Steffen Martens

Entropic particle transport: Higher-order corrections to the Fick-Jacobs diffusion equation

Transport of point-size Brownian particles under the influence of a constant and uniform force field through a planar three-dimensional channel with smoothly varying, axis-symmetric periodic side walls is investigated. Here we employ an asymptotic analysis in the ratio between the difference of the widest and the most narrow constriction divided through the period length of the channel geometry. We demonstrate that the leading-order term is equivalent to the Fick-Jacobs approximation. By use of the higher-order corrections to the probability density we show that in the diffusion-dominated regime the average transport velocity is obtained as the product of the zeroth-order Fick-Jacobs result and the expectation value of the spatially dependent diffusion coefficient D(x), which substitutes the constant diffusion coefficient in the common Fick-Jacobs equation. The analytic findings are corroborated with the precise numerical results of a finite element calculation of the Smoluchowski diffusive particle dynamics occurring in a reflection symmetric sinusoidal-shaped channel.

Hydrodynamically Enforced Entropic Trapping of Brownian Particles

We study the transport of Brownian particles through a corrugated channel caused by a force field containing curl-free (scalar potential) and divergence-free (vector potential) parts. We develop a generalized Fick-Jacobs approach leading to an effective one-dimensional description involving the potential of mean force. As an application, the interplay of a pressure-driven flow and an oppositely oriented constant bias is considered. We show that for certain parameters, the particle diffusion is significantly suppressed via the property of hydrodynamically enforced entropic particle trapping.

Driven Brownian transport through arrays of symmetric obstacles.

We numerically investigate the transport of a suspended overdamped Brownian particle which is driven through a two-dimensional rectangular array of circular obstacles with finite radius. Two limiting cases are considered in detail, namely, when the constant drive is parallel to the principal or the diagonal array axes. This corresponds to studying the Brownian transport in periodic channels with reflecting walls of different topologies. The mobility and diffusivity of the transported particles in such channels are determined as functions of the drive and the array geometric parameters. Prominent transport features, like negative differential mobilities, excess diffusion peaks, and unconventional asymptotic behaviors, are explained in terms of two distinct lengths, the size of single obstacles (trapping length), and the lattice constant of the array (local correlation length). Local correlation effects are further analyzed by continuously rotating the drive between the two limiting orientations.

Biased Brownian motion in extremely corrugated tubes

Biased Brownian motion of point-size particles in a three-dimensional tube with varying cross-section is investigated. In the fashion of our recent work, Martens et al. [Phys. Rev. E 83, 051135 (2011)] we employ an asymptotic analysis to the stationary probability density in a geometric parameter of the tube geometry. We demonstrate that the leading order term is equivalent to the Fick-Jacobs approximation. Expression for the higher order corrections to the probability density is derived. Using this expansion orders, we obtain that in the diffusion dominated regime the average particle current equals the zeroth order Fick-Jacobs result corrected by a factor including the corrugation of the tube geometry. In particular, we demonstrate that this estimate is more accurate for extremely corrugated geometries compared with the common applied method using a spatially-dependent diffusion coefficient D(x, f) which substitutes the constant diffusion coefficient in the common Fick-Jacobs equation. The analytic findings are corroborated with the finite element calculation of a sinusoidal-shaped tube.

How entropy and hydrodynamics cooperate in rectifying particle transport

Using the analytical Fick-Jacobs approximation formalism and extensive Brownian dynamics simulations we study particle transport through two-dimensional periodic channels with triangularly shaped walls. Directed motion is caused by the interplay of constant bias acting along the channel axis and a pressure-driven flow. In particular, we analyze the particle mobility and the effective diffusion coefficient. The mechanisms of entropic rectification is revealed in channels with a broken spatial reflection symmetry in presence of hydrodynamically enforced entropic trapping. Due to the combined action of the forcing and the pressure-driven flow field, efficient rectification with a drastically reduced diffusivity is achieved.

Communication: Impact of inertia on biased Brownian transport in confined geometries

We consider the impact of inertia on biased Brownian motion of point-size particles in a two-dimensional channel with sinusoidally varying width. If the time scales of the problem separate, the adiabatic elimination of the transverse degrees of freedom leads to an effective description for the motion along the channel given by the potential of mean force. The possibility of such description is intimately connected with equipartition. Numerical simulations show that in the presence of external bias the equipartition may break down leading to non-monotonic dependence of mobility on external force and several other interesting effects.

Shaping wave patterns in reaction-diffusion systems.

We present a method to control the two-dimensional shape of traveling wave solutions to reaction-diffusion systems, such as, interfaces and excitation pulses. Control signals that realize a pregiven wave shape are determined analytically from nonlinear evolution equation for isoconcentration lines as the perturbed nonlinear phase diffusion equation or the perturbed linear eikonal equation. While the control enforces a desired wave shape perpendicular to the local propagation direction, the wave profile along the propagation direction itself remains almost unaffected. Provided that the one-dimensional wave profile of all state variables and its propagation velocity can be measured experimentally, and the diffusion coefficients of the reacting species are given, the new approach can be applied even if the underlying nonlinear reaction kinetics are unknown.

Front propagation in channels with spatially modulated cross section.

Propagation of traveling fronts in three-dimensional reaction-diffusion media with spatially modulated cross-section is studied using the Schlögl model as a representative example. Applying appropriate perturbation techniques leads first to a reduction of dimensionality in which the spatially dependent Neumann boundary condition translate into a boundary-induced advection term and, secondly, to an equation of motion for the traveling wave position in weakly corrugated confinements. Comparisons with numerical simulations demonstrate that our analytical results properly predicts the nonlinear dependence of the propagation velocity on ratio of the spatial period of the confinement to the intrinsic width of the front; including the peculiarity of propagation failure. Based on the eikonal equation, we obtain an analytical estimate for the finite interval of propagation failure. Lastly, we demonstrate that the front velocity is determined by the suppressed diffusivity of the reactants if the intrinsic width of the front is much larger than the spatial variation of the medium.

Analytical, Optimal, and Sparse Optimal Control of Traveling Wave Solutions to Reaction-Diffusion Systems

This work deals with the position control of selected patterns in reaction-diffusion systems. Exemplarily, the Schlogl and FitzHugh-Nagumo model are discussed using three different approaches. First, an analytical solution is proposed. Second, the standard optimal control procedure is applied. The third approach extends standard optimal control to so-called sparse optimal control that results in very localized control signals and allows the analysis of second order optimality conditions.

Giant enhancement of hydrodynamically enforced entropic trapping in thin channels

Using our generalized Fick-Jacobs approach [1, 2] and extensive Brownian dynamics simulations, we study particle transport through three-dimensional periodic channels of different height. Directed motion is caused by the interplay of constant bias acting along the channel axis and a pressure-driven flow. The tremendous change of the flow profile shape in channel direction with the channel height is reflected in a crucial dependence of the mean particle velocity and the effective diffusion coefficient on the channel height. In particular, we observe a giant suppression of the effective diffusivity in thin channels; four orders of magnitude compared to the bulk value.