Dynamic regimes of fluids simulated by multiparticle-collision dynamics

Ripoll, Marisol; Mussawisade, K.; Winkler, Roland G.; Gompper, Gerhard

doi:10.1103/physreve.72.016701

Cited by 164 publications

(253 citation statements)

References 42 publications

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“…Over the last decades various mesoscopic simulation methods have been developed to bridge such an enormous gap. Here, we employ an especially convenient hybrid scheme that describes the solvent by MPC which is a coarse-grained particle-based method [23][24][25][26][27][28], while the interactions of the Janus particle with the solvent are simulated by standard molecular dynamics (MD).…”

Section: Simulation Of a Janus Microswimmer In Solutionmentioning

confidence: 99%

Hydrodynamic simulations of self-phoretic microswimmers

2014

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A mesoscopic hydrodynamic model to simulate synthetic self-propelled Janus particles which is thermophoretically or diffusiophoretically driven is here developed. We first propose a model for a passive colloidal sphere which reproduces the correct rotational dynamics together with strong phoretic effect. This colloid solution model employs a multiparticle collision dynamics description of the solvent, and combines potential interactions with the solvent, with stick boundary conditions. Asymmetric and specific colloidal surface is introduced to produce the properties of self-phoretic Janus particles. A comparative study of Janus and microdimer phoretic swimmers is performed in terms of their swimming velocities and induced flow behavior. Self-phoretic microdimers display long range hydrodynamic interactions and can be characterized as pullers or pushers. In contrast, Janus particles are characterized by short range hydrodynamic interactions and behave as neutral swimmers. Our model nicely mimics those recent experimental realization of the self-phoretic Janus particles.

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Section: Simulation Of a Janus Microswimmer In Solutionmentioning

confidence: 99%

Hydrodynamic simulations of self-phoretic microswimmers

2014

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“…The affect is particularly pronounced, however, for the self-diffusion coefficient, for which there is no collisional contribution. Indeed, Ripoll et al [25,26] have observed that the self diffusion coefficient is significantly larger than the theoretical prediction of Ref. [17,20] for small λ/a.…”

Section: Introductionmentioning

confidence: 99%

“…It should be noted that p 2 is related to the quantity ζ 1 of Ref. [26], which denotes the number of particles that are neighbors of a given particle for two consecutive time steps; more precisely, p 2 = (ζ 1 − 1)/(M − 1). Figure 14 is a plot of simulation results for δH(2τ ) as a function of λ/a for three different values of the collision angle α.…”

Section: B Self-diffusion Coefficientmentioning

confidence: 99%

Dynamic correlations in stochastic rotation dynamics

2006

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The dynamic structure factor, vorticity and entropy density dynamic correlation functions are measured for Stochastic Rotation Dynamics (SRD), a particle based algorithm for fluctuating fluids. This allows us to obtain unbiased values for the longitudinal transport coefficients such as thermal diffusivity and bulk viscosity. The results are in good agreement with earlier numerical and theoretical results, and it is shown for the first time that the bulk viscosity is indeed zero for this algorithm. In addition, corrections to the self-diffusion coefficient and shear viscosity arising from the breakdown of the molecular chaos approximation at small mean free paths are analyzed. In addition to deriving the form of the leading correlation corrections to these transport coefficients, the probabilities that two and three particles remain collision partners for consecutive time steps are derived analytically in the limit of small mean free path. The results of this paper verify that we have an excellent understanding of the SRD algorithm at the kinetic level and that analytic expressions for the transport coefficients derived elsewhere do indeed provide a very accurate description of the SRD fluid.

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“…The fiber or chain segments will be coupled to this hydrodynamic solvent by also taking part in the rotation procedure. With appropriately chosen simulation parameters, 48 such an approach leads to correct hydrodynamic behavior of polymeric chains, as shown recently by Winkler et al 17 From the point of view of the latter work, this paper is an extension of the hydrodynamic method to also include uncrossability of the chains. This paper is organized as follows.…”

Section: Introductionmentioning

confidence: 91%

“…Important developments in this area are lattice Boltzmann ͑when extensions to allow for thermal fluctuations are included͒, 34-37 dissipative particle dynamics, 38,39 and multiparticle collision dynamics ͑MPCD͒. 17,[40][41][42][43][44][45][46][47][48][49][50][51][52] The latter, in its original implementation, 40 is also known as stochastic rotation dynamics ͑SRD͒. All these mesoscopic simulation techniques account for correlated motion of the solvent which leads to long-range HIs.…”

Section: Introductionmentioning

confidence: 99%

Efficient simulation of noncrossing fibers and chains in a hydrodynamic solvent

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2009

The Journal of Chemical Physics

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Waiting time dependence of T2 of protons in water suspensions of iron-oxide nanoparticles: Measurements and simulations J. Appl. Phys. 110, 073917 (2011) The effects of shape and flexibility on bio-engineered fd-virus suspensions J. Chem. Phys. 135, 144106 (2011) Quantitative measurement of scattering and extinction spectra of nanoparticles by darkfield microscopy Appl. Phys. Lett. 99, 131113 (2011) Implications of the effective one-component analysis of pair correlations in colloidal fluids with polydispersity J. Chem. Phys. 135, 124513 (2011) Single-walled carbon nanotubes and nanocrystalline graphene reduce beam-induced movements in highresolution electron cryo-microscopy of ice-embedded biological samples Appl. Phys. Lett. 99, 133701 (2011) Additional information on J. Chem. Phys. An efficient simulation method is presented for Brownian fiber suspensions, which includes both uncrossability of the fibers and hydrodynamic interactions between the fibers mediated by a mesoscopic solvent. To conserve hydrodynamics, collisions between the fibers are treated such that momentum and energy are conserved locally. The choice of simulation parameters is rationalized on the basis of dimensionless numbers expressing the relative strength of different physical processes. The method is applied to suspensions of semiflexible fibers with a contour length equal to the persistence length, and a mesh size to contour length ratio ranging from 0.055 to 0.32. For such fibers the effects of hydrodynamic interactions are observable, but relatively small. The noncrossing constraint, on the other hand, is very important and leads to hindered displacements of the fibers, with an effective tube diameter in agreement with recent theoretical predictions. The simulation technique opens the way to study the effect of viscous effects and hydrodynamic interactions in microrheology experiments where the response of an actively driven probe bead in a fiber suspension is measured.

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Dynamic regimes of fluids simulated by multiparticle-collision dynamics

Cited by 164 publications

References 42 publications

Hydrodynamic simulations of self-phoretic microswimmers

Hydrodynamic simulations of self-phoretic microswimmers

Dynamic correlations in stochastic rotation dynamics

Efficient simulation of noncrossing fibers and chains in a hydrodynamic solvent

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