Multi-particle collision dynamics: Flow around a circular and a square cylinder

Lamura, A.; Gompper, Gerhard; Ihle, Thomas; Kroll, D. M.

doi:10.1209/epl/i2001-00522-9

Cited by 232 publications

(271 citation statements)

References 16 publications

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“…However, because of this shifting, partially occupied cells can emerge when the simulation box and cell boundaries do not coincide with each other. This procedure is unavoidable for small mean free paths λ, and it has been demonstrated in ref 31 that the boundary conditions have to be appropriately modified in such a case. We have tested the validity of our implementation by applying a Poiseuille flow as described in ref 32 and found that the solvent velocity correctly extrapolates to zero at the system boundaries.…”

Section: Simulation Methodsmentioning

confidence: 99%

Branched Polymers under Shear

Nikoubashman

Likos

2010

Macromolecules

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By employing a multiscale simulational approach that combines multiparticle-collision dynamics for the solvent with standard molecular dynamics for the monomers, we examine the behavior of dendritic macromolecules under shear. We analyze quantitatively the shape and anisotropy of the molecules and its dependence on the shear rate, the molecular generation, and the stiffness of the bonds. The role of hydrodynamics is brought forward by comparing our results with those obtained in the absence of coupling between monomers and solvent. We finally analyze the effects of charge and counterions in the system and complement our simulations with numerical results from Poisson-Boltzmann theory.

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Section: Simulation Methodsmentioning

confidence: 99%

Branched Polymers under Shear

Nikoubashman

Likos

2010

Macromolecules

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“…In the thermostat, Eq. (3), we kept k B T = 0.01 (Lamura et al 2001). To verify our solutions, we used the least square fitting of Eq.…”

Section: Porous Channelmentioning

confidence: 99%

Sediment–Water Interface Flow with the Multiparticle Collision Dynamics

Matyka

2017

Transp Porous Med

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Multiparticle collision dynamics is a relatively new algorithm of fluid flow simulations that has been applied mostly to flows around simple objects. One might ask how it behaves in more complex flows. We extend the basic algorithm to handle flows in porous media. For this, we introduce a particle-level drag force. The force hinders the flow, which results in global resistance to flow and decrease of permeability. The extended algorithm is validated in the flow through a porous channel and compared with an analytical solution. Some basic properties of the solver are investigated. Finally, we use the solver to capture solutions in the sediment-water interface flow.

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“…We will focus here on the multi-particle collision dynamics (MPC) technique [4,5,6], also called stochastic rotation dynamics [7] (SRD), originally developed for Newtonian fluids. This particle-based hydrodynamics method consists of alternating streaming and collision steps.…”

Section: Introductionmentioning

confidence: 99%

Multiparticle collision dynamics modeling of viscoelastic fluids

Tao

Götze

Gompper

2008

The Journal of Chemical Physics

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In order to investigate the rheological properties of viscoelastic fluids by mesoscopic hydrodynamics methods, we develop a multi-particle collision dynamics (MPC) model for a fluid of harmonic dumbbells. The algorithm consists of alternating streaming and collision steps. The advantage of the harmonic interactions is that the integration of the equations of motion in the streaming step can be performed analytically. Therefore, the algorithm is computationally as efficient as the original MPC algorithm for Newtonian fluids. The collision step is the same as in the original MPC method. All particles are confined between two solid walls moving oppositely, so that both steady and oscillatory shear flows can be investigated. Attractive wall potentials are applied to obtain a nearly uniform density everywhere in the simulation box. We find that both in steady and oscillatory shear flow, a boundary layer develops near the wall, with a higher velocity gradient than in the bulk. The thickness of this layer is proportional to the average dumbbell size. We determine the zero-shear viscosities as a function of the spring constant of the dumbbells and the mean free path. For very high shear rates, a very weak "shear thickening" behavior is observed. Moreover, storage and loss moduli are calculated in oscillatory shear, which show that the viscoelastic properties at low and moderate frequencies are consistent with a Maxwell fluid behavior. We compare our results with a kinetic theory of dumbbells in solution, and generally find good agreement.

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Multi-particle collision dynamics: Flow around a circular and a square cylinder

Cited by 232 publications

References 16 publications

Branched Polymers under Shear

Branched Polymers under Shear

Sediment–Water Interface Flow with the Multiparticle Collision Dynamics

Multiparticle collision dynamics modeling of viscoelastic fluids

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