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

2015 Fiscal Year Final Research Report

• 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
• 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

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.

Free Research Field

分子熱流体工学