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Molecular dynamics simulations of thermal resistance at the liquid-solid interface
Bo Hung Kim1, Ali Beskok, Tahir Cagin
1Aerospace Engineering Department, Old Dominion University, Norfolk, Virginia 23529, USA.
The Journal of Chemical Physics
|December 3, 2008
Summary
This study uses molecular dynamics simulations to investigate heat conduction in liquid Argon nanochannels. It characterizes thermal resistance at the interface and develops a model for temperature jump conditions.
Area of Science:
- Thermodynamics
- Materials Science
- Computational Physics
Background:
- Heat conduction in nanochannels is crucial for thermal management.
- Understanding interface thermal resistance is key for accurate heat transfer predictions.
- Liquid Argon serves as a model fluid for studying nanoscale heat transport.
Purpose of the Study:
- To investigate heat conduction in liquid Argon confined between parallel plates.
- To characterize thermal resistance at the liquid/solid interface in nanochannels.
- To develop and validate a model for temperature jump conditions.
Main Methods:
- Three-dimensional molecular dynamics (MD) simulations using 6-12 Lennard-Jones potential.
- Interactive thermal wall model for maintaining specific wall temperatures.
- Calculation of heat flux and temperature distribution for varying channel heights (3.24–12.96 nm).
Main Results:
- Fourier's law of heat conduction is verified for the smallest channel.
- Kapitza resistance (temperature jump) is observed at the liquid/solid interface.
- An empirical model for thermal resistance length is developed, dependent on surface wettability, wall temperature, and channel height.
Conclusions:
- MD simulations accurately predict heat conduction and temperature distribution in nanochannels.
- The developed empirical model provides a new temperature jump condition for continuum models.
- The findings contribute to understanding nanoscale heat transfer and interface phenomena.
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