A Molecular Dynamics Study on Transport Properties over Organic Molecular Thin Films Having Self-Assembling Capability

• Project/Area Number: 25420145
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Thermal engineering
• Research Institution: Tohoku University
• Principal Investigator: KIKUGAWA Gota 東北大学, 流体科学研究所, 講師 (90435644)
• Project Period (FY): 2013-04-01 – 2016-03-31
• Project Status: Completed (Fiscal Year 2015)
• Budget Amount: ¥5,200,000 (Direct Cost: ¥4,000,000、Indirect Cost: ¥1,200,000); Fiscal Year 2015: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000); Fiscal Year 2014: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000); Fiscal Year 2013: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
• Keywords: 熱工学 / ナノスケール伝熱 / 自己組織化単分子膜 / 計算物理 / 分子熱流体 / 分子動力学 / 界面輸送特性 / 界面熱抵抗 / 輸送特性 / 界面熱輸送

Outline of Final Research Achievements

In this study, we aimed to investigate thermal transfer mechanism over self-assembled monolayers (SAMs) and propose the designing objective for developing novel surface modification materials from the microscopic viewpoint. Molecular dynamics (MD) simulations promoted to explore the possible combinations of a solid substrate and SAM molecules when the SAM modification technique is applied to industrial and engineering devices. We elucidated the heat transfer efficiency over the interfaces of various SAMs and solvent species. These studies suggest that whether the SAM modification should be utilized to improve the interfacial thermal energy transfer is actually depending on the combinations of solvent and substrate species to be applied.

Research Products

• [Journal Article] A molecular dynamics study on heat conduction characteristics inside the alkanethiolate SAM and alkane liquid (2014)
  • Author(s): Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, and Yoichiro Matsumoto
  • Journal Title: International Journal of Heat and Mass Transfer Volume: 78 Pages: 630-635
  • DOI: 10.1016/j.ijheatmasstransfer.2014.07.040
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] A Molecular Dynamics Study on Heat Transfer Characteristics Over the Interface of Self-Assembled Monolayer and Water Solvent (2014)
  • Author(s): Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi, and Yoichiro Matsumoto
  • Journal Title: ASME Journal of Heat Transfer Volume: 136 Issue: 10 Pages: 102401-102401
  • DOI: 10.1115/1.4027910
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Heat Transfer Characteristics over the Interface of Alkanethiolate SAM and Alkane Liquid (2013)
  • Author(s): Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi and Yoichiro Matsumoto
  • Journal Title: Proceedings of the ASME 2013 Summer Heat Transfer Conference Volume: -
  • Peer Reviewed
• [Journal Article] Thermal Transport Characteristics over the Interface of Alkanethiol SAM on a Copper Substrate and Water Solvent (2013)
  • Author(s): Yoichi Naruke, Gota Kikugawa, Takeshi Bessho, Satoshi Takata, and Taku Ohara
  • Journal Title: Proceedings of the 12th International Conference on Fluid Control, Measurements, and Visualization Volume: -
  • Peer Reviewed
• [Presentation] フルオロカーボン系SAMと各種溶媒の界面熱輸送と界面親和性に関する分子論的研究 (2016)
  • Author(s): 菊川豪太, 根本充, 別所毅, 山下征士, 小原拓
  • Organizer: 第53回日本伝熱シンポジウム
  • Place of Presentation: グランキューブ大阪（大阪府大阪市）
  • Year and Date: 2016-05-24
• [Presentation] フルオロカーボンSAM界面の熱輸送特性に関する分子動力学的研究 (2016)
  • Author(s): 根本充, 菊川豪太, 別所毅, 山下征士, 小原拓
  • Organizer: 日本機械学会東北支部 第51期総会・講演会
  • Place of Presentation: 東北大学（宮城県仙台市）
  • Year and Date: 2016-03-11
• [Presentation] Molecular dynamics viewpoint on heat transfer characteristics of self-assembled monolayers and polymeric substances (2014)
  • Author(s): Gota Kikugawa
  • Organizer: The 8th US-Japan Joint Seminar on Nanoscale Transport Phenomena
  • Place of Presentation: Santa Cruz, USA
  • Year and Date: 2014-07-14
  • Invited
• [Presentation] Heat Transfer Characteristics over the Interface of Alkanethiolate SAM and Alkane Liquid
  • Author(s): Gota Kikugawa, Taku Ohara, Tohru Kawaguchi, Ikuya Kinefuchi and Yoichiro Matsumoto
  • Organizer: ASME 2013 Summer Heat Transfer Conference
  • Place of Presentation: Minneapolis, USA
• [Presentation] Thermal Transport Characteristics over the Interface of Alkanethiol SAM on a Copper Substrate and Water Solvent
  • Author(s): Yoichi Naruke, Gota Kikugawa, Takeshi Bessho, Satoshi Takata, Taku Ohara
  • Organizer: 12th International Symposium on Fluid Control, Measurement and Visualization
  • Place of Presentation: Nara, Japan