A Molecular Dynamics Study on the Effects of Nanostructural Clearances on Thermal Resistance at a Liquid Water–Solid Interface

Abstract

The thermal resistance at a liquid–solid interface was calculated by means of the heat flux and temperature discontinuity obtained through molecular dynamics simulations. The thermal resistance at a liquid–solid interface reached a minimum value when the interfacial structural clearances were changed with nanometer precision. The thermal resistance calculated by the rotational temperature of water molecules was larger than that calculated by the translational temperature because of the restriction on the dynamic motions of water molecules between the nanostructures. The interfacial thermal resistance reduction depended on the clearances and was related to the residence time variation of water molecules at the interface.

KEY WORDS:

• nanostructural clearances
• thermal resistance
• liquid water–solid interface
• molecular dynamics method

This work was partially supported by the Ministry of Education, Science, Sports, and Culture (MEXT), Japan. “Grant-in-Aid for Young Scientists (A) No. 19686017.”