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Accelerated Stokesian dynamics: Brownian motion

J. Chem. Phys. 118, 10323 (2003); doi:10.1063/1.1571819

Issue Date: 8 June 2003

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Adolfo J. Banchio and John F. Brady
Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125
A new Stokesian dynamics (SD) algorithm for Brownian suspensions is presented. The implementation is based on the recently developed accelerated Stokesian dynamics (ASD) simulation method [Sierou and Brady, J. Fluid Mech. 448, 115 (2001)] for non-Brownian particles. As in ASD, the many-body long-range hydrodynamic interactions are computed using fast Fourier transforms, and the resistance matrix is inverted iteratively, in order to keep the computational cost O(N log N). A fast method for computing the Brownian forces acting on the particles is applied by splitting them into near- and far-field contributions to avoid the O(N3) computation of the square root of the full resistance matrix. For the near-field part, representing the forces as a sum of pairwise contributions reduces the cost to O(N); and for the far-field part, a Chebyshev polynomial approximation for the inverse of the square root of the mobility matrix results in an O(N1.25 log N) computational cost. The overall scaling of the method is thus roughly of O(N1.25 log N) and makes possible the simulation of large systems, which are necessary for studying long-time dynamical properties and/or polydispersity effects in colloidal dispersions. In this work the method is applied to study the rheology of concentrated colloidal suspensions, and results are compared with conventional SD. Also, a faster approximate method is presented and its accuracy discussed. ©2003 American Institute of Physics.
History: Received 21 November 2002; accepted 12 March 2003
Permalink: http://link.aip.org/link/?JCPSA6/118/10323/1
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0021-9606 (print)   1089-7690 (online)
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REFERENCES (20)
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