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International Journal for Multiscale Computational Engineering
Impact-faktor: 1.016 5-jähriger Impact-Faktor: 1.194 SJR: 0.554 SNIP: 0.68 CiteScore™: 1.18

ISSN Druckformat: 1543-1649
ISSN Online: 1940-4352

International Journal for Multiscale Computational Engineering

DOI: 10.1615/IntJMultCompEng.v4.i3.80
pages 391-397

Molecular Dynamics and Monte Carlo Simulations for Heat Transfer in Micro- and Nanochannels

A. J. H. Frijns
Eindhoven University of Technology, Department of Mechanical Engineering, P.O.Box 513, 5600MB Eindhoven, The Netherlands
Silvia V. Nedea
Eindhoven University of Technology, Department of Mechanical Engineering, P.O.Box 513, 5600MB Eindhoven, The Netherlands
Anton A. van Steenhoven
Faculty of Mechanical Engineering, Energy Technology Section, Den Dolech 2, 5600MB, Eindhoven, The Netherlands
A. J. Markvoort
Eindhoven University of Technology, Department of Biomedical Engineering, P.O.Box 513, 5600MB Eindhoven, The Netherlands
P. A. J. Hilbers
Eindhoven University of Technology, Department of Biomedical Engineering, P.O.Box 513, 5600MB Eindhoven, The Netherlands

ABSTRAKT

There is a tendency to cool mechanical and electrical components by microchannels. When the channel size decreases, the continuum approach starts to fail and particle-based methods should be used. In this paper, the heat transfer in a dense gas is studied by molecular dynamics and Monte Carlo simulations. It is shown that in the limit situation both methods yield the same solution. Molecular dynamics is an accurate but computationally expensive method. The Monte Carlo method is more efficient, but is less accurate near the boundaries. Therefore, a new coupling algorithm for molecular dynamics and Monte Carlo is introduced in which the advantages of both methods are used.


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