Research Report
  • [Journal Article] Heat Transfer Characteristics over the Interface of Alkanethiolate SAM and Alkane Liquid2013

    • Author(s)
      Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, Yoichiro Matsumoto
    • Journal Title

      Proceedings of the ASME 2013 Summer Heat Transfer Conference

      Volume: -

    • Related Report
      2012 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Momentum and Heat Transport in Nanoscale Lubrication of Alkane Thin Film Sheared by Self-Assembled Monolayer Surfaces2011

    • Author(s)
      G. Kikugawa, N. Yamamoto, and T. Ohara
    • Journal Title

      Proceedings of the 4th International Conference on Heat Transfer and Fluid Flow in Microscale, HTFFM-IV-117

    • Related Report
      2012 Final Research Report
    • Peer Reviewed
  • [Journal Article] Momentum and Heat Transport in Nanoscale Lubrication of Alkane Thin Film Sheared by Self-Assembled Monolayer Surfaces2011

    • Author(s)
      G. Kikugawa, N. Yamamoto, and T. Ohara
    • Journal Title

      Proceedings of the 4th International Conference on Heat Transfer and Fluid Flow in Microscale

      Volume: -

    • Related Report
      2011 Research-status Report
    • Peer Reviewed
  • [Presentation] Heat Transfer Characteristics over the Interface of Alkanethiolate SAM and Alkane Liquid2013

    • Author(s)
      Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, Yoichiro Matsumoto
    • Organizer
      ASME 2013 Summer Heat Transfer Conference
    • Place of Presentation
      Minneapolis, USA
    • Related Report
      2012 Annual Research Report
  • [Presentation] Microscopic Analyses of Heat Transfer at Micro and Nano Scale Interfaces2012

    • Author(s)
      G. Kikugawa, P.-O. Chapuis, S. Gomes, S. Lefevre, T. Ohara, R. Vaillon
    • Organizer
      The 4th ELyT Lab Annual Workshop
    • Place of Presentation
      Hyeres, France
    • Year and Date
      2012-03-13
    • Related Report
      2012 Final Research Report 2011 Research-status Report
  • [Presentation] Interfacial Heat Transfer Characteristics over the Self-Assembled Monolayer and Solvent Interfaces2011

    • Author(s)
      G. Kikugawa, T. Ohara, T. Kawaguchi, I. Kinefuchi, Y. Matsumoto
    • Organizer
      7th US-Japan Joint Seminar on Nanoscale Transport Phenomena - Scienceand Engineering -
    • Place of Presentation
      Shima, Japan
    • Year and Date
      2011-12-13
    • Related Report
      2012 Final Research Report
  • [Presentation] 親水性および疎水性SAMと水溶媒の界面における熱輸送特性の詳細解析2011

    • Author(s)
      菊川豪太小原拓,川口暢,杵淵郁也,松本洋一郎
    • Organizer
      熱工学コンファレンス2011
    • Place of Presentation
      浜松
    • Year and Date
      2011-10-29
    • Related Report
      2012 Final Research Report 2011 Research-status Report
  • [Presentation] Momentum and Heat Transport in Nanoscale Lubrication of Alkane Thin Film Sheared by Self-Assembled Monolayer Surfaces2011

    • Author(s)
      G. Kikugawa, N. Yamamoto, and T. Ohara
    • Organizer
      4th International Conference on Heat Transfer and Fluid Flow in Microscale
    • Place of Presentation
      Fukuoka,Japan
    • Year and Date
      2011-09-06
    • Related Report
      2012 Final Research Report
  • [Presentation] 自己組織化膜修飾界面によるアルカン極薄液膜のせん 断に関する分子動力学シミュレーション2011

    • Author(s)
      菊川豪太,山本直史, 小原拓
    • Organizer
      第48回日本伝熱シンポジウム
    • Place of Presentation
      岡山
    • Year and Date
      2011-06-02
    • Related Report
      2012 Final Research Report
  • [Presentation] Momentum and Heat Transport in Nanoscale Lubrication of Alkane Thin Film Sheared by Self-Assembled Monolayer Surfaces2011

    • Author(s)
      G. Kikugawa, N. Yamamoto, and T. Ohara
    • Organizer
      4th International Conference on Heat Transfer and Fluid Flow in Microscale
    • Place of Presentation
      Fukuoka, Japan
    • Related Report
      2011 Research-status Report
  • [Presentation] 自己組織化膜修飾界面によるアルカン極薄液膜のせん断に関する分子動力学シミュレーション2011

    • Author(s)
      菊川豪太, 山本直史, 小原拓
    • Organizer
      第48回日本伝熱シンポジウム
    • Place of Presentation
      岡山
    • Related Report
      2011 Research-status Report
  • [Presentation] Interfacial Heat Transfer Characteristics over the Self-Assembled Monolayer and Solvent Interfaces2011

    • Author(s)
      G. Kikugawa, T. Ohara, T. Kawaguchi, I. Kinefuchi, Y. Matsumoto
    • Organizer
      7th US-Japan Joint Seminar on Nanoscale Transport Phenomena - Science and Engineering -(招待講演)
    • Place of Presentation
      Shima, Japan
    • Related Report
      2011 Research-status Report

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Published: 2011-08-05   Modified: 2019-07-29  

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