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Generalized Rotne–Prager–Yamakawa approximation for Brownian dynamics in shear flow in bounded, unbounded, and periodic domains

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dc.abstract.enInclusion of hydrodynamic interactions is essential for a quantitatively accurate Brownian dynamics simulation of colloidal suspensions or polymer solutions. We use the generalized Rotne–Prager–Yamakawa (GRPY) approximation, which takes into account all long-ranged terms in the hydrodynamic interactions, to derive the complete set of hydrodynamic matrices in different geometries: unbounded space, periodic boundary conditions of Lees–Edwards type, and vicinity of a free surface. The construction is carried out both for non-overlapping as well as for overlapping particles. We include the dipolar degrees of freedom, which allows one to use this formalism to simulate the dynamics of suspensions in a shear flow and to study the evolution of their rheological properties. Finally, we provide an open-source numerical package, which implements the GRPY algorithm in Lees–Edwards periodic boundary conditions.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorCichocki, Bogdan
dc.contributor.authorŻuk, Paweł J.
dc.contributor.authorSzymczak, Piotr
dc.date.accessioned2024-01-25T02:04:58Z
dc.date.available2024-01-25T02:04:58Z
dc.date.issued2021
dc.description.financePublikacja bezkosztowa
dc.description.number12
dc.description.volume154
dc.identifier.doi10.1063/5.0030175
dc.identifier.issn0021-9606
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/107797
dc.identifier.weblinkhttps://aip.scitation.org/doi/pdf/10.1063/5.0030175
dc.languageeng
dc.pbn.affiliationphysical sciences
dc.relation.ispartofJournal of Chemical Physics
dc.relation.pages124905
dc.rightsClosedAccess
dc.sciencecloudnosend
dc.titleGeneralized Rotne–Prager–Yamakawa approximation for Brownian dynamics in shear flow in bounded, unbounded, and periodic domains
dc.typeJournalArticle
dspace.entity.typePublication