Viscous flow simulation in a stenosis model using discrete particle dynamics: a comparison between DPD and CFD

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dc.contributor.authorFeng, R.en
dc.contributor.authorXenos, M.en
dc.contributor.authorGirdhar, G.en
dc.contributor.authorKang, W.en
dc.contributor.authorDavenport, J. W.en
dc.contributor.authorDeng, Y. F.en
dc.contributor.authorBluestein, D.en
dc.date.accessioned2015-11-24T17:21:54Z
dc.date.available2015-11-24T17:21:54Z
dc.identifier.issn1617-7959-
dc.identifier.urihttps://olympias.lib.uoi.gr/jspui/handle/123456789/12536
dc.rightsDefault Licence-
dc.subjectviscous flowen
dc.subjectlennard-jones potentialen
dc.subjectcomputational fluid dynamicsen
dc.subjectmolecular dynamicsen
dc.subjectdiscrete particle dynamicsen
dc.subjectparallelcomputingen
dc.subjectscalable molecular-dynamicsen
dc.subjectlow reynolds-numbersen
dc.subjectblue-gene/l systemen
dc.subjecttransport-coefficientsen
dc.subjectboundary-conditionsen
dc.subjectporous-mediaen
dc.subjectfluiden
dc.subjecthydrodynamicsen
dc.subjectvesselsen
dc.subjectliquiden
dc.titleViscous flow simulation in a stenosis model using discrete particle dynamics: a comparison between DPD and CFDen
heal.abstractFlow and stresses induced by blood flow acting on the blood cellular constituents can be represented to a certain extent by a continuum mechanics approach down to the order of the mu m level. However, the molecular effects of, e. g., adhesion/aggregation bonds of blood clotting can be on the order of nm. The coupling of the disparate length and timescales between such molecular levels and macroscopic transport represents a major computational challenge. To address this challenge, a multiscale numerical approach based on discrete particle dynamics (DPD) methodology derived from molecular dynamics (MD) principles is proposed. The feasibility of the approach was firstly tested for its ability to simulate viscous flow conditions. Simulations were conducted in low Reynolds numbers flows (Re = 25-33) through constricted tubes representing blood vessels with various degrees of stenosis. Multiple discrete particles interacting with each other were simulated, with 1.24-1.36 million particles representing the flow domain and 0.4 million particles representing the vessel wall. The computation was carried out on the massive parallel supercomputer NY BlueGene/L employing NAMD-a parallel MD package for high performance computing (HPC). Typical recirculation zones were formed distal to the stenoses. The velocity profiles and recirculation zones were in excellent agreement with computational fluid dynamics (CFD) 3D Navier-Stokes viscous fluid flow simulations and with classic numerical and experimental results by YC Fung in constricted tubes. This feasibility analysis demonstrates the potential of a methodology that widely departs from a continuum approach to simulate multiscale phenomena such as flow induced blood clotting.en
heal.accesscampus-
heal.fullTextAvailabilityTRUE-
heal.identifier.primaryDOI 10.1007/s10237-011-0297-z-
heal.identifier.secondary<Go to ISI>://000300230600009-
heal.identifier.secondaryhttp://www.springerlink.com/content/v1r51j0709hw3533/fulltext.pdf-
heal.journalNameBiomechanics and Modeling in Mechanobiologyen
heal.journalTypepeer reviewed-
heal.languageen-
heal.publicationDate2012-
heal.publisherSpringer Verlag (Germany)en
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Μαθηματικώνel
heal.typejournalArticle-
heal.type.elΆρθρο Περιοδικούel
heal.type.enJournal articleen

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