Prediction of Kapitza resistance at fluid-solid interfaces

Area of Science:

• Nanoscale systems
• Thermal transport
• Interfacial phenomena

Background:

• Interfacial heat transfer is critical for nanoscale systems.
• Quantifying thermal resistance at fluid-solid interfaces is challenging.
• Existing methods may lack accuracy or require complex setups.

Purpose of the Study:

• Introduce a reliable linear response method for calculating interfacial thermal resistance (Kapitza resistance).
• Utilize equilibrium molecular dynamics (EMD) simulations for this calculation.
• Validate the new method against established molecular dynamics (MD) simulations.

Main Methods:

• Developed a linear response method based on EMD simulations.
• Simulated a Lennard-Jones fluid confined between solid slabs.
• Varied fluid-solid interactions (wetting coefficient), channel width, density, and temperature.

Main Results:

• The Kapitza length decreases with increasing wetting coefficient, as predicted.
• The new method directly determines Kapitza length from EMD simulations.
• Excellent agreement was found between predicted and simulated Kapitza lengths.

Conclusions:

• The proposed linear response method is accurate and reliable for determining Kapitza resistance.
• This EMD-based approach offers a direct and efficient way to study fluid-solid thermal interfaces.
• The findings are crucial for designing and optimizing nanoscale thermal management systems.