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Molecular dynamics simulations of cavitation bubble collapse and sonoluminescence

Schanz, Daniel and Metten, Burkhard and Kurz, Thomas and Lauterborn, Werner (2012) Molecular dynamics simulations of cavitation bubble collapse and sonoluminescence. New Journal of Physics, Vol. 14 (11), pp. 1-35. IOP Publishing Ltd and Deutsche Physikalische Gesellschaft. DOI: 10.1088/1367-2630/14/11/113019. ISSN 1367-2630.

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Official URL: http://www.nip.org/

Abstract

The dynamics of the medium within a collapsing and rebounding cavitation bubble is investigated by means of molecular dynamics (MD) simulations adopting a hard sphere model for the species inside the bubble. The dynamics of the surrounding liquid (water) is modelled by a Rayleigh–Plesset (RP)-type equation coupled to the bubble interior by the gas pressure at the wall obtained from the MD calculations. Water vapour and vapour chemistry are included in the RP-MD model as well as mass and energy transfer through the bubble wall. The calculations reveal the evolution of temperature, density and pressure within a bubble at conditions typical of single-bubble sonoluminescence and predict how the particle numbers and densities of different vapour dissociation and reaction products in the bubble develop in space and time. Among the parameters varied are the sound pressure amplitude of a sonoluminescence bubble in water, the noble gas mixture in the bubble and the accommodation coefficients for mass and energy exchange through the bubble wall. Simulation particle numbers up to 10 million are used; most calculations, however, are done with one million particles to save computer run time. Validating the MD code has been done by comparing MD results with solutions obtained by continuum mechanics calculations for the Euler equations.

Document Type:Article
Title:Molecular dynamics simulations of cavitation bubble collapse and sonoluminescence
Authors:
AuthorsInstitution or Email of Authors
Schanz, DanielUNSPECIFIED
Metten, BurkhardDrittes Physikalisches Institut, Universität Göttingen
Kurz, ThomasDrittes Physikalisches Institut, Universität Göttingen
Lauterborn, WernerDrittes Physikalisches Institut, Universität Göttingen
Date:2012
Journal or Publication Title:New Journal of Physics
Refereed publication:Yes
In Open Access:Yes
In SCOPUS:Yes
In ISI Web of Science:Yes
Volume:Vol. 14
DOI:10.1088/1367-2630/14/11/113019
Page Range:pp. 1-35
Publisher:IOP Publishing Ltd and Deutsche Physikalische Gesellschaft
ISSN:1367-2630
Status:Published
Keywords:cavitation bubble, molecular dynamics (MD), sonoluminescence bubble, single-bubble
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Aeronautics
HGF - Program Themes:Aircraft Research
DLR - Research area:Aeronautics
DLR - Program:L AR - Aircraft Research
DLR - Research theme (Project):L - Simulation & Validation
Location: Göttingen
Institutes and Institutions:Institute of Aerodynamics and Flow Technology > Experimental Methods
Deposited By: Ilka Micknaus
Deposited On:19 Nov 2012 16:04
Last Modified:26 Mar 2013 13:39

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