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

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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.
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Generalized Rotne–Prager–Yamakawa approximation for Brownian dynamics in shear flow in bounded, unbounded, and periodic domains. / Cichocki, Bogdan; Szymczak, Piotr; Zuk, Pawel.
In: Journal of Chemical Physics, Vol. 154, No. 12, 124905, 28.03.2021.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Bibtex

@article{0ff2f4dca904447c9c0399fa2446fdf7,

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

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.",

author = "Bogdan Cichocki and Piotr Szymczak and Pawel Zuk",

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. ",

year = "2021",

month = mar,

day = "28",

doi = "10.1063/5.0030175",

language = "English",

volume = "154",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "AMER INST PHYSICS",

number = "12",

}

RIS

TY - JOUR

T1 - Generalized Rotne–Prager–Yamakawa approximation for Brownian dynamics in shear flow in bounded, unbounded, and periodic domains

AU - Cichocki, Bogdan

AU - Szymczak, Piotr

AU - Zuk, Pawel

N1 - 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.

PY - 2021/3/28

Y1 - 2021/3/28

N2 - 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.

AB - 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.

U2 - 10.1063/5.0030175

DO - 10.1063/5.0030175

M3 - Journal article

VL - 154

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 12

M1 - 124905

ER -

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