[HTML][HTML] Rapid sampling of stochastic displacements in Brownian dynamics simulations

AM Fiore, F Balboa Usabiaga, A Donev… - The Journal of chemical …, 2017 - pubs.aip.org
We present a new method for sampling stochastic displacements in Brownian Dynamics
(BD) simulations of colloidal scale particles. The method relies on a new formulation for
Ewald summation of the Rotne-Prager-Yamakawa (RPY) tensor, which guarantees that the
real-space and wave-space contributions to the tensor are independently symmetric and
positive-definite for all possible particle configurations. Brownian displacements are drawn
from a superposition of two independent samples: a wave-space (far-field or long-ranged) …

[HTML][HTML] Rapid sampling of stochastic displacements in Brownian dynamics simulations with stresslet constraints

AM Fiore, JW Swan - The Journal of chemical physics, 2018 - pubs.aip.org
Brownian Dynamics simulations are an important tool for modeling the dynamics of soft
matter. However, accurate and rapid computations of the hydrodynamic interactions
between suspended, microscopic components in a soft material are a significant
computational challenge. Here, we present a new method for Brownian dynamics
simulations of suspended colloidal scale particles such as colloids, polymers, surfactants,
and proteins subject to a particular and important class of hydrodynamic constraints. The …
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