Brownian Particles Research Articles

Refined bounds on energy harvesting from anisotropic fluctuations.

We consider overdamped Brownian particles with two degrees of freedom (DoF) that are confined in a time-varying quadratic potential and are in simultaneous contact with heat baths of different temperatures along the respective DoF. The anisotropy in thermal fluctuations can be used to extract work by suitably manipulating the confining potential. The question of what the maximal amount of work that can be extracted is has been raised in recent work, and has been computed under the simplifying assumption that the entropy of the distribution of particles (thermodynamic states) remains constant throughout a thermodynamic cycle. Indeed, it was shown that the maximal amount of work that can be extracted amounts to solving an isoperimetric problem, where the 2-Wasserstein length traversed by thermodynamic states quantifies dissipation that can be traded off against an area integral that quantifies work drawn out of the thermal anisotropy. Here, we remove the simplifying assumption on constancy of entropy. We show that the work drawn can be computed similarly to the case where the entropy is kept constant while the dissipation can be reduced by suitably tilting the thermodynamic cycle in a thermodynamic space with one additional dimension. Optimal cycles can be locally approximated by solutions to an isoperimetric problem in a tilted lower-dimensional subspace.

Energy fluctuations of a Brownian particle freely moving in a liquid

We study the statistical properties of the variation of the kinetic energy of a spherical Brownian particle that freely moves in an incompressible fluid at constant temperature. Based on the underdamped version of the generalized Langevin equation that includes the inertia of both the particle and the displaced fluid, we derive an analytical expression for the probability density function of such a kinetic energy variation during an arbitrary time interval, which exactly amounts to the energy exchanged with the fluid in absence of external forces. We also determine all the moments of this probability distribution, which can be fully expressed in terms of a function that is proportional to the velocity autocorrelation function of the particle. The derived expressions are verified by means of numerical simulations of the stochastic motion of a particle in a viscous liquid with hydrodynamic backflow for representative values of the time-scales of the system. Furthermore, we also investigate the effect of viscoelasticity on the statistics of the kinetic energy variation of the particle, which reveals the existence of three distinct regimes of the energy exchange process depending on the values of the viscoelastic parameters of the fluid.

Rejuvenation and memory effects in active glasses induced by thermal and active cycling

It has recently been shown that thermal active glasses can display physical aging behavior comparable to that of passive glasses, although there are some notable distinctions due to the intrinsic nonequilibrium nature of active matter. The question whether active disordered materials can also exhibit rejuvenation and memory effects, akin to the phenomenology of, e.g., spin glasses, has thus far remained unexplored. Here we address this question by numerical simulations of active glasses composed of active Brownian particles that are subjected to a thermal or active cycling protocol. We find that an active system undergoing thermal cycling indeed shows rejuvenation and memory effects, with the strength of rejuvenation depending on the persistence time. In contrast, however, a passive Brownian system subjected to the same thermal cycle lacks the rejuvenation effect. We attribute this to the enhanced motility of active particles, which enables them to escape from their cages and restart aging at the new temperature, thus rejuvenating the material. Finally, we also demonstrate that both rejuvenation and memory effects can be induced by an activity cycle which quenches the material from an active to passive glass and back, providing a unique means to rejuvenate active matter. Published by the American Physical Society 2024

Matrix numerical method for probability densities of stochastic delay differential equations

Stochastic processes with time delay are invaluable for modeling in science and engineering when finite signal transmission and processing speeds can not be neglected. However, they can seldom be treated with sufficient precision analytically if the corresponding stochastic delay differential equations (SDDEs) are nonlinear. This work presents a numerical algorithm for calculating the probability densities of processes described by nonlinear SDDEs. The algorithm is based on Markovian embedding and solves the problem by basic matrix operations. We validate it for a broad class of parameters using exactly solvable linear SDDEs and a cubic SDDE. Besides, we show how to apply the algorithm to calculate transition rates and first passage times for a Brownian particle diffusing in a time-delayed cusp potential.

Compact Expansion of a Repulsive Suspension.

Short-range repulsion governs the dynamics of matter from atoms to animals. Using theory, simulations, and experiments, we find that an ensemble of repulsive particles spreads compactly with a sharp boundary, in contrast to the diffusive spreading of Brownian particles. Starting from the pair interactions, at high densities, the many-body dynamics follow nonlinear diffusion with a self-similar expansion, growing as t^{1/4}; At longer times, thermal motion dominates with the classic t^{1/2} expansion. A logarithmic growth controlled by nearest-neighbor interactions connects the two self-similar regimes.

Intriguing properties of transport at the microscales: Langevin equation approach

We present a perspective of simple models of nonequilibrium directed transport described in terms of a Langevin equation formalism. We consider a Brownian particle under various circumstances and driven by thermal (equilibrium) and non-thermal (active) fluctuations. Three examples of startling behavior are unveiled: giant transport, multiple current reversal and negative mobility.Graphic abstract

Evolution of some flow-related properties of diffusive aerosols along a tube

This is the third of a series of papers dealing with the behavior of Brownian aerosol particles immersed in a laminar fluid flow. The evolution along the tube of the distributions of particle radial positions (RPD), particle residence time (RTD), and particle mean axial velocity (MAVD) were determined by Monte Carlo (MC) simulation of particles trajectories. The RPD and particle penetration was also determined by numerical solution of the advection-diffusion equation (ADE) with negligible particle axial diffusion. The fairly good agreement shown between the results obtained by these two methods justifies our confidence on the use of the MC technique to determine other particle properties, as MAVD and RTD, for which the corresponding differential equation is yet unknown. Flow-related properties of the aerosol, such as penetration and residence time, are mainly determined by its MAVD. The MAVD is intimately related to the RPD; the latter evolves in such a manner that the surviving particles tend to accumulate nearer the tube axis and farther from the wall. When the fluid local velocity depends on the spatial location, the mean particle axial velocity increases as the aerosol flows downstream the tube, and its value can be considerably larger than the mean fluid velocity, in spite that no external force is acting on the particle. A direct consequence of this counterintuitive fact is that the mean aerosol residence time in the tube can be much smaller, by a factor of ∼0.65, than that of the fluid for even moderate values of the particle diffusion coefficient. This asymptotic value of the aerosol mean residence time can be predicted using the ADE in conjunction with a simple estimation model proposed here. If the fluid velocity is constant within the tube (uniform or plug flow), the mean particle axial velocity is everywhere equal to the fluid velocity, and particles and fluid spend the same time to traverse the tube. The larger the departure of the fluid velocity profile from uniformity, the larger the difference of mean axial velocity and mean residence time between particles and fluid.

Space-resolved dynamic light scattering within a millimeter-sized drop: From Brownian diffusion to the swelling of hydrogel beads.

We present a dynamic light scattering setup to probe, with time and space resolution, the microscopic dynamics of soft matter systems confined within millimeter-sized spherical drops. By using an ad hoc optical layout, we tackle the challenges raised by refraction effects due to the unconventional shape of the samples. We first validate the setup by investigating the dynamics of a suspension of Brownian particles. The dynamics measured at different positions in the drop, and hence different scattering angles, are found to be in excellent agreement with those obtained for the same sample in a conventional light scattering setup. We then demonstrate the setup capabilities by investigating a bead made of a polymer hydrogel undergoing swelling. The gel microscopic dynamics exhibit a space dependence that strongly varies with time elapsed since the beginning of swelling. Initially, the dynamics in the periphery of the bead are much faster than in the core, indicative of nonuniform swelling. As the swelling proceeds, the dynamics slow down and become more spatially homogeneous. By comparing the experimental results to numerical and analytical calculations for the dynamics of a homogeneous, purely elastic sphere undergoing swelling, we establish that the mean square displacement of the gel strands deviates from the affine motion inferred from the macroscopic deformation, evolving from fast diffusivelike dynamics at the onset of swelling to slower, yet supradiffusive, rearrangements at later stages.

Nonequilibrium dynamics and entropy production of a trapped colloidal particle in a complex nonreciprocal medium.

We discuss the two-dimensional motion of a Brownian particle that is confined to a harmonic trap and driven by a shear flow. The surrounding medium induces memory effects modeled by a linear, typically nonreciprocal coupling of the particle coordinates to an auxiliary (hidden) variable. The system's behavior resulting from the microscopic Langevin equationsfor the three variables is analyzed by means of exact moment equationsderived from the Fokker-Planck representation, and numerical Brownian dynamics simulations. Increasing the shear rate beyond a critical value we observe, for suitable coupling scenarios with nonreciprocal elements, a transition from a stationary to a nonstationary state, corresponding to an escape from the trap. We analyze this behavior, analytically and numerically, in terms of the associated moments of the probability distribution, and from the perspective of nonequilibrium thermodynamics. Intriguingly, the entropy production rate remains finite when crossing the stability threshold.

Microscopic theory for nonequilibrium correlation functions in dense active fluids.

One of the key hallmarks of dense active matter in the liquid, supercooled, and solid phases is the so-called equal-time velocity correlations. Crucially, these correlations can emerge spontaneously, i.e., they require no explicit alignment interactions, and therefore represent a generic feature of dense active matter. This indicates that for a meaningful comparison or possible mapping between active and passive liquids one not only needs to understand their structural properties, but also the impact of these velocity correlations. This has already prompted several simulation and theoretical studies, though they are mostly focused on athermal systems and thus overlook the effect of translational diffusion. Here, we present a fully microscopic method to calculate nonequilibrium correlations in two-dimensional systems of thermal active Brownian particles (ABPs). We use the integration through transients formalism together with (active) mode-coupling theory and analytically calculate qualitatively consistent static structure factors and active velocity correlations. We complement our theoretical results with simulations of both thermal and athermal ABPs which exemplify the disruptive role that thermal noise has on velocity correlations.

Memory Corrections to Markovian Langevin Dynamics.

Analysis of non-Markovian systems and memory-induced phenomena poses an everlasting challenge in the realm of physics. As a paradigmatic example, we consider a classical Brownian particle of mass M subjected to an external force and exposed to correlated thermal fluctuations. We show that the recently developed approach to this system, in which its non-Markovian dynamics given by the Generalized Langevin Equation is approximated by its memoryless counterpart but with the effective particle mass M∗<M, can be derived within the Markovian embedding technique. Using this method, we calculate the first- and the second-order memory correction to Markovian dynamics of the Brownian particle for the memory kernel represented as the Prony series. The second one lowers the effective mass of the system further and improves the precision of the approximation. Our work opens the door for the derivation of higher-order memory corrections to Markovian Langevin dynamics.

Kinetic Theory of Motility Induced Phase Separation for Active Brownian Particles.

When two active Brownian particles collide, they slide along each other until they can continue their free motion. For persistence lengths much larger than the particle diameter, the directors do not change, but the collision can be modeled as producing a net displacement on the particles compared to their free motion in the absence of the encounter. With these elements, a Boltzmann-Enskog-like kinetic theory is built. A linear stability analysis of the homogeneous state predicts a density instability resulting from the effective velocity reduction of tagged particles predicted by the theory.

Entropic stochastic resonance of finite-size particles in confined Brownian transport.

We demonstrate the existence of entropic stochastic resonance (ESR) of passive Brownian particles with finite size in a double- or triple-circular confined cavity, and compare the similarities and differences of ESR in the double-circular cavity and triple-circular cavity. When the diffusion of Brownian particles is constrained to the double- or triple-circular cavity, the presence of irregular boundaries leads to entropic barriers. The interplay between the entropic barriers, a periodic input signal, the gravity of particles, and intrinsic thermal noise may give rise to a peak in the spectral amplification factor and therefore to the appearance of the ESR phenomenon. It is shown that ESR can occur in both a double-circular cavity and a triple-circular cavity, and by adjusting some parameters of the system, the response of the system can be optimized. The differences are that the spectral amplification factor in a triple-circular cavity is significantly larger than that in a double-circular cavity, and compared with the ESR in a double-circular cavity, the ESR effect in a triple-circular cavity occurs within a wider range of external force parameters. In addition, the strength of ESR also depends on the particle radius, and smaller particles can induce more obvious ESR, indicating that the size effect cannot be safely neglected. The ESR phenomenon usually occurs in small-scale systems where confinement and noise play an important role. Therefore, the mechanism that is found could be used to manipulate and control nanodevices and biomolecules.

Translocation of two-dimensional active polymers through nanopores using Langevin dynamics simulations.

The translocation of polymers through nanopores is a complex process influenced by various factors. In this study, the translocation behavior of a two-dimensional active polymer chain, comprised of a head active Brownian particle (ABP) and a tail passive polymer chain, through a nanopore is studied using Langevin dynamics simulations. Results show that the effect of the self-propulsion force of the ABP on the translocation differs significantly from the driving force inside the pore for traditional polymer translocations. Specifically, the translocation time τ initially increases with increasing the magnitude fs of the self-propulsion force and then decreases with a further increase in fs. A small fs lowers the potential barrier for the translocation and thus promotes slow translocations, whereas a large fs directly pulls the polymer chain through the nanopore following the scaling relation τ ∝ fs-1. Moreover, two asymptotic scaling relations between τ and polymer length N, τ ∝ Nα, are found, with the exponent α of about 2.5 for small fs or long N and the exponent α of about 1.4 for short active polymers with large fs. We discover that the slow rotation of the ABP accelerates the translocation process.

Dividing active and passive particles in nonuniform nutrient environments

To explore the coupling between a growing population of microorganisms such as E. coli and a nonuniform nutrient distribution, we formulate a minimalistic model. It consists of active Brownian particles that divide and grow at a nutrient-dependent rate following the Monod equation. The nutrient concentration obeys a diffusion equation with a consumption term and a point source. In this setting the heterogeneity in the nutrient distribution can be tuned by the diffusion coefficient. In particle-based simulations, we demonstrate that passive and weakly active particles form proliferation-induced clusters when the nutrient is localized, without relying on further mechanisms such as chemotaxis or adhesion. In contrast, strongly active particles disperse in the whole system during their lifetime and no clustering is present. The steady population is unaffected by activity or nonuniform nutrient distribution and only determined by the ratio of nutrient influx and bacterial death. However, the transient dynamics strongly depends on the nutrient distribution and activity. Passive particles in almost uniform nutrient profiles display a strong population overshoot, with clusters forming all over the system. In contrast, when slowly diffusing nutrients remain centred around the source, the bacterial population quickly approaches the steady state due to its strong coupling to the nutrient. Conversely, the population overshoot of highly active particles becomes stronger when the nutrient localisation increases. We successfully map the transient population dynamics onto a uniform model where the effect of the nonuniform nutrient and bacterial distributions are rationalized by two effective areas.

Energetics of the dissipative quantum oscillator

In this paper, we discuss some aspects of the energetics of a quantum Brownian particle placed in a harmonic trap, also known as the dissipative quantum oscillator. Based on the fluctuation–dissipation theorem, we analyze two distinct notions of thermally-averaged energy that can be ascribed to the oscillator. These energy functions, respectively dubbed hereafter as the mean energy and the internal energy, are found to be inequivalent for arbitrary system–bath coupling strength when the dissipation kernel has a non-zero memory timescale, as in the case of a Drude bath. Remarkably, both the energy functions satisfy the quantum counterpart of energy equipartition theorem, but with different probability distributions on the frequency domain of the heat bath. Moreover, the Gibbs approach to thermodynamics provides us with yet another thermally-averaged energy function. In the weak-coupling limit, all the above-mentioned energy expressions reduce to ϵ=ħω02coth(ħω02kBT), which is the familiar result. We generalize our analysis to the case of the three-dimensional dissipative charged oscillator placed in a spatially-uniform magnetic field.

Occupation time of a system of Brownian particles on the line with steplike initial condition.

We consider a system of noninteracting Brownian particles on the line with steplike initial condition and study the statistics of the occupation time on the positive half-line. We demonstrate that even at large times, the behavior of the occupation time exhibits long-lasting memory effects of the initialization. Specifically, we calculate the mean and the variance of the occupation time, demonstrating that the memory effects in the variance are determined by a generalized compressibility (or Fano factor), associated with the initial condition. In the particular case of the uncorrelated uniform initial condition we conduct a detailed study of two probability distributions of the occupation time: annealed (averaged over all possible initial configurations) and quenched (for a typical configuration). We show that at large times both the annealed and the quenched distributions admit large deviation form and we compute analytically the associated rate functions. We verify our analytical predictions via numerical simulations using importance sampling Monte Carlo strategy.

Mass-Based Separation of Active Brownian Particles in an Asymmetric Channel

Inertial effects should be considered for micro and nanoswimmers moving in a low-density medium confined by irregular structures that create entropic barriers, where viscous effects are no longer paramount. Here, we present a separation mechanism of self-propelled particles in a two-dimensional asymmetric channel, which leads to the drift of particles of different masses in opposite directions. In particular, this mechanism is based on the combined action of the spatial asymmetry of the channel structure, the temporal asymmetry inherent in particles dynamics and an external static force. This work is relevant for potential applications that can be found in the development of lab-on-a-chip devices and artificial channels for separating particles of different masses.

Emergent gauge symmetry in active Brownian matter.

We investigate a two-dimensional system of interacting active Brownian particles. Using the Martin-Siggia-Rose-Janssen-de Dominicis formalism, we built up the generating functional for correlation functions. We study in detail the hydrodynamic regime with a constant density stationary state. Our findings reveal that, within a small density fluctuations regime, an emergent U(1) gauge symmetry arises, originated from the conservation of fluid vorticity. Consequently, the interaction between the orientational order parameter and density fluctuations can be cast into a gauge theory, where the concept of "electric charge density" aligns with the local vorticity of the original fluid. We study in detail the case of a microscopic local two-body interaction. We show that, upon integrating out the gauge fields, the stationary states of the rotational degrees of freedom satisfy a nonlocal Frank free energy for a nematic fluid. We give explicit expressions for the splay and bend elastic constants as a function of the Péclet number (Pe) and the diffusion interaction constant (k_{d}).

Simulating Brownian motion in thermally fluctuating viscoelastic fluids by using the smoothed profile method

To investigate the Brownian motion of individual particles suspended in viscoelastic fluids, the stochastic smoothed profile method (SPm) for direct numerical simulation is developed by extending deterministic SPm for suspensions in viscoelastic media. To simulate viscoelastic flow driven by thermal fluctuations in the suspending medium, the random stress in the fluid momentum equation as well as the random driving force for the conformation tensor in the Oldroyd-B model are incorporated according to the fluctuating hydrodynamics and fluctuating viscoelasticity formalisms. The thermal equilibrium and dynamical properties calculated by using numerical simulations successfully reproduce the analytic predictions, validating the direct simulation for the coupled fluctuating Navier–Stokes and Oldroyd-B equations and for the coupling between the stochastic viscoelastic medium and individual particles. As an application of the stochastic SPm, we investigate finite system-size effects under periodic boundary conditions (PBCs) on the passive microrheological relationship between the mean-square displacement (MSD) of a Brownian particle and the medium's dynamic modulus. Comparing the modulus that was microrheologically calculated from the MSD with the input modulus reveals that the effect of periodic image cell interaction appears not only in the long-time diffusive regime but also in the short-time region. A frequency-dependent finite system-size correction is implemented by phenomenologically extending the long-time diffusive regime correction, allowing passive microrheology analysis under PBCs. This result can be directly applied to other mesoscale numerical simulations including coarse-grained molecular dynamics and dissipative particle dynamics simulations.