Molecular dynamics simulation of thermal transport across a solid/liquid interface created by a meniscus

Area of Science:

• Thermodynamics
• Nanoscale Science
• Materials Science

Background:

• Heat transfer across solid/liquid interfaces is vital for thermal management in energy systems.
• The nanoscale three-phase contact line (solid/liquid/gas) significantly impacts heat flux.
• Understanding interfacial thermal transport is crucial for developing new thermal control strategies.

Purpose of the Study:

• To investigate thermal transport through a nanosized meniscus confined between solid walls.
• To analyze the effect of wetting states and meniscus size on interfacial heat transfer.
• To bridge atomistic simulations with continuum mechanics for multiscale thermal analysis.

Main Methods:

• Molecular dynamics simulations were used to model the nanosized meniscus and varying wetting conditions.
• The interaction potential between substrate and liquid atoms was adjusted to simulate different wetting states.
• Finite element method was employed to integrate atomistic findings with continuum mechanics.

Main Results:

• The presence of a three-phase contact line was found to decrease interfacial boundary resistance between the solid and liquid.
• Varying the meniscus size influenced the energy exchange between the two solid walls.
• Wetting angle and interfacial boundary resistance were identified as critical parameters for multiscale thermal analysis.

Conclusions:

• The three-phase contact line plays a beneficial role in reducing interfacial resistance for nanoscale heat transfer.
• Accurate multiscale modeling requires precise consideration of wetting phenomena and interfacial resistance.
• This research provides insights for optimizing thermal control in micro/nanoscale energy applications.