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Pulak Kumar Ghosh

Publications and source records attributed to Pulak Kumar Ghosh.

At least 19 recordsLinked to original sources

Particle-Wall Alignment Interaction and Active Brownian Diffusion Through Narrow Channels

We numerically examine the impacts of particle-wall alignment interactions on active species diffusion through a structureless narrow two-dimensional channel. We consider particle-wall interaction to depend on the self-propulsion velocity direction whereby some specific particle's alignments with respect to the boundary walls are stabilized most. Further, the alignment interaction is meaningful as long as particles are close to the confining boundaries. Unbiased diffusion of active particles for various possible stable velocity alignments against the walls has been examined. We show that for the most stable configuration leading to self-propulsion velocity direction perpendicular to the wall, diffusivity becomes inversely proportional to the square of alignment interaction torque. On the other hand, when the self-propulsion velocity direction making an acute angle to the channel walls is the most stable configuration, diffusion exponentially grows with strengthening alignment interaction. Hence, particle-wall interaction plays a pivotal role in the transport control of active particles through narrow channels. Moreover, the impacts of the alignment interactions on diffusion largely depend on the particle's self-propulsion properties and its chirality. Our simulation results can potentially be used to understand unbiased diffusion of artificial or living micro/nano-objects (such as virus, bacteria, Janus particles, etc.) though narrow confined structures.

cond-mat.soft

Binary Mixtures in Linear Convection Arrays

We numerically investigated the dynamics of a mixture of finite-size active and passive particles in a linear array of convection rolls. The interplay of advection and steric interactions produces a number of interesting effects, like the stirring of a passive colloidal fluid by a small fraction of slow active particles, or the separation of the mixture active and passive colloidal fractions by increasing the motility of the active one, which eventually clusters in stagnation areas along the array walls. These mechanisms are quantitatively characterized by studying the dependence of the diffusion constants of the active and passive particles on the parameters of the active mixture fraction.

cond-mat.soft

Active Particle Diffusion in Convection Roll Arrays

We numerically investigated the Brownian motion of active Janus particles in a linear array of planar counter-rotating convection rolls at high P\'eclet numbers. Similarly to passive particles, active microswimmers exhibit advection enhanced diffusion, but only for self-propulsion speeds up to a critical value. The diffusion of faster Janus particles is governed by advection along the array's edges, whereby distinct diffusion regimes are observed and characterized. Contrary to passive particles, the relevant spatial distributions of active Janus particles are inhomogeneous. These peculiar properties of active matter are related to the combined action of noise and self-propulsion in a confined geometry and hold regardless of the actual flow boundary conditions.

cond-mat.stat-mech

Structure and diffusion of active-passive binary mixtures in a single-file

We numerically study structure and dynamics of single files composed of active particles, as well as, active-passive binary mixtures. Our simulation results show that when the persistent length of self-propelled particles is much larger than the average inter-particle separation and the self-propulsion velocity is larger than the thermal velocity, particles in the file exist as clusters of various sizes. Average cluster size and structures of the file are very sensitive to self-propulsion properties, thermal fluctuations and composition of the mixture. In addition to the variation of file composition, our study considers two sorts of mixture configurations. One corresponds to the uniform distribution of active passive throughout the mixture in the single file. In the other configuration, active particles are on one side of the file. For the both configurations, even a little fraction of active particles produces a large impact on the structure and dynamics of the file.

cond-mat.soft

Activated barrier crossing dynamics of a Janus particle carrying cargo

We numerically study the escape kinetics of a self-propelled Janus particle, carrying a cargo, from a meta-stable state. We assume that the cargo is attached to the Janus particle by a flexible harmonic spring. We take into account the effect of velocity field, created in the fluid due to movements of dimer's components, by considering space-dependent diffusion tensor (Oseen tensor). Our simulation results show that the synchronization between barrier crossing events and rotational relaxation process can enhance escape rate to a large extent. Also, the load carrying capability of a Janus particle is largely controlled by its rotational dynamics and self-propulsion velocity. Moreover, the hydrodynamic interaction, conspicuously, enhances the escape rate of the Janus-cargo dimer. The most of the important features in escape kinetics have been justified based on the analytic arguments.

cond-mat.soft

Diffusion of Chiral Janus Particles in a Sinusoidal Channel

We investigate the transport diffusivity of artificial microswimmers, a.k.a. Janus particles, moving in a sinusoidal channel in the absence of external biases. Their diffusion constant turns out to be quite sensitive to the self-propulsion mechanism and the geometry of the channel compartments. Our analysis thus suggests how to best control the diffusion of active Brownian motion in confined geometries.

cond-mat.soft

Active Brownian motion in a narrow channel

We review recent advances in rectification control of artificial microswimmers, also known as Janus particles, diffusing along narrow, periodically corrugated channels. The swimmer self-propulsion mechanism is modeled so as to incorporate a nonzero torque (propulsion chirality). We first summarize the effects of chirality on the autonomous current of microswimmers freely diffusing in channels of different geometries. In particular, left-right and upside-down asymmetric channels are shown to exhibit different transport properties. We then report new results on the dependence of the diffusivity of chiral microswimmers on the channel geometry and their own self-propulsion mechanism. The self-propulsion torque turns out to play a key role as a transport control parameter.

cond-mat.soft

Escape Kinetics of Self-Propelled Janus Particles from a Cavity: Numerical Simulations

We numerically investigate the escape kinetics of elliptic Janus particles from narrow two-dimensional cavities with reflecting walls. The self-propulsion velocity of the Janus particle is directed along either their major (prolate) or minor axis (oblate). We show that the mean exit time is very sensitive to the cavity geometry, particle shape and self-propulsion strength. The mean exit time is found to be a minimum when the self-propulsion length is equal to the cavity size. We also find the optimum mean escape time as a function of the self-propulsion velocity, translational diffusion, and particle shape. Thus, effective transport control mechanisms for Janus particles in a channel can be implemented.

physics.bio-ph

Self-propelled Janus particles in a ratchet: Numerical simulations

Brownian transport of self-propelled overdamped microswimmers (like Janus particles) in a two-dimensional periodically compartmentalized channel is numerically investigated for different compartment geometries, boundary collisional dynamics, and particle rotational diffusion. The resulting time-correlated active Brownian motion is subject to rectification in the presence of spatial asymmetry. We prove that ratcheting of Janus particles can be orders of magnitude stronger than for ordinary thermal potential ratchets and thus experimentally accessible. In particular, autonomous pumping of a large mixture of passive particles can be induced by just adding a small fraction of Janus particles.

physics.bio-ph

Geometric Stochastic Resonance

A Brownian particle moving across a porous membrane subject to an oscillating force exhibits stochastic resonance with properties which strongly depend on the geometry of the confining cavities on the two sides of the membrane. Such a manifestation of stochastic resonance requires neither energetic nor entropic barriers, and can thus be regarded as a purely geometric effect. The magnitude of this effect is sensitive to the geometry of both the cavities and the pores, thus leading to distinctive optimal synchronization conditions.

physics.chem-ph

Characterizing dynamical transitions in bistable system using non-equilibrium measurement of work

We show how Jarzynski relation can be exploited to analyze the nature of order-disorder and a bifurcation type dynamical transition in terms of a response function derived on the basis of work distribution over non-equilibrium paths between two thermalized states. The validity of the response function extends over linear as well as nonlinear regime and far from equilibrium situations.

physics.chem-ph

Noise correlation-induced splitting of Kramers' escape rate from a metastable state

A correlation between two noise processes driving the thermally activated particles in a symmetric triple well potential, may cause a symmetry breaking and a difference in relative stability of the two side wells with respect to the middle one. This leads to an asymmetric localization of population and splitting of Kramers' rate of escape from the middle well, ensuring a preferential distribution of the products in the course of a parallel reaction.

physics.chem-ph

Interference of stochastic resonances: Splitting of Kramers' rate

We consider the escape of particles located in the middle well of a symmetric triple well potential driven sinusoidally by two forces such that the potential wells roll as in stochastic resonance and the height of the potential barrier oscillates symmetrically about a mean as in resonant activation. It has been shown that depending on their phase difference the application of these two synchronized signals may lead to a splitting of time averaged Kramers' escape rate and a preferential product distribution in a parallel chemical reaction in the steady state.

physics.chem-ph

Kinetics of self-induced aggregation of Brownian particles: non-Markovian and non-Gaussian features

In this paper we have studied a model for self-induced aggregation in Brownian particle incorporating the non-Markovian and non-Gaussian character of the associated random noise process. In this model the time evolution of each individual is guided by an over-damped Langevin equation of motion with a non-local drift resulting from the local unbalance distributions of the other individuals. Our simulation result shows that colored nose can induce the cluster formation even at large noise strength. Another observation is that critical noise strength grows very rapidly with increase of noise correlation time for Gaussian noise than non Gaussian one. However, at long time limit the cluster number in aggregation process decreases with time following a power law. The exponent in the power law increases remarkable for switching from Markovian to non Markovian noise process.

physics.chem-ph

Periodic force induced stabilization or destabilization of the denatured state of a protein

We have studied the effects of an external sinusoidal force in protein folding kinetics. The externally applied force field acts on the each amino acid residues of polypeptide chains. Our simulation results show that mean protein folding time first increases with driving frequency and then decreases passing through a maximum. With further increase of the driving frequency the mean folding time starts increasing as the noise-induced hoping event (from the denatured state to the native state) begins to experience many oscillations over the mean barrier crossing time period. Thus unlike one-dimensional barrier crossing problems, the external oscillating force field induces both \emph{stabilization or destabilization of the denatured state} of a protein. We have also studied the parametric dependence of the folding dynamics on temperature, viscosity, non-Markovian character of bath in presence of the external field.

physics.chem-ph

Quantum effects in energy and charge transfer in an artificial photosynthetic complex

We investigate the quantum dynamics of energy and charge transfer in a wheel-shaped artificial photosynthetic antenna-reaction center complex.This complex consists of six light-harvesting chromophores and an electron-acceptor fullerene. To describe quantum effects on a femtosecond time scale, we derive the set of exact non-Markovian equations for the Heisenberg operators of this photosynthetic complex in contact with a Gaussian heat bath. With these equations we can analyze the regime of strong system-bath interactions, where reorganization energies are of the order of the intersite exciton couplings. We show that the energy of the initially-excited antenna chromophores is efficiently funneled to the porphyrin-fullerene reaction center, where a charge-separated state is set up in a few picoseconds, with a quantum yield of the order of 95%. In the single-exciton regime, with one antenna chromophore being initially excited, we observe quantum beatings of energy between two resonant antenna chromophores with a decoherence time of $\sim$ 100 fs. We also analyze the double-exciton regime, when two porphyrin molecules involved in the reaction center are initially excited. In this regime we obtain pronounced quantum oscillations of the charge on the fullerene molecule with a decoherence time of about 20 fs (at liquid nitrogen temperatures). These results show a way to directly detect quantum effects in artificial photosynthetic systems.

physics.bio-ph

Artificial photosynthetic reaction centers coupled to light-harvesting antennas

We analyze a theoretical model for energy and electron transfer in an artificial photosynthetic system. The photosystem consists of a molecular triad (i.e., with a donor, a photosensitive unit, and an acceptor) coupled to four accessory light-harvesting antennas pigments. The excitation energy transfer from the antennas to the artificial reaction center (the molecular triad) is here described by the Förster mechanism. We consider two different kinds of arrangements of the accessory light-harvesting pigments around the reaction center. The first arrangement allows direct excitation transfer to the reaction center from all the surrounding pigments. The second configuration transmits energy via a cascade mechanism along a chain of light-harvesting chromophores, where only one chromophore is connected to the reaction center. At first sight, it would appear that the star-shaped configuration, with all the antennas directly coupled to the photosensitive center, would be more efficient. However, we show that the artificial photosynthetic system using the cascade energy transfer absorbs photons in a broader wavelength range and converts their energy into electricity with a higher efficiency than the system based on direct couplings between all the antenna chromophores and the reaction center.

physics.bio-ph

Modelling light-driven proton pumps in artificial photosynthetic reaction centers

We study a model of a light-induced proton pump in artificial reaction centers. The model contains a molecular triad with four electron states (i.e., one donor state, two photosensitive group states, and one acceptor state) as well as a molecular shuttle having one electron and one proton-binding sites. The shuttle diffuses between the sides of the membrane and translocates protons energetically uphill: from the negative side to the positive side of the membrane, harnessing for this purpose the energy of the electron-charge-separation produced by light. Using methods of quantum transport theory we calculate the range of light intensity and transmembrane potentials that maximize both the light-induced proton current and the energy transduction efficiency. We also study the effect of temperature on proton pumping. The light-induced proton pump in our model gives a quantum yield of proton translocation of about 55 %. Thus, our results explain previous experiments on these artificial photosynthetic reaction centers.

physics.bio-ph