Molecular dynamics and Monte Carlo simulations for heat transfer in micro and nano-channels

A.J.H. Frijns; S.V. Nedea; Albert. J. Markvoort; A.A. Steenhoven, van; P.A.J. Hilbers

doi:10.1007/978-3-540-25944-2_85

Molecular dynamics and Monte Carlo simulations for heat transfer in micro and nano-channels

A.J.H. Frijns, S.V. Nedea, Albert. J. Markvoort, A.A. Steenhoven, van, P.A.J. Hilbers

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Academic › peer-review

3 Citations (Scopus)

Abstract

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, a dense gas in micro and nano-channels is modelled 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 computational 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.

Original language	English
Title of host publication	Computational Science - ICCS 2004 (Proceedings 4th International Conference, Kraków, Poland, June 6-9, 2004), Part IV
Editors	M. Bubak, xx et al.
Place of Publication	Berlin
Publisher	Springer
Pages	661-666
ISBN (Print)	978-3-540-22129-6
DOIs	https://doi.org/10.1007/978-3-540-25944-2_85
Publication status	Published - 2004
Event	4th International Conference on Computational Science (ICCS 2004) - AGH University of Science and Technology, Kraków, Poland Duration: 6 Jun 2004 → 9 Jun 2004 Conference number: 4 http://www.iccs-meeting.org/iccs2004/

Publication series

Name	Lecture Notes in Computer Science
Volume	3039
ISSN (Print)	0302-9743

Conference

Conference	4th International Conference on Computational Science (ICCS 2004)
Abbreviated title	ICCS 2004
Country/Territory	Poland
City	Kraków
Period	6/06/04 → 9/06/04
Internet address	http://www.iccs-meeting.org/iccs2004/

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10.1007/978-3-540-25944-2_85

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Frijns, A. J. H., Nedea, S. V., Markvoort, A. J., Steenhoven, van, A. A., & Hilbers, P. A. J. (2004). Molecular dynamics and Monte Carlo simulations for heat transfer in micro and nano-channels. In M. Bubak, & X. et al. (Eds.), Computational Science - ICCS 2004 (Proceedings 4th International Conference, Kraków, Poland, June 6-9, 2004), Part IV (pp. 661-666). (Lecture Notes in Computer Science; Vol. 3039). Springer. https://doi.org/10.1007/978-3-540-25944-2_85

Frijns, A.J.H. ; Nedea, S.V. ; Markvoort, Albert. J. et al. / Molecular dynamics and Monte Carlo simulations for heat transfer in micro and nano-channels. Computational Science - ICCS 2004 (Proceedings 4th International Conference, Kraków, Poland, June 6-9, 2004), Part IV. editor / M. Bubak ; xx et al. Berlin : Springer, 2004. pp. 661-666 (Lecture Notes in Computer Science).

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title = "Molecular dynamics and Monte Carlo simulations for heat transfer in micro and nano-channels",

abstract = "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, a dense gas in micro and nano-channels is modelled 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 computational 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.",

author = "A.J.H. Frijns and S.V. Nedea and Markvoort, {Albert. J.} and {Steenhoven, van}, A.A. and P.A.J. Hilbers",

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booktitle = "Computational Science - ICCS 2004 (Proceedings 4th International Conference, Krak{\'o}w, Poland, June 6-9, 2004), Part IV",

address = "Germany",

note = "4th International Conference on Computational Science (ICCS 2004), ICCS 2004 ; Conference date: 06-06-2004 Through 09-06-2004",

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Frijns, AJH , Nedea, SV , Markvoort, AJ , Steenhoven, van, AA & Hilbers, PAJ 2004, Molecular dynamics and Monte Carlo simulations for heat transfer in micro and nano-channels. in M Bubak & X et al. (eds), Computational Science - ICCS 2004 (Proceedings 4th International Conference, Kraków, Poland, June 6-9, 2004), Part IV. Lecture Notes in Computer Science, vol. 3039, Springer, Berlin, pp. 661-666, 4th International Conference on Computational Science (ICCS 2004), Kraków, Poland, 6/06/04. https://doi.org/10.1007/978-3-540-25944-2_85

Molecular dynamics and Monte Carlo simulations for heat transfer in micro and nano-channels. / Frijns, A.J.H.; Nedea, S.V.; Markvoort, Albert. J. et al.
Computational Science - ICCS 2004 (Proceedings 4th International Conference, Kraków, Poland, June 6-9, 2004), Part IV. ed. / M. Bubak; xx et al. Berlin: Springer, 2004. p. 661-666 (Lecture Notes in Computer Science; Vol. 3039).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › Academic › peer-review

TY - GEN

T1 - Molecular dynamics and Monte Carlo simulations for heat transfer in micro and nano-channels

AU - Frijns, A.J.H.

AU - Nedea, S.V.

AU - Markvoort, Albert. J.

AU - Steenhoven, van, A.A.

AU - Hilbers, P.A.J.

N1 - Conference code: 4

PY - 2004

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N2 - 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, a dense gas in micro and nano-channels is modelled 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 computational 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.

AB - 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, a dense gas in micro and nano-channels is modelled 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 computational 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.

U2 - 10.1007/978-3-540-25944-2_85

DO - 10.1007/978-3-540-25944-2_85

M3 - Conference contribution

SN - 978-3-540-22129-6

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BT - Computational Science - ICCS 2004 (Proceedings 4th International Conference, Kraków, Poland, June 6-9, 2004), Part IV

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PB - Springer

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T2 - 4th International Conference on Computational Science (ICCS 2004)

Y2 - 6 June 2004 through 9 June 2004

ER -

Frijns AJH , Nedea SV , Markvoort AJ , Steenhoven, van AA , Hilbers PAJ. Molecular dynamics and Monte Carlo simulations for heat transfer in micro and nano-channels. In Bubak M, et al. X, editors, Computational Science - ICCS 2004 (Proceedings 4th International Conference, Kraków, Poland, June 6-9, 2004), Part IV. Berlin: Springer. 2004. p. 661-666. (Lecture Notes in Computer Science). doi: 10.1007/978-3-540-25944-2_85

Molecular dynamics and Monte Carlo simulations for heat transfer in micro and nano-channels

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