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A Molecular Dynamics Study on Heat and Mass Transfer over the HighlyFunctionalized SAM Interface

Research Project

Project/Area Number 20760126
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeSingle-year Grants
Research Field Thermal engineering
Research InstitutionTohoku University

Principal Investigator

KIKUGAWA Gota  Tohoku University, 流体科学研究所, 助教 (90435644)

Project Period (FY) 2008 – 2009
Project Status Completed (Fiscal Year 2009)
Budget Amount *help
¥3,510,000 (Direct Cost: ¥2,700,000、Indirect Cost: ¥810,000)
Fiscal Year 2009: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
Fiscal Year 2008: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Keywordsマイクロ・ナノスケール伝熱 / 熱工学 / 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 / 熱輸送特性 / 界面輸送現象
Research Abstract

In this study, molecular dynamics (MD) simulations of the interface between self-assembled monolayers (SAMs) and solvents were performed in order to investigate heat and mass transport characteristics at the interface. By using nonequilibrium MD (NEMD) techniques, in which a temperature gradient across the interface was imposed, thermal boundary resistance (TBR) at the SAM-solvent interface was evaluated. As a result, it was found that the TBR at the SAM-toluene interface is much smaller than that at the bare gold-toluene interface. We also analyzed the microscopic mechanisms of this reduction of the TBR by the SAM modification in more detail.

Report

(3 results)
  • 2009 Annual Research Report   Final Research Report ( PDF )
  • 2008 Annual Research Report
  • Research Products

    (26 results)

All 2010 2009 2008

All Journal Article (7 results) (of which Peer Reviewed: 7 results) Presentation (19 results)

  • [Journal Article] Heat Transfer Characteristics at the SAM Interface with Water and Alkane Solvents2010

    • Author(s)
      G. Kikugawa, T. Ohara, T. Kawaguchi, I. Kinefuchi, Y. Matsumoto
    • Journal Title

      Proceedings of Joint International Symposia on 3rd Micro & Nano Technology and Micro/Nanoscale Energy Conversion & Transport - 2010

      Pages: 116-118

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] Heat Transfer Characteristics at the SAM Interface with Water and Alkane Solvents2010

    • Author(s)
      G.Kikugawa, T.Ohara, T.Kawaguchi, I.Kinefuchi, Y.Matsumoto
    • Journal Title

      Proceedings of Joint International Symposia on 3rd Micro & Nano Technology and Micro/Nanoscale Energy Conversion & Transport -2010

      Pages: 116-118

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Heat transfer characteristics inside the SAM layer and at the SAM interfaces with organic solvents2009

    • Author(s)
      G. Kikugawa, T. Mochimaru, T. Ohara, T. Kawaguchi, Y. Matsumoto
    • Journal Title

      The Proceedings of Asian Symposium on Computational Heat Transfer and Fluid Flow 2009 Vol.2

      Pages: 225-229

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] A molecular dynamics study on heat transfer characteristics at the interfaces of alkanethiolate self-assembled monolayer and organic solvent2009

    • Author(s)
      G. Kikugawa, T. Ohara, T. Kawaguchi, E. Torigoe, Y. Hagiwara, Y. Matsumoto
    • Journal Title

      Journal of Chemical Physics Vol.130

    • Related Report
      2009 Final Research Report
    • Peer Reviewed
  • [Journal Article] SAM-溶媒界面の界面熱抵抗に関する分子動力学的研究2009

    • Author(s)
      菊川豪太, 小原拓, 川口暢, 鳥越栄一, 萩原康正, 松本洋一郎
    • Journal Title

      日本機械学会論文集B 75

      Pages: 146-154

    • Related Report
      2009 Final Research Report 2008 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Heat transfer characteristics inside the SAM layer and at the SAM interfaces with organic solvents2009

    • Author(s)
      G.Kikugawa, T.Mochimaru, T.Ohara, T.Kawaguchi, Y.Matsumoto
    • Journal Title

      The Proceedings of Asian Symposium on Computational Heat Transfer and Fluid Flow 2009 Vol.2

      Pages: 225-229

    • Related Report
      2009 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A molecular dynamics study on heat transfer characteristics at the interfaces of alkanethiolate self-assembled monolayer and organic solvent2009

    • Author(s)
      G. Kikugawa, T. Ohara, T. Kaw aguchi, E. Torigoe, Y. Hagiwara, Y. Matsumoto
    • Journal Title

      Journal of Chemical Physics 130

    • Related Report
      2008 Annual Research Report
    • Peer Reviewed
  • [Presentation] Heat Transfer Characteristics at the SAM Interface with Water and Alkane Solvents2010

    • Author(s)
      G. Kikugawa, T. Ohara, T. Kawaguchi, I. Kinefuchi, Y. Matsumoto
    • Organizer
      Joint International Symposia on 3rd Micro & Nano Technology and Micro/Nanoscale Energy Conversion & Transport - 2010
    • Place of Presentation
      Seoul, Korea
    • Year and Date
      2010-03-22
    • Related Report
      2009 Final Research Report
  • [Presentation] Heat Transfer Characteristics at the SAM Interface with Water and Alkane Solvents2010

    • Author(s)
      菊川豪太, 小原拓, 川口暢, 杵淵郁也, 松本洋一郎
    • Organizer
      Joint International Symposia on 3rd Micro & Nano Technology and Micro/Nanoscale Energy Conversion & Transport -2010
    • Place of Presentation
      Seoul, Korea
    • Year and Date
      2010-03-22
    • Related Report
      2009 Annual Research Report
  • [Presentation] 親和性および非親和性溶媒を用いたSAM界面熱輸送特性の分子動力学解析2009

    • Author(s)
      菊川豪太, 小原拓, 川口暢, 杵淵郁也, 松本洋一郎
    • Organizer
      日本機械学会熱工学コンファレンス2009
    • Place of Presentation
      山口大学, 宇部
    • Year and Date
      2009-11-07
    • Related Report
      2009 Final Research Report
  • [Presentation] 親和性および非親和性溶媒を用いたSAM界面熱輸送特性の分子動力学解析2009

    • Author(s)
      菊川豪太, 小原拓, 川口暢, 杵淵郁也, 松本洋一郎
    • Organizer
      日本機械学会熱工学コンファレンス2009
    • Place of Presentation
      山口大学(宇部市)
    • Year and Date
      2009-11-07
    • Related Report
      2009 Annual Research Report
  • [Presentation] Heat Transfer Characteristics inside the SAM layer and at the SAM interface2009

    • Author(s)
      G. Kikugawa, T. Ohara, T. Kawaguchi, I. Kinefuchi, Y. Matsumoto
    • Organizer
      The Sixth International Conference on Flow Dynamics
    • Place of Presentation
      Sendai, Japan
    • Year and Date
      2009-11-04
    • Related Report
      2009 Final Research Report
  • [Presentation] Heat Transfer Characteristics inside the SAM layer and at the SAM in terface2009

    • Author(s)
      菊川豪太, 小原拓, 川口暢, 杵淵郁也, 松本洋一郎
    • Organizer
      The Sixth International Conference on Flow Dynamics
    • Place of Presentation
      Sendai, Japan
    • Year and Date
      2009-11-04
    • Related Report
      2009 Annual Research Report
  • [Presentation] SAM修飾による固液界面の界面熱抵抗低減特性2009

    • Author(s)
      菊川豪太, 持丸孝人, 小原拓, 川口暢, 松本洋一郎
    • Organizer
      第30回日本熱物性シンポジウム
    • Place of Presentation
      伝国の杜, 米沢
    • Year and Date
      2009-10-28
    • Related Report
      2009 Final Research Report
  • [Presentation] SAM修飾による固液界面の界面熱抵抗低減特性2009

    • Author(s)
      菊川豪太, 持丸孝人, 小原拓, 川口暢, 松本洋一郎
    • Organizer
      第30回日本熱物性シンポジウム
    • Place of Presentation
      伝国の杜(米沢市)
    • Year and Date
      2009-10-28
    • Related Report
      2009 Annual Research Report
  • [Presentation] Heat transfer characteristics inside the SAM layer and at the SAM interfaces with organic solvents2009

    • Author(s)
      G. Kikugawa, T. Mochimaru, T. Ohara, T. Kawaguch, Y. Matsumoto
    • Organizer
      2nd Asian Symposium on Computational Heat Transfer and Fluid Flow
    • Place of Presentation
      Jeju, Korea
    • Year and Date
      2009-10-21
    • Related Report
      2009 Annual Research Report 2009 Final Research Report
  • [Presentation] SAM内部およびSAM界面における熱輸送特性の分子動力学的研究2009

    • Author(s)
      菊川豪太, 持丸孝人, 小原拓, 川口暢, 松本洋一郎
    • Organizer
      日本機械学会2009年度年次大会
    • Place of Presentation
      岩手大学, 盛岡
    • Year and Date
      2009-09-14
    • Related Report
      2009 Final Research Report
  • [Presentation] SAM内部およびSAM界面における熱輸送特性の分子動力学的研究2009

    • Author(s)
      菊川豪太, 持丸孝人, 小原拓, 川口暢, 松本洋一郎
    • Organizer
      日本機械学会2009年度年次大会
    • Place of Presentation
      岩手大学(盛岡市)
    • Year and Date
      2009-09-14
    • Related Report
      2009 Annual Research Report
  • [Presentation] Thermal Boundary Resistance at the Interface of Self-Assembled Monolayers2008

    • Author(s)
      G. Kikugawa, T. Ohara, T. Kawaguchi, E. Torigoe, Y. Hagiwara, Y. Matsumoto
    • Organizer
      The 7th JSME-KSME Thermal and Fluids Engineering Conference
    • Place of Presentation
      Sapporo, Japan
    • Year and Date
      2008-10-14
    • Related Report
      2009 Final Research Report
  • [Presentation] Thermal Boundary Resistance at the Interface of Self-Assembled Monola yers2008

    • Author(s)
      G. Kikugawa, T. Ohara, T. Kaw aguchi, E. Torigoe, Y. Hagiwara, and Y. Matsumoto
    • Organizer
      The 7th JSME-KSME Thermal and Fluids Engineering Conference
    • Place of Presentation
      札幌
    • Year and Date
      2008-10-14
    • Related Report
      2008 Annual Research Report
  • [Presentation] A Molecular Dynamics Study on the Heat Transfer Characteristics at a SAM-solvent Interface2008

    • Author(s)
      G. Kikugawa, T. Ohara, T. Kawaguchi, E. Torigoe, Y. Hagiwara, Y. Matsumoto
    • Organizer
      The Second International Forum on Heat Transfer
    • Place of Presentation
      Tokyo, Japan
    • Year and Date
      2008-09-19
    • Related Report
      2009 Final Research Report
  • [Presentation] A Molecular Dynamics Study on the Heat Transfer Characteristics at a SAM-solvent Interface2008

    • Author(s)
      G. Kikugawa, T. Ohara, T. Kaw aguchi, E. Torigoe, Y. Hagiwara, and Y. Matsumoto
    • Organizer
      The Second International Forum on Heat Transfer
    • Place of Presentation
      東京
    • Year and Date
      2008-09-19
    • Related Report
      2008 Annual Research Report
  • [Presentation] SAM-溶媒界面における界面熱抵抗特性の分子論的研究2008

    • Author(s)
      菊川豪太, 川口暢, 小原拓, 鳥越栄一, 萩原康正, 松本洋一郎
    • Organizer
      日本機械学会2008年度年次大会
    • Place of Presentation
      横浜国立大学, 横浜
    • Year and Date
      2008-08-04
    • Related Report
      2009 Final Research Report
  • [Presentation] SAM一溶媒界面における界面熱抵抗特性の分子論的研究2008

    • Author(s)
      菊川豪太, 川口暢, 小原拓, 鳥越栄一, 萩原康正, 松本洋一郎
    • Organizer
      日本機械学会2008年度年次大会
    • Place of Presentation
      横浜
    • Year and Date
      2008-08-04
    • Related Report
      2008 Annual Research Report
  • [Presentation] SAM膜-溶媒界面における熱輸送特性の分子動力学解析2008

    • Author(s)
      菊川豪太, 川口暢, 小原拓, 鳥越栄一, 萩原康正, 松本洋一郎
    • Organizer
      第45回日本伝熱シンポジウム
    • Place of Presentation
      つくば国際会議場, つくば
    • Year and Date
      2008-05-22
    • Related Report
      2009 Final Research Report
  • [Presentation] SAM膜一溶媒界面における熱輸送特性の分子動力学解析2008

    • Author(s)
      菊川豪太, 川口暢, 小原拓, 鳥越栄一, 萩原康正, 松本洋一郎
    • Organizer
      第45回日本伝熱シンポジウム
    • Place of Presentation
      つくば
    • Year and Date
      2008-05-22
    • Related Report
      2008 Annual Research Report

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Published: 2008-04-01   Modified: 2016-04-21  

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