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Title: Brownian dynamics of confined suspensions of active microrollers

Abstract

In this study, we develop efficient numerical methods for performing many-body Brownian dynamics simulations of a recently observed fingering instability in an active suspension of colloidal rollers sedimented above a wall [M. Driscoll, B. Delmotte, M. Youssef, S. Sacanna, A. Donev, and P. Chaikin, Nat. Phys. (2016), preprint arXiv:1609.08673. We present a stochastic Adams-Bashforth integrator for the equations of Brownian dynamics, which has the same cost but is more accurate than the widely used Euler-Maruyama scheme, and use a random finite difference to capture the stochastic drift proportional to the divergence of the configuration-dependent mobility matrix. We generate the Brownian increments using a Krylov method and show that for particles confined to remain in the vicinity of a no-slip wall by gravity or active flows, the number of iterations is independent of the number of particles. Our numerical experiments with active rollers show that the thermal fluctuations set the characteristic height of the colloids above the wall, both in the initial condition and the subsequent evolution dominated by active flows. Finally, the characteristic height in turn controls the time scale and wavelength for the development of the fingering instability

Authors:
ORCiD logo [1];  [1];  [1]
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  1. New York Univ. (NYU), NY (United States). Courant Institute of Mathematical Sciences
Publication Date:
Research Org.:
New York Univ. (NYU), NY (United States). Courant Institute of Mathematical Sciences
Sponsoring Org.:
USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR). Scientific Discovery through Advanced Computing (SciDAC)
OSTI Identifier:
1465959
Alternate Identifier(s):
OSTI ID: 1361804
Grant/Contract Number:  
SC0008271
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 146; Journal Issue: 13; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 97 MATHEMATICS AND COMPUTING

Citation Formats

Balboa Usabiaga, Florencio, Delmotte, Blaise, and Donev, Aleksandar. Brownian dynamics of confined suspensions of active microrollers. United States: N. p., 2017. Web. doi:10.1063/1.4979494.
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Balboa Usabiaga, Florencio, Delmotte, Blaise, & Donev, Aleksandar. Brownian dynamics of confined suspensions of active microrollers. United States. https://doi.org/10.1063/1.4979494
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Balboa Usabiaga, Florencio, Delmotte, Blaise, and Donev, Aleksandar. Mon . "Brownian dynamics of confined suspensions of active microrollers". United States. https://doi.org/10.1063/1.4979494. https://www.osti.gov/servlets/purl/1465959.
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@article{osti_1465959,
title = {Brownian dynamics of confined suspensions of active microrollers},
author = {Balboa Usabiaga, Florencio and Delmotte, Blaise and Donev, Aleksandar},
abstractNote = {In this study, we develop efficient numerical methods for performing many-body Brownian dynamics simulations of a recently observed fingering instability in an active suspension of colloidal rollers sedimented above a wall [M. Driscoll, B. Delmotte, M. Youssef, S. Sacanna, A. Donev, and P. Chaikin, Nat. Phys. (2016), preprint arXiv:1609.08673. We present a stochastic Adams-Bashforth integrator for the equations of Brownian dynamics, which has the same cost but is more accurate than the widely used Euler-Maruyama scheme, and use a random finite difference to capture the stochastic drift proportional to the divergence of the configuration-dependent mobility matrix. We generate the Brownian increments using a Krylov method and show that for particles confined to remain in the vicinity of a no-slip wall by gravity or active flows, the number of iterations is independent of the number of particles. Our numerical experiments with active rollers show that the thermal fluctuations set the characteristic height of the colloids above the wall, both in the initial condition and the subsequent evolution dominated by active flows. Finally, the characteristic height in turn controls the time scale and wavelength for the development of the fingering instability},
doi = {10.1063/1.4979494},
journal = {Journal of Chemical Physics},
number = 13,
volume = 146,
place = {United States},
year = {Mon Apr 03 00:00:00 EDT 2017},
month = {Mon Apr 03 00:00:00 EDT 2017}
}
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https://doi.org/10.1063/1.4979494
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text, January 2013

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preprint, January 2015

Simulating Brownian suspensions with fluctuating hydrodynamics
text, January 2015

Rapid Sampling of Stochastic Displacements in Brownian Dynamics Simulations
text, January 2016

Fast Ewald summation for Stokesian particle suspensions: FAST EWALD SUMMATION FOR STOKESIAN PARTICLE SUSPENSIONS
journal, September 2014

  • Af Klinteberg, Ludvig; Tornberg, Anna-Karin
  • International Journal for Numerical Methods in Fluids, Vol. 76, Issue 10
  • DOI: 10.1002/fld.3953

Generalization of the Rotne–Prager–Yamakawa mobility and shear disturbance tensors
journal, August 2013

  • Wajnryb, Eligiusz; Mizerski, Krzysztof A.; Zuk, Pawel J.
  • Journal of Fluid Mechanics, Vol. 731
  • DOI: 10.1017/jfm.2013.402

Tracer trajectories and displacement due to a micro-swimmer near a surface
journal, May 2015

  • Mathijssen, A. J. T. M.; Pushkin, D. O.; Yeomans, J. M.
  • Journal of Fluid Mechanics, Vol. 773
  • DOI: 10.1017/jfm.2015.269

Simple and efficient representations for the fundamental solutions of Stokes flow in a half-space
journal, July 2015

  • Gimbutas, Z.; Greengard, L.; Veerapaneni, S.
  • Journal of Fluid Mechanics, Vol. 776
  • DOI: 10.1017/jfm.2015.302

Dynamic simulation of hydrodynamically interacting particles
journal, July 1987

Construction of Langevin forces in the simulation of hydrodynamic interaction
journal, July 1986

Hydrodynamic interactions in long chain polymers: Application of the Chebyshev polynomial approximation in stochastic simulations
journal, August 2000

  • Jendrejack, Richard M.; Graham, Michael D.; de Pablo, Juan J.
  • The Journal of Chemical Physics, Vol. 113, Issue 7
  • DOI: 10.1063/1.1305884

Accelerated Stokesian dynamics: Brownian motion
journal, June 2003

  • Banchio, Adolfo J.; Brady, John F.
  • The Journal of Chemical Physics, Vol. 118, Issue 22
  • DOI: 10.1063/1.1571819

Variational Treatment of Hydrodynamic Interaction in Polymers
journal, June 1969

  • Rotne, Jens; Prager, Stephen
  • The Journal of Chemical Physics, Vol. 50, Issue 11
  • DOI: 10.1063/1.1670977

Simulation of polymer dynamics. II. Relaxation rates and dynamic viscosity
journal, August 1978

  • Fixman, Marshall
  • The Journal of Chemical Physics, Vol. 69, Issue 4
  • DOI: 10.1063/1.436726

Finding the ciliary beating pattern with optimal efficiency
journal, September 2011

  • Osterman, N.; Vilfan, A.
  • Proceedings of the National Academy of Sciences, Vol. 108, Issue 38
  • DOI: 10.1073/pnas.1107889108

Brownian dynamics close to a wall studied by photon correlation spectroscopy from an evanescent wave
journal, July 1986

Living Crystals of Light-Activated Colloidal Surfers
journal, January 2013

Stokesian Dynamics
journal, January 1988

Simulating Brownian suspensions with fluctuating hydrodynamics
text, January 2015

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