Please use this identifier to cite or link to this item: http://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/1679
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dc.contributor.authorGhatage, Dhairyasheelen_US
dc.contributor.authorCHATTERJI, APRATIMen_US
dc.date.accessioned2019-02-14T05:02:29Z
dc.date.available2019-02-14T05:02:29Z
dc.date.issued2013-10en_US
dc.identifier.citationPhysical Review E, 88(4), 043303.en_US
dc.identifier.issn1539-3755en_US
dc.identifier.issn1550-2376en_US
dc.identifier.urihttp://dr.iiserpune.ac.in:8080/xmlui/handle/123456789/1679-
dc.identifier.urihttps://doi.org/10.1103/PhysRevE.88.043303en_US
dc.description.abstractWe introduce a method to obtain steady-state uniaxial exponential-stretching flow of a fluid (akin to extensional flow) in the incompressible limit, which enables us to study the response of suspended macromolecules to the flow by computer simulations. The flow field in this flow is defined by v x = ε x , where v x is the velocity of the fluid and ε is the stretch flow gradient. To eliminate the effect of confining boundaries, we produce the flow in a channel of uniform square cross section with periodic boundary conditions in directions perpendicular to the flow, but simultaneously maintain uniform density of fluid along the length of the tube. In experiments a perfect elongational flow is obtained only along the axis of symmetry in a four-roll geometry or a filament-stretching rheometer. We can reproduce flow conditions very similar to extensional flow near the axis of symmetry by exponential-stretching flow; we do this by adding the right amounts of fluid along the length of the flow in our simulations. The fluid particles added along the length of the tube are the same fluid particles which exit the channel due to the flow; thus mass conservation is maintained in our model by default. We also suggest a scheme for possible realization of exponential-stretching flow in experiments. To establish our method as a useful tool to study various soft matter systems in extensional flow, we embed (i) spherical colloids with excluded volume interactions (modeled by the Weeks-Chandler potential) as well as (ii) a bead-spring model of star polymers in the fluid to study their responses to the exponential-stretched flow and show that the responses of macromolecules in the two flows are very similar. We demonstrate that the variation of number density of the suspended colloids along the direction of flow is in tune with our expectations. We also conclude from our study of the deformation of star polymers with different numbers of arms f that the critical flow gradient ε c at which the star undergoes the coil-to-stretch transition is independent of f for f = 2 , 5 , 10 , and 20.en_US
dc.language.isoenen_US
dc.publisherAmerican Physical Societyen_US
dc.subjectModeling steady-stateen_US
dc.subjectMacromoleculesen_US
dc.subjectMolecular-dynamicsen_US
dc.subjectCollision simulationsen_US
dc.subject2013en_US
dc.titleModeling steady-state dynamics of macromolecules in exponential-stretching flow using multiscale molecular-dynamics–multiparticle-collision simulationsen_US
dc.typeArticleen_US
dc.contributor.departmentDept. of Physicsen_US
dc.identifier.sourcetitlePhysical Review Een_US
dc.publication.originofpublisherForeignen_US
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