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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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.
|Title:||Molecular dynamics simulations of cavitation bubble collapse and sonoluminescence|
|Journal or Publication Title:||New Journal of Physics|
|In Open Access:||Yes|
|In ISI Web of Science:||Yes|
|Page Range:||pp. 1-35|
|Publisher:||IOP Publishing Ltd and Deutsche Physikalische Gesellschaft|
|Keywords:||cavitation bubble, molecular dynamics (MD), sonoluminescence bubble, single-bubble|
|HGF - Research field:||Aeronautics, Space and Transport|
|HGF - Program:||Aeronautics|
|HGF - Program Themes:||L AR - Aircraft Research|
|DLR - Research area:||Aeronautics|
|DLR - Program:||L AR - Aircraft Research|
|DLR - Research theme (Project):||L - Simulation & Validation|
|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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