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Register a new userShape induced segregation and anomalous particle transport under spherical confinement
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Colloid or nanoparticle mobility under confinement is of central importance to a wide range of physical and biological processes. Here, we introduce a minimal model of particles in a hydrodynamic continuum to examine how particle shape and concentration affect the transport of particles in spherical confinement. Specifically, an immersed boundary-General geometry Ewald-like approach is adopted to simulate the dynamics of spheres and cylinders under the influence of short-and long-range fluctuating hydrodynamic interactions with appropriate non-slip conditions at the confining walls. An efficient $it{O(N)}$ parallel finite element algorithm is used, thereby allowing simulations at high concentrations, while a Chebyshev polynomial approximation is implemented in order to satisfy the fluctuation-dissipation theorem. A concentration-dependent anomalous diffusion is observed for suspended particles. It is found that introducing cylinders in a background of spheres, i.e. particles with a simple degree of anisotropy, has a pronounced influence on the structure and dynamics of the particles. First, increasing the fraction of cylinders induces a particle segregation effect, where spheres are pushed towards the wall and cylinders remain near the center of the cavity. This segregation leads to lower mobility for the spheres relative to that encountered in a system of pure spheres at the same volume fraction. Second, the diffusive-to-anomalous transition and the degree of anomaly--quantified by the power-law exponent in the mean square displacement vs. time relation-both increase as the fraction of cylinders becomes larger. These findings are of relevance for studies of diffusion in the cytoplasm, where proteins exhibit a distribution of size and shapes that could lead to some of the effects identified in the simulations reported here.
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Lipid bilayer membranes have a native (albeit small) permeability for water molecules. Under an external load, provided that the bilayer structure stays intact and does not suffer from poration or rupture, a lipid membrane deforms and its water influx/efflux is often assumed negligible in the absence of osmolarity. In this work we use boundary integral simulations to investigate the effects of water permeability on the vesicle hydrodynamics due to a mechanical load, such as the viscous stress from an external flow deforming a vesicle membrane in free space or pushing it through a confinement. Incorporating the membrane permeability into the framework of Helfrich free energy for an inextensible, elastic membrane as a model for a semipermeable vesicle, we illustrate that, in the absence of an osmotic stress gradient, the semipermeable vesicle is affected by water influx/efflux over a sufficiently long time or under a strong confinement. Our simulations quantify the conditions for water permeation to be negligible in terms of the time scales, flow strength, and confinement. These results shed light on how microfluidic confinement can be utilized to estimate membrane permeability.
Staggered and linear multi-particle trains constitute characteristic structures in inertial microfluidics. Using lattice-Boltzmann simulations, we investigate their properties and stability, when flowing through microfluidic channels. We confirm the stability of cross-streamline pairs by showing how they contract or expand to their equilibrium axial distance. In contrast, same-streamline pairs quickly expand to a characteristic separation but even at long times slowly drift apart. We reproduce the distribution of particle distances with its characteristic peak as measured in experiments. Staggered multi-particle trains initialized with an axial particle spacing larger than the equilibrium distance contract non-uniformly due to collective drag reduction. Linear particle trains, similar to pairs, rapidly expand towards a value about twice the equilibrium distance of staggered trains and then very slowly drift apart non-uniformly. Again, we reproduce the statistics of particle distances and the characteristic peak observed in experiments. Finally, we thoroughly analyze the damped displacement pulse traveling as a microfluidic phonon through a staggered train and show how a defect strongly damps its propagation.
We study the motion of a spherical particle driven by a constant volume force in a confined channel with a fixed square cross-section. The channel is filled with a mixture of two liquids under the effect of thermal fluctuations. We use the lattice Boltzmann method to simulate a fluctuating multicomponent fluid in the mixed-phase, and particle-fluid interactions are tuned to reproduce different wetting properties at the particle surface. The numerical set-up is first validated in the absence of thermal fluctuations; to this aim, we quantitatively compute the drift velocity at changing the particle radius and compare it with previous experimental and numerical data. In the presence of thermal fluctuations, we study the fluctuations in the particles velocity at changing thermal energy, applied force, particle size, and particle wettability. The importance of fluctuations with respect to the mean drift velocity is quantitatively assessed, especially in comparison to unconfined situations. Results show that confinement strongly enhances the importance of velocity fluctuations, which can be one order of magnitude larger than what expected in unconfined domains. The observed findings underscore the versatility of the lattice Boltzmann simulations in concrete applications involving the motion of colloidal particles in a highly confined environment in the presence of thermal fluctuations.
The structure and dynamics of confined suspensions of particles of arbitrary shape is of interest in multiple disciplines, from biology to engineering. Theoretical studies are often limited by the complexity of long-range particle-particle and particle-wall forces, including many-body fluctuating hydrodynamic interactions. Here, we report a computational study on the diffusion of spherical and cylindrical particles confined in a spherical cavity. We rely on an Immersed-Boundary General geometry Ewald-like method to capture lubrication and long-range hydrodynamics, and include appropriate non-slip conditions at the confining walls. A Chebyshev polynomial approximation is used to satisfy the fluctuation-dissipation theorem for the Brownian suspension. We explore how lubrication, long-range hydrodynamics, particle volume fraction and shape affect the equilibrium structure and the diffusion of the particles. It is found that once the particle volume fraction is greater than $10%$, the particles start to form layered aggregates that greatly influence particle dynamics. Hydrodynamic interactions strongly influence the particle diffusion by inducing spatially dependent short-time diffusion coefficients, stronger wall effects on the particle diffusion towards the walls, and a sub-diffusive regime --caused by crowding-- in the long-time particle mobility. The level of asymmetry of the cylindrical particles considered here is enough to induce an orientational order in the layered structure, decreasing the diffusion rate and facilitating a transition to the crowded mobility regime at low particle concentrations. Our results offer fundamental insights into the diffusion and distribution of globular and fibrillar proteins inside cells.
We consider the active Brownian particle (ABP) model for a two-dimensional microswimmer with fixed speed, whose direction of swimming changes according to a Brownian process. The probability density for the swimmer evolves according to a Fokker-Planck equation defined on the configuration space, whose structure depends on the swimmers shape, center of rotation and domain of swimming. We enforce zero probability flux at the boundaries of configuration space. We derive a reduced equation for a swimmer in an infinite channel, in the limit of small rotational diffusivity, and find that the invariant density depends strongly on the swimmers precise shape and center of rotation. We also give a formula for the mean reversal time: the expected time taken for a swimmer to completely reverse direction in the channel. Using homogenization theory, we find an expression for the effective longitudinal diffusivity of a swimmer in the channel, and show that it is bounded by the mean reversal time.
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