In simulations of micro channel cooling, the heat exchange from fluid to channel wall is an important aspect. Hence the heat exchange should be included in the model. Although numerically very expensive, it can be done by using a molecular wall. Numerically cheap implementations of a wall are the reflective wall and the thermal wall, and the combination of both, the diffusive-specular wall. In this paper we introduce the concept of a vibrating reflective wall as a boundary condition for molecular dynamics simulations. It is shown that the heat transfer with the vibrating reflective wall is the same as with a molecular wall, and that computation time is reduced greatly. As a competitive model, the diffusive-specular boundary condition is analyzed; it is shown that a good choice of parameters can give similar results in the same computation time, but the choice of parameters is not known a priori, therefore the vibrating reflective wall boundary condition is preferable.
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ASME 2008 6th International Conference on Nanochannels, Microchannels, and Minichannels
June 23–25, 2008
Darmstadt, Germany
Conference Sponsors:
- Nanotechnology Institute
ISBN:
0-7918-4834-5
PROCEEDINGS PAPER
Heat Transfer on Walls in Molecular Dynamics Simulations: Modelling With Vibrating Reflective Walls
E. A. T. van den Akker,
E. A. T. van den Akker
Eindhoven University of Technology, Eindhoven, The Netherlands
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A. J. H. Frijns,
A. J. H. Frijns
Eindhoven University of Technology, Eindhoven, The Netherlands
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A. A. van Steenhoven,
A. A. van Steenhoven
Eindhoven University of Technology, Eindhoven, The Netherlands
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P. A. J. Hilbers
P. A. J. Hilbers
Eindhoven University of Technology, Eindhoven, The Netherlands
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E. A. T. van den Akker
Eindhoven University of Technology, Eindhoven, The Netherlands
A. J. H. Frijns
Eindhoven University of Technology, Eindhoven, The Netherlands
A. A. van Steenhoven
Eindhoven University of Technology, Eindhoven, The Netherlands
P. A. J. Hilbers
Eindhoven University of Technology, Eindhoven, The Netherlands
Paper No:
ICNMM2008-62194, pp. 937-945; 9 pages
Published Online:
June 11, 2009
Citation
van den Akker, EAT, Frijns, AJH, van Steenhoven, AA, & Hilbers, PAJ. "Heat Transfer on Walls in Molecular Dynamics Simulations: Modelling With Vibrating Reflective Walls." Proceedings of the ASME 2008 6th International Conference on Nanochannels, Microchannels, and Minichannels. ASME 2008 6th International Conference on Nanochannels, Microchannels, and Minichannels. Darmstadt, Germany. June 23–25, 2008. pp. 937-945. ASME. https://doi.org/10.1115/ICNMM2008-62194
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