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2011-09-20Buch DOI: 10.18452/2806
Coupled Navier Stokes-Molecular Dynamics Simulation using Iterative Operator-Splitting Methods
dc.contributor.authorGeiser, Jürgen
dc.contributor.authorSteijl, Rene
dc.date.accessioned2017-06-15T18:21:50Z
dc.date.available2017-06-15T18:21:50Z
dc.date.created2011-09-20
dc.date.issued2011-09-20
dc.identifier.issn0863-0976
dc.identifier.urihttp://edoc.hu-berlin.de/18452/3458
dc.description.abstractIn this paper, we contribute a multi-scale method based on an iterative operator splitting method, which takes into account the disparity of the macro- and microscopic scales. We couple Navier Stokes and Molecular Dynamics equations, while taken into account their underlying scales. Combining relaxation methods and averaging techniques we can optimize the computational effort. The proposed method enables simulations in which the continuum flow aspects of the flow are described by the Navier-Stokes equations at time-scales appropriate for this level of modeling, while the viscous stresses within the Navier-Stokes equations are the result of Molecular Dynamics Simulations, with much smaller time-scales. The main benefit of the proposed method is that time-dependent flows can then be modeled with a computational work which is significantly smaller than when the complete flow would be modeled at molecular level, as a result of the different time-scales at the continuum and molecular levels, enabled by the application of the iterative operator-splitting method. Finally we present numerical results for the modified methods and applications to real-life flow problems.eng
dc.language.isoeng
dc.publisherHumboldt-Universität zu Berlin, Mathematisch-Naturwissenschaftliche Fakultät II, Institut für Mathematik
dc.subjectNavier-Stokes equationeng
dc.subjectMolecular dynamics simulationeng
dc.subjectiterative operator-splitting methodeng
dc.subjectcoupling of micro- and macro-systemseng
dc.subjectdual-time stepping methodeng
dc.subject.ddc510 Mathematik
dc.titleCoupled Navier Stokes-Molecular Dynamics Simulation using Iterative Operator-Splitting Methods
dc.typebook
dc.identifier.urnurn:nbn:de:kobv:11-100193013
dc.identifier.doihttp://dx.doi.org/10.18452/2806
local.edoc.container-titlePreprints aus dem Institut für Mathematik
local.edoc.pages28
local.edoc.type-nameBuch
local.edoc.container-typeseries
local.edoc.container-type-nameSchriftenreihe
local.edoc.container-volume2009
local.edoc.container-issue11
local.edoc.container-year2009
local.edoc.container-erstkatid2075199-0

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