arXiv subjects

Suvendu Mandal

Publications and source records attributed to Suvendu Mandal.

At least 19 recordsLinked to original sources

arXiv2026

When velocity autocorrelations mirror force autocorrelations: Exact noise-cancellation in interacting Brownian systems

Resolving the mean-squared displacement (MSD) and velocity autocorrelation function (VACF) of interacting Brownian particles remains a central challenge in simulations of soft-matter systems, especially at low densities where particle-particle interactions are sparse and signals are dominated by thermal noise. A recently proposed noise-cancellation (NC) algorithm [Mandal et al. Phys. Rev. Lett. 123, 168001 (2019)] addresses this by decomposing particle trajectories into two components: free Brownian motion and interaction-induced displacements. The NC approximation enhances signal clarity by neglecting cross-correlations between the total particle displacements and the extracted interaction-induced contributions of the trajectories - an assumption that has so far lacked rigorous theoretical justification. In this work, we establish an exact theoretical relation between the VACF, the force autocorrelation function (FACF) characterizing the interaction-induced contributions, and these cross-correlations, which is valid for Brownian systems. We show that in thermal equilibrium, the cross-correlations vanish for Brownian systems because the VACF is strictly proportional to the negative FACF, which establishes the NC algorithm as an exact method. In contrast, for Brownian nonequilibrium systems, the cross-correlations remain finite, providing a direct fingerprint of nonequilibrium physics in such systems and a criterion to distinguish equilibrium from nonequilibrium states. Here, suitable corrections must be applied for the NC method to remain accurate. Our results expand the scope of the NC algorithm to a broad range of soft-matter systems in and out of equilibrium, where it has the potential to strongly enhance the resolution of VACF data obtained through simulations in future studies.

cond-mat.soft↗

arXiv2026

Learning microstructure in active matter

Understanding microstructure in terms of closed-form expressions is an open challenge in nonequilibrium statistical physics. We propose a simple and generic method that combines particle-resolved simulations, deep neural networks and symbolic regression to predict the pair-correlation function of passive and active particles. Our analytical closed-form results closely agree with Brownian dynamics simulations, even at relatively large packing fractions and for strong activity. The proposed method is broadly applicable, computationally efficient, and can be used to enhance the predictive power of nonequilibrium continuum theories and for designing pattern formation.

cond-mat.soft↗

arXiv2025

Vorticity-induced surfing and trapping in porous media

Microorganisms often encounter strong confinement and complex hydrodynamic flows while navigating their habitats. Combining finite-element methods and stochastic simulations, we study the interplay of active transport and heterogeneous flows in dense porous channels. We find that swimming always slows down the traversal of agents across the channel, giving rise to robust power-law tails of their exit-time distributions. These exit-time distributions collapse onto a universal master curve with a scaling exponent of $\approx 3/2$ across a wide range of packing fractions and motility parameters, which can be rationalized by a scaling relation. We further identify a new motility pattern where agents alternate between surfing along fast streams and extended trapping phases, the latter determining the power-law exponent. Unexpectedly, trapping occurs in the flow backbone itself -- not only at obstacle boundaries -- due to vorticity-induced reorientation in the highly-heterogeneous fluid environment. These findings provide a fundamentally new active transport mechanism with direct implications for biofilm clogging and the design of novel microrobots capable of operating in heterogeneous media.

cond-mat.soft↗

arXiv2025

Jetting with gels: Soft microgel networks stabilize and extend nozzle-free water jets

The stability of high-speed liquid jets is crucial for applications ranging from precision printing to needle-free drug delivery, yet it is fundamentally limited by capillary-driven breakup. A common strategy to stabilize jets is to use surfactants to lower surface tension. However, in nozzle-free jetting driven by surface acoustic waves (SAWs), extreme deformation rates cause conventional surfactants to desorb, calling for alternative strategies to stabilize jets. In particular, we find that tuning the nanoscale softness of PNIPAM microgels provides a robust, biocompatible strategy to overcome this limitation. Soft, low-cross-linker-density microgels form elastic interfacial networks at the air-water interface that suppress surface tension recovery, delay Rayleigh-Plateau instabilities, and extend SAW-driven jet lengths by up to 44%. In contrast, stiffer microgels lose network cohesion under strain, leading to rapid jet breakup. To gain molecular-level insights, we perform dissipative particle dynamics simulations, which reveal that polymer bridges in soft microgels remain entangled during elongation, maintaining a reduced effective surface tension. Finally, a simple scaling analysis, balancing the SAW-driven kinetic energy imparted to the droplet against the surface energy required to form a jet, quantitatively predicts the observed length enhancement. This surfactant-free, biocompatible approach lays the foundation for long-lived jets, enabling precision needle-free drug delivery, high-speed printing, and other high-strain interfacial flow applications.

cond-mat.soft↗

arXiv2024

Flow Through Porous Media at the Percolation Transition

We study low-Reynolds-number fluid flow through a two-dimensional porous medium modeled as a Lorentz gas. Using extensive finite element simulations we fully resolve the flow fields for packing fractions approaching the percolation threshold. Near the percolation transition, we find a power-law scaling of the flow rate versus the pressure drop with an exponent of $\approx 5/2$, which has been predicted earlier by mapping the macroscopic flow to a discrete flow network [Phys. Rev. Lett. 54, 1985]. Importantly, we observe a rounding of the scaling behavior at small system sizes, which can be rationalized via a finite-size scaling ansatz. Finally, we show that the distribution of the kinetic energy exhibits a power-law scaling over several decades at small energies, originating from collections of self-similar, viscous eddies in the dead-end-channels. Our results lay the foundation for unraveling critical behavior of complex fluids omnipresent in biological and geophysical systems.

physics.flu-dyn↗

arXiv2024

AMEP: The Active Matter Evaluation Package for Python

The Active Matter Evaluation Package (AMEP) is a Python library for analyzing simulation data of particle-based and continuum simulations. It provides a powerful and simple interface for handling large data sets and for calculating and visualizing a broad variety of observables that are relevant to active matter systems. Examples range from the mean-square displacement and the structure factor to cluster-size distributions, binder cumulants, and growth exponents. AMEP is written in pure Python and is based on powerful libraries such as NumPy, SciPy, Matplotlib, and scikit-image. Computationally expensive methods are parallelized and optimized to run efficiently on workstations, laptops, and high-performance computing architectures, and an HDF5-based data format is used in the backend to store and handle simulation data as well as analysis results. AMEP provides the first comprehensive framework for analyzing simulation results of both particle-based and continuum simulations (as well as experimental data) of active matter systems. In particular, AMEP also allows it to analyze simulations that combine particle-based and continuum techniques such as used to study the motion of bacteria in chemical fields or for modeling particle motion in a flow field. AMEP is available at https://amepproject.de and can be installed via conda and pip.

cond-mat.soft↗

arXiv2023

Giant Activity-Induced Stress Plateau in Entangled Polymer Solutions

We study the viscoelastic properties of highly entangled, flexible, self-propelled polymers using Brownian dynamics simulations. Our results show that the active motion of the polymer increases the height of the stress plateau by orders of magnitude due to the emergence of grip forces at entanglement points. Identifying the activity-induced energy of a single polymer and the ratio of polymer length to self-propulsion velocity as relevant energy and time scales, we find the stress autocorrelation functions collapse across Péclet numbers. We predict that the long-time viscosity scales with polymer length squared $\sim L^2$, in contrast to equilibrium counterparts $\sim L^3$. These insights offer prospects for designing new materials with activity-responsive mechanical properties.

cond-mat.soft↗

arXiv2022

Crowding-Enhanced Diffusion: An Exact Theory for Highly Entangled Self-Propelled Stiff Filaments

We study a strongly interacting crowded system of self-propelled stiff filaments by event-driven Brownian dynamics simulations and an analytical theory to elucidate the intricate interplay of crowding and self-propulsion. We find a remarkable increase of the effective diffusivity upon increasing the filament number density by more than one order of magnitude. This counter-intuitive 'crowded is faster' behavior can be rationalized by extending the concept of a confining tube pioneered by Doi and Edwards for highly entangled crowded, passive to active systems. We predict a scaling theory for the effective diffusivity as a function of the Péclet number and the filament number density. Subsequently, we show that an exact expression derived for a single self-propelled filament with motility parameters as input can predict the non-trivial spatiotemporal dynamics over the entire range of length and time scales. In particular, our theory captures short-time diffusion, directed swimming motion at intermediate times, and the transition to complete orientational relaxation at long times.

cond-mat.soft↗

arXiv2022

Active Refrigerators Powered by Inertia

We present the operational principle for a refrigerator which uses inertial effects in active Brownian particles to locally reduce their (kinetic) temperature by two orders of magnitude below the environmental temperature. This principle exploits the peculiar but so-far unknown shape of the phase diagram of inertial active Brownian particles to initiate motility-induced phase separation in the targeted cooling regime only. Remarkably, active refrigerators operate without requiring isolating walls opening the route towards using them to systematically absorb and trap, e.g., toxic substances from the environment.

cond-mat.soft↗

arXiv2021

Nonergodicity parameters of confined hard-sphere glasses

Within a recently developed mode-coupling theory for fluids confined to a slit we elaborate numerical results for the long-time limits of suitably generalized intermediate scattering functions. The theory requires as input the density profile perpendicular to the plates, which we obtain from density functional theory within the fundamental-measure framework, as well as symmetry-adapted static structure factors which can be calculated relying on the inhomogeneous Percus-Yevick closure. Our calculations for the nonergodicity parameters for both the collective as well as for the self motion are in qualitative agreement with our extensive event-driven molecular dynamics simulations for the intermediate scattering functions for slightly polydisperse hard-sphere systems at high packing fraction. We show that the variation of the nonergodicity parameters as a function of the wavenumber correlates with the in-plane static structure factors, while subtle effects become apparent in the structure factors and relaxation times of higher mode-indices. A criterion to predict the multiple reentrant from the variation of the in-plane static structure is presented.

cond-mat.soft↗

arXiv2021

Time-dependent active microrheology in dilute colloidal suspensions

In a microrheological set-up a single probe particle immersed in a complex fluid is exposed to a strong external force driving the system out of equilibrium. Here, we elaborate analytically the time-dependent response of a probe particle in a dilute suspension of Brownian particles to a large step-force, exact in first order of the density of the bath particles. The time-dependent drift velocity approaches its stationary state value exponentially fast for arbitrarily small driving in striking contrast to the power-law prediction of linear response encoded in the long-time tails of the velocity autocorrelation function. We show that the stationary-state behavior depends nonanalytically on the driving force and connect this behavior to the persistent correlations in the equilibrium state. We argue that this relation holds generically. Furthermore, we elaborate that the fluctuations in the direction of the force display transient superdiffusive behavior.

cond-mat.soft↗

arXiv2021

Mode-Coupling Theory for Tagged-Particle Motion of Active Brownian Particles

We derive a mode-coupling theory (MCT) to describe the dynamics of tracer particles in dense systems of active Brownian particles (ABPs) in two spatial dimensions. The ABP undergo translational and rotational Brownian dynamics, and are equipped with a fixed self-propulsion speed along their orientational vector that describes their active motility. The resulting equations of motion for the tagged-particle density correlation functions describe the various cases of tracer dynamics close to the glass transition: that of a passive colloidal particle in a suspension of ABP, that of a single active particle in a glass-forming passive host suspensions, and that of active tracers in a bath of active particles. Numerical results are presented for these cases assuming hard-sphere interactions among the particles. The qualitative and quantitative accuracy of the theory is tested against event-driven Brownian dynamics (ED-BD) simulations of active and passive hard disks. Simulation and theory are found in quantitative agreement, provided one adjusts the overall density (as known from the passive description of glassy dynamics), and allows for a rescaling of self-propulsion velocities in the active host system. These adjustments account for the fact that ABP-MCT generally overestimates the tendency for kinetic arrest. We also confirm in the simulations a peculiar feature of the transient and stationary dynamical density correlation functions regarding their lack of symmetry under time reversal, demonstrating the non-equilibrium nature of the system and how it manifests itself in the theory.

cond-mat.soft↗

arXiv2021

A Geometric Criterion for the Optimal Spreading of Active Polymers in Porous Media

We perform Brownian dynamics simulations of active stiff polymers undergoing run-reverse dynamics, and so mimic bacterial swimming, in porous media. In accord with recent experiments of \emph{Escherichia coli}, the polymer dynamics are characterized by trapping phases interrupted by directed hopping motion through the pores. We find that the effective translational diffusivities of run-reverse agents can be enhanced up to two orders in magnitude, compared to their non-reversing counterparts, and exhibit a non-monotonic behavior as a function of the reversal rate, which we rationalize using a coarse-grained model. Furthermore, we discover a geometric criterion for the optimal spreading, which emerges when their run lengths are comparable to the longest straight path available in the porous medium. More significantly, our criterion unifies results for porous media with disparate pore sizes and shapes and thus provides a fundamental principle for optimal transport of microorganisms and cargo-carriers in densely-packed biological and environmental settings.

cond-mat.soft↗

arXiv2020

Persistent anti-correlations in Brownian dynamics simulations of dense colloidal suspensions revealed by noise suppression

Transport properties of a hard-sphere colloidal fluid are investigated by Brownian dynamics simulations. We implement a novel algorithm for the time-dependent velocity-autocorrelation function (VACF) essentially eliminating the noise of the bare random motion. The measured VACF reveals persistent anti-correlations manifested by a negative algebraic power-law tail $t^{-5/2}$ at all densities. At small packing fractions, the simulations fully agree with the analytic low-density prediction, yet the amplitude of the tail becomes dramatically suppressed as the packing fraction is increased. The mode-coupling theory of the glass transition provides a qualitative explanation for the strong variation in terms of the static compressibility as well as the slowing down of the structural relaxation.

cond-mat.soft↗

arXiv2019

Motility-induced temperature difference in coexisting phases

In nature, objects which are in thermal contact with each other, usually approach the same temperature, unless a heat source (or sink) cherishes a persistent flow of heat. Accordingly, in a well-isolated apartment flat, most items are at a similar temperature. This is a general consequence of equilibrium thermodynamics, requiring coexisting phases to have identical temperatures. Opposing this generic situation, here we identify a system showing different temperatures in coexisting phases, which are separated from each other by a sharp and persistent temperature gradient. Thermodynamically, such a "hot" and a "cold" phase are allowed to coexist, as the system we consider comprises "active" particles which self-propel relative to their environment and are thus intrinsically out-of-equilibrium. Although these microparticles are well known to spontaneously phase-separate into a liquid- and a gas-like state, different kinetic temperatures in coexisting phases occur if and only if inertia is introduced, which is neglected in standard models describing active particles. Our results, therefore, exemplify a novel route to use active particles to create a self-sustained temperature gradient across coexisting phases, a phenomenon, which is fundamentally beyond equilibrium physics.

cond-mat.soft↗

arXiv2017

How Glassy Relaxation Slows Down by Increasing Mobility

We investigate how structural relaxation in mixtures with strong dynamical asymmetry is affected by the microscopic dynamics. Brownian and Newtonian dynamics simulations of dense mixtures of fast and slow hard spheres reveal a striking trend reversal. Below a critical density, increasing the mobility of the fast particles fluidizes the system, yet, above that critical density, the same increase in mobility strongly hinders the relaxation of the slow particles. The critical density itself does not depend on the dynamical asymmetry and can be identified with the glass-transition density of the mode-coupling theory. The asymptotic dynamics close to the critical density is universal, but strong pre-asymptotic effects prevail in mixtures with additional size asymmetry. This observation reconciles earlier findings of a strong dependence on kinetic parameters of glassy dynamics in colloid--polymer mixtures with the paradigm that the glass transition is determined by the properties of configuration space alone.

cond-mat.soft↗

arXiv2017

Diverging time scale in the dimensional crossover for liquids in strong confinement

We study a strongly interacting dense hard-sphere system confined between two parallel plates by event-driven molecular dynamics simulations to address the fundamental question of the nature of the 3D to 2D crossover. As the fluid becomes more and more confined the dynamics of the transverse and lateral degrees of freedom decouple, which is accompanied by a diverging time scale separating 2D from 3D behavior. Relying on the time-correlation function of the transversal kinetic energy the scaling behavior and its density-dependence is explored. Surprisingly, our simulations reveal that its time-dependence becomes purely exponential such that memory effects can be ignored. We rationalize our findings quantitatively in terms of an analytic theory which becomes exact in the limit of strong confinement.

cond-mat.soft↗

arXiv2014

Correlations of plasticity in sheared glasses

In a recent paper [S. Mandal et al., Phys. Rev. E 88, 022129 (2013)] the nature of spatial correlations of plasticity in hard sphere glasses was addressed both via computer simulations and in experiments. It was found that the experimentally obtained correlations obey a power law whereas the correlations from simulations are better fitted by an exponential decay. We here provide direct evidence--- via simulations of a hard sphere glass in 2D---that this discrepancy is a consequence of the finite system size in the 3D simulations. By extending the study to a 2D soft disk model at zero temperature, the robustness of the power-law decay in sheared amorphous solids is underlined. Deviations from a power law occur when either reducing the packing fraction towards the supercooled regime in the case of hard spheres or changing the dissipation mechanism from contact dissipation to a mean-field type drag for the case of soft disks.

cond-mat.soft↗