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dc.contributor.authorStatt, Antonia
dc.contributor.authorHoward, Michael P.
dc.contributor.authorPanagiotopoulos, Athanassios Z.
dc.date.accessioned2021-03-11T11:14:48Z
dc.date.available2021-03-11T11:14:48Z
dc.date.issued2019-04-25
dc.identifier.citationStatt, A., Howard, M. P., & Panagiotopoulos, A. Z. (2019). Unexpected secondary flows in reverse nonequilibrium shear flow simulations. Physical Review Fluids, 4(4). doi:10.1103/physrevfluids.4.043905
dc.identifier.issn2469-990X
dc.identifier.doi10.1103/physrevfluids.4.043905
dc.identifier.urihttp://hdl.handle.net/10754/668086
dc.description.abstractWe simulated two particle-based fluid models, namely multiparticle collision dynamics and dissipative particle dynamics, under shear using reverse nonequilibrium simulations (RNES). In cubic periodic simulation boxes, the expected shear flow profile for a Newtonian fluid developed, consistent with the fluid viscosities. However, unexpected secondary flows along the shear gradient formed when the simulation box was elongated in the flow direction. The standard shear flow profile was obtained when the simulation box was longer in the shear-gradient dimension than the flow dimension, while the secondary flows were always present when the flow dimension was at least 25% larger than the shear-gradient dimension. The secondary flows satisfy the boundary conditions imposed by the RNES and give a total flow field with a lower rate of viscous dissipation than the corresponding unidirectional flows. This work highlights a previously unappreciated limitation of RNES for generating shear flow in simulation boxes that are elongated in the flow dimension, an important consideration when applying RNES to complex fluids like polymer solutions.
dc.description.sponsorshipWe thank Florian Müller-Plathe and Howard Stone for insightful discussions. We gratefully acknowledge use of computational resources supported by the Princeton Institute for Computational Science and Engineering (PICSciE) and the Office of Information Technology’s High Performance Computing Center and Visualization Laboratory at Princeton University. Financial support for this work was provided by the Princeton Center for Complex Materials, a US National Science Foundation Materials Research Science and Engineering Center (Award No. DMR-1420541), and the King Abdullah University of Science and Technology (KAUST) Office of Sponsored Research (OSR) under Award No. OSR-2016-CRG5-3073.
dc.publisherAmerican Physical Society (APS)
dc.relation.urlhttps://link.aps.org/doi/10.1103/PhysRevFluids.4.043905
dc.rightsArchived with thanks to Physical Review Fluids
dc.titleUnexpected secondary flows in reverse nonequilibrium shear flow simulations
dc.typeArticle
dc.identifier.journalPhysical Review Fluids
dc.eprint.versionPost-print
dc.contributor.institutionDepartment of Chemical and Biological Engineering, Princeton University, Princeton, New Jersey 08544, USA
dc.contributor.institutionPresent address: McKetta Department of Chemical Engineering, University of Texas at Austin, Austin, Texas 78712, USA; mphoward@utexas.edu
dc.identifier.volume4
dc.identifier.issue4
dc.identifier.arxivid1811.04097
kaust.grant.numberOSR-2016-CRG5-3073
dc.identifier.eid2-s2.0-85065041766
kaust.acknowledged.supportUnitCRG
kaust.acknowledged.supportUnitInformation Technology
kaust.acknowledged.supportUnitOffice of Sponsored Research (OSR)
kaust.acknowledged.supportUnitVisualization Laboratory


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