Comparison of molecular dynamics and kinetic modeling of gas-surface interaction

A. Frezzotti; S. V. Nedea; A. J. Markvoort; P. Spijker; L. Gibelli

doi:10.1063/1.3076554

Comparison of molecular dynamics and kinetic modeling of gas-surface interaction

A. Frezzotti
, S. V. Nedea
, A. J. Markvoort
, P. Spijker
, L. Gibelli

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

5 Downloads (Pure)

Abstract

The interaction of a dilute monatomic gas with a solid surface is studied by Molecular Dynamics (MD) simulations and by numerical solutions of a recently proposed kinetic model. Following previous investigations, the heat transport between parallel walls and Couette flow have been adopted as test problems. The distribution functions of re-emitted atoms and the accommodation coefficients obtained from the two techniques are compared in different flow conditions. It is shown that the kinetic model predictions are close to MD results.

Original language	English
Title of host publication	Rarified gas dynamics: proceedings of the 26th International Symposium on Rarefied Gas Dynamics (RGD26), July 21 - 25, 2008. Kyoto
Place of Publication	New York
Publisher	American Institute of Physics
Pages	635-640
Number of pages	6
DOIs	https://doi.org/10.1063/1.3076554
Publication status	Published - 2008
Event	26th International Symposium on Rarefied Gas Dynamics, RGD 2008 - Kyoto, Japan Duration: 21 Jul 2008 → 25 Jul 2008 Conference number: 26

Publication series

Name	AIP Conference Proceedings
Volume	1084
ISSN (Print)	0094-243X

Conference

Conference	26th International Symposium on Rarefied Gas Dynamics, RGD 2008
Abbreviated title	RGD 2008
Country/Territory	Japan
City	Kyoto
Period	21/07/08 → 25/07/08

Keywords

Accommodation coefficients
Enskog equation
Gas surface interactions
Molecular Dynamics simulations
Monte Carlo

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10.1063/1.3076554

Cite this

Frezzotti, A., Nedea, S. V., Markvoort, A. J., Spijker, P., & Gibelli, L. (2008). Comparison of molecular dynamics and kinetic modeling of gas-surface interaction. In Rarified gas dynamics: proceedings of the 26th International Symposium on Rarefied Gas Dynamics (RGD26), July 21 - 25, 2008. Kyoto (pp. 635-640). (AIP Conference Proceedings; Vol. 1084). American Institute of Physics. https://doi.org/10.1063/1.3076554

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title = "Comparison of molecular dynamics and kinetic modeling of gas-surface interaction",

abstract = "The interaction of a dilute monatomic gas with a solid surface is studied by Molecular Dynamics (MD) simulations and by numerical solutions of a recently proposed kinetic model. Following previous investigations, the heat transport between parallel walls and Couette flow have been adopted as test problems. The distribution functions of re-emitted atoms and the accommodation coefficients obtained from the two techniques are compared in different flow conditions. It is shown that the kinetic model predictions are close to MD results.",

keywords = "Accommodation coefficients, Enskog equation, Gas surface interactions, Molecular Dynamics simulations, Monte Carlo",

author = "A. Frezzotti and Nedea, \{S. V.\} and Markvoort, \{A. J.\} and P. Spijker and L. Gibelli",

year = "2008",

doi = "10.1063/1.3076554",

language = "English",

series = "AIP Conference Proceedings",

publisher = "American Institute of Physics",

pages = "635--640",

booktitle = "Rarified gas dynamics: proceedings of the 26th International Symposium on Rarefied Gas Dynamics (RGD26), July 21 - 25, 2008. Kyoto",

address = "United States",

note = "26th International Symposium on Rarefied Gas Dynamics, RGD 2008, RGD 2008 ; Conference date: 21-07-2008 Through 25-07-2008",

}

Frezzotti, A, Nedea, SV , Markvoort, AJ, Spijker, P & Gibelli, L 2008, Comparison of molecular dynamics and kinetic modeling of gas-surface interaction. in Rarified gas dynamics: proceedings of the 26th International Symposium on Rarefied Gas Dynamics (RGD26), July 21 - 25, 2008. Kyoto. AIP Conference Proceedings, vol. 1084, American Institute of Physics, New York, pp. 635-640, 26th International Symposium on Rarefied Gas Dynamics, RGD 2008, Kyoto, Japan, 21/07/08. https://doi.org/10.1063/1.3076554

Comparison of molecular dynamics and kinetic modeling of gas-surface interaction. / Frezzotti, A.; Nedea, S. V.; Markvoort, A. J. et al.
Rarified gas dynamics: proceedings of the 26th International Symposium on Rarefied Gas Dynamics (RGD26), July 21 - 25, 2008. Kyoto. New York: American Institute of Physics, 2008. p. 635-640 (AIP Conference Proceedings; Vol. 1084).

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

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AU - Gibelli, L.

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AB - The interaction of a dilute monatomic gas with a solid surface is studied by Molecular Dynamics (MD) simulations and by numerical solutions of a recently proposed kinetic model. Following previous investigations, the heat transport between parallel walls and Couette flow have been adopted as test problems. The distribution functions of re-emitted atoms and the accommodation coefficients obtained from the two techniques are compared in different flow conditions. It is shown that the kinetic model predictions are close to MD results.

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KW - Enskog equation

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DO - 10.1063/1.3076554

M3 - Conference contribution

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SP - 635

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BT - Rarified gas dynamics: proceedings of the 26th International Symposium on Rarefied Gas Dynamics (RGD26), July 21 - 25, 2008. Kyoto

PB - American Institute of Physics

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T2 - 26th International Symposium on Rarefied Gas Dynamics, RGD 2008

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Frezzotti A, Nedea SV , Markvoort AJ, Spijker P, Gibelli L. Comparison of molecular dynamics and kinetic modeling of gas-surface interaction. In Rarified gas dynamics: proceedings of the 26th International Symposium on Rarefied Gas Dynamics (RGD26), July 21 - 25, 2008. Kyoto. New York: American Institute of Physics. 2008. p. 635-640. (AIP Conference Proceedings). doi: 10.1063/1.3076554

Comparison of molecular dynamics and kinetic modeling of gas-surface interaction

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