Two computational models for simulating the tumbling motion of elongated particles in fluids

Bartuschat, Dominik; Fischermeier, Ellen; Gustavsson, Katarina; Rüde, Ulrich

doi:10.1016/j.compfluid.2015.12.010

Cited by 5 publications

(10 citation statements)

References 45 publications

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“…when executing Eqs. (1) and (2). However, as the particle moves across the computational domain, cells will eventually be converted from solid to fluid and vice versa.…”

Section: Pdf Reconstructionmentioning

confidence: 99%

A comparative study of fluid-particle coupling methods for fully resolved lattice Boltzmann simulations

Rettinger

Rüde

2017

Computers & Fluids

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The direct numerical simulation of particulate systems offers a unique approach to study the dynamics of fluid-solid suspensions by fully resolving the submerged particles and without introducing empirical models. For the lattice Boltzmann method, different variants exist to incorporate the fluid-particle interaction into the simulation. This paper provides a detailed and systematic comparison of two different methods, namely the momentum exchange method and the partially saturated cells method by Noble and Torczynski. Three subvariants of each method are used in the benchmark scenario of a single heavy sphere settling in ambient fluid to study their characteristics and accuracy for particle Reynolds numbers from 185 up to 365. The sphere must be resolved with at least 24 computational cells per diameter to achieve velocity errors below 5%. The momentum exchange method is found to be more accurate in predicting the streamwise velocity component whereas the partially saturated cells method is more accurate in the spanwise components. The study reveals that the resolution should be chosen with respect to the coupling dynamics, and not only based on the flow properties, to avoid large errors in the fluid-particle interaction.

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“…when executing Eqs. (1) and (2). However, as the particle moves across the computational domain, cells will eventually be converted from solid to fluid and vice versa.…”

Section: Pdf Reconstructionmentioning

confidence: 99%

A comparative study of fluid-particle coupling methods for fully resolved lattice Boltzmann simulations

Rettinger

Rüde

2017

Computers & Fluids

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“…The presented algorithm can be applied to find design parameters in industrial and medical applications, e. g., for optimal separation efficiency of charged biological particles in lab-on-a-chip devices, depending on fluid, particle, and electrolyte properties. Our algorithms were shown to correctly recover fluid-particle interactions for elongated particles in [32]. These future simulations may therefore include suspended, possibly charged particles of various shapes including spheres, spherocylinders, and particles of more complex shapes, e. g., to represent different biological particles.…”

Section: Resultsmentioning

confidence: 92%

“…To increase the computational efficiency of the implementation, the compute-intensive collide step and the memory-intensive stream step are fused to a stream-collide step. In the simulations presented in this article, no-slip and free-slip BCs are applied as described in [32].…”

Section: Lattice Boltzmann Methods With Forcingmentioning

confidence: 99%

“…In a previous article, we have shown that the implemented fluid-particle interaction algorithm for arbitrarily shaped objects efficiently recovers hydrodynamic interactions also for elongated particles [32]. Moreover, we presented a parallel multiphysics algorithm for charged particles in the absence of ions in the fluid in [31].…”

Section: Multiphysics Coupling Strategymentioning

confidence: 98%

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A scalable multiphysics algorithm for massively parallel direct numerical simulations of electrophoretic motion

Bartuschat¹,

Rüde²

2018

Journal of Computational Science

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In this article we introduce a novel coupled algorithm for massively parallel direct numerical simulations of electrophoresis in microfluidic flows. This multiphysics algorithm employs an Eulerian description of fluid and ions, combined with a Lagrangian representation of moving charged particles. The fixed grid facilitates efficient solvers and the employed lattice Boltzmann method can efficiently handle complex geometries. Validation experiments with more than 70 000 time steps are presented, together with scaling experiments with over 4 · 10 6 particles and 1.96 · 10 11 grid cells for both hydrodynamics and electric potential. We achieve excellent performance and scaling on up to 65 536 cores of a current supercomputer.At the finest level of resolution, fluid, ions, and particles are simulated by Lagrangian approaches. These explicit solvent methods [37] typically apply coarse-grained molecular dynamics (MD) models to describe the motion of fluid molecules and incorporate Brownian motion [38]. The mesoscale dissipative particle dynamics method is applied in [39] to simulate electrophoresis of a polyelectrolyte in a nanochannel. Another explicit solvent method is presented in [40] for simulating DNA electrophoresis, modeling DNA as a polymer. In both methods the polymer is represented by bead-spring chains with beads represented by a truncated Lennard-Jones potential and connected by elastic spring potentials. Explicit solvent models, however, are computationally very expensive, especially for large numbers of fluid molecules due to pairwise interactions [40]. Moreover, the resolution of solvent, macromolecules, and ions on the same scale limits the maximal problem sizes that can be simulated [41]. Also the mapping of measurable properties from colloidal suspensions to these particle-based methods is problematic [37]. The high computational effort is significantly reduced in implicit particle-based methods that incorporate hydrodynamic interactions into the inter-particle forces. Such methods are applied in [37] and [42] to simulate electrophoretic deposition under consideration of Brownian motion and van der Waals forces. Nevertheless, these methods are restricted to few particle shapes and hydrodynamic interactions in Stokes flow.Euler-Lagrange methods constitute the intermediate level of resolution. These approaches employ Eulerian methods to simulate the fluid phase, whereas the motion of individual particles is described by Newtonian mechanics. For simulations of particles in steady-state motion, the resolved particles can be modeled as fixed while the moving fluid is modeled by an Eulerian approach. In [43] the finite volume method is applied to simulate electrophoresis of up to two stagnant toroids in a moving fluid, employing the Hückel approximation for a fixed ζ-potential and different electrical double layer thicknesses. The steady-state electrophoretic motion of particles with low surface potentials under a weak applied electric field in a charged cylindrical pore is simulated in [44] for a single c...

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“…37,38 Similar symmetric periodic orbits of two elongated particles have been also found using the slender body approximation and the 3D lattice Boltzmann method for spherocylinders in a cubic periodic box. 39 In this reference, the fluid velocity field around the sedimenting particles has also been analyzed.…”

Section: Introductionmentioning

confidence: 99%

Sedimenting pairs of elastic microfilaments

Bukowicki

Ekiel-Jeżewska

2019

Soft Matter

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Two computational models for simulating the tumbling motion of elongated particles in fluids

Cited by 5 publications

References 45 publications

A comparative study of fluid-particle coupling methods for fully resolved lattice Boltzmann simulations

A comparative study of fluid-particle coupling methods for fully resolved lattice Boltzmann simulations

A scalable multiphysics algorithm for massively parallel direct numerical simulations of electrophoretic motion

Sedimenting pairs of elastic microfilaments

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