Pulak Kumar Ghosh

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.

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.

Giant negative mobility of Janus particles in a corrugated channel.

We numerically simulate the transport of elliptic Janus particles along narrow two-dimensional channels with reflecting walls. The self-propulsion velocity of the particle is oriented along either its major (prolate) or minor axis (oblate). In smooth channels, we observe long diffusion transients: ballistic for prolate particles and zero diffusion for oblate particles. Placed in a rough channel, prolate particles tend to drift against an applied drive by tumbling over the wall protrusions; for appropriate aspect ratios, the modulus of their negative mobility grows exceedingly large (giant negative mobility). This suggests that a small external drive suffices to efficiently direct self-propulsion of rod-like Janus particles in rough channels.

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.

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 ∼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.

Langevin dynamics with dichotomous noise; direct simulation and applications

We consider the motion of a Brownian particle moving in a potential field and driven by dichotomous noise with exponential correlation. Traditionally, the analytic as well as the numerical treatments of the problem, in general, rely on a Fokker–Planck description. We present a method for direct numerical simulation of dichotomous noise to solve the Langevin equation. The method is applied to calculate the nonequilibrium fluctuation induced current in a symmetric periodic potential using asymmetric dichotomous noise and compared to a Fokker–Planck–master equation based algorithm for a range of parameter values. Our second application concerns the study of resonant activation over a fluctuating barrier.

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.

Communication: Driven Brownian transport in eccentric septate channels

In eccentric septate channels the pores connecting adjacent compartments are shifted off-axis, either periodically or randomly, so that straight trajectories parallel to the axis are not allowed. Driven transport of a Brownian particle in such a channel is characterized by a strong suppression of the current and its dispersion. For large driving forces, both quantities approach an asymptotic value, which can be analytically approximated in terms of the stationary distribution of the particle exit times out of a single channel compartment.

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.

Brownian transport in corrugated channels with inertia.

Transport of suspended Brownian particles dc driven along corrugated narrow channels is numerically investigated in the regime of finite damping. We show that inertial corrections cannot be neglected as long as the width of the channel bottlenecks is smaller than an appropriate particle diffusion length, which depends on the the channel corrugation and the drive intensity. With such a diffusion length being inversely proportional to the damping constant, transport through sufficiently narrow obstructions turns out to be always sensitive to the viscosity of the suspension fluid. The inertia corrections to the transport quantifiers, mobility, and diffusivity markedly differ for smoothly and sharply corrugated channels.