Home > Research > Publications & Outputs > Generalized Rotne–Prager–Yamakawa approximation...

Electronic data

  • JCP20-AR-03742

    Rights statement: Copyright 2021 American Institute of Physics. The following article appeared in The journal of Chemical Physics, 154, 2021 and may be found at http://dx.doi.org/10.1063/5.0030175 This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

    Accepted author manuscript, 496 KB, PDF document

    Available under license: CC BY-NC: Creative Commons Attribution-NonCommercial 4.0 International License

Links

Text available via DOI:

View graph of relations

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

Research output: Contribution to journalJournal articlepeer-review

Published
Close
Article number124905
<mark>Journal publication date</mark>28/03/2021
<mark>Journal</mark>Journal of Chemical Physics
Issue number12
Volume154
Number of pages10
Publication StatusPublished
<mark>Original language</mark>English

Abstract

Inclusion 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.

Bibliographic note

Copyright 2021 American Institute of Physics. The following article appeared in The journal of Chemical Physics, 154, 2021 and may be found at http://dx.doi.org/10.1063/5.0030175 This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.