Non-equilibrium dynamics of an active colloidal "chucker"

We report Monte Carlo simulations of the dynamics of a "chucker": a colloidal particle which emits smaller solute particles from its surface, isotropically and at a constant rate k_c. We find that the diffusion constant of the chucker increases for small k_c, as recently predicted theoretically. At large k_c the chucker diffuses more slowly due to crowding effects. We compare our simulation results to those of a "point particle" Langevin dynamics scheme in which the solute concentration field is calculated analytically, and in which hydrodynamic effects can be included albeit in an approximate way. By simulating the dragging of a chucker, we obtain an estimate of its apparent mobility coefficient which violates the fluctuation-dissipation theorem. We also characterise the probability density profile for a chucker which sediments onto a surface which either repels or absorbs the solute particles, and find that the steady state distributions are very different in the two cases. Our simulations are inspired by the biological example of exopolysaccharide-producing bacteria, as well as by recent experimental, simulation and theoretical work on phoretic colloidal "swimmers".Comment: re-submission after referee's comment

Coarse-grained Interaction Potentials for Anisotropic Molecules

We have proposed an efficient parameterization method for a recent variant of the Gay-Berne potential for dissimilar and biaxial particles and demonstrated it for a set of small organic molecules. Compared to the previously proposed coarse-grained models, the new potential exhibits a superior performance in close contact and large distant interactions. The repercussions of thermal vibrations and elasticity has been studied through a statistical method. The study justifies that the potential of mean force is representable with the same functional form, extending the application of this coarse-grained description to a broader range of molecules. Moreover, the advantage of employing coarse-grained models over truncated atomistic summations with large distance cutoffs has been briefly studied.Comment: 8 pages, 4 tables and 6 figures. To appear in J. Chem. Phy

Plasmas generated by ultra-violet light rather than electron impact

We analyze, in both plane and cylindrical geometries, a collisionless plasma consisting of an inner region where generation occurs by UV illumination, and an un-illuminated outer region with no generation. Ions generated in the inner region flow outwards through the outer region and into a wall. We solve for this system's steady state, first in the quasi-neutral regime (where the Debye length ${\lambda}_D$ vanishes and analytic solutions exist) and then in the general case, which we solve numerically. In the general case a double layer forms where the illuminated and un-illuminated regions meet, and an approximately quasi-neutral plasma connects the double layer to the wall sheath; in plane geometry the ions coast through the quasi-neutral section at slightly more than the Bohm speed $c_s$. The system, although simple, therefore has two novel features: a double layer that does not require counter-streaming ions and electrons, and a quasi-neutral plasma where ions travel in straight lines with at least the Bohm speed. We close with a pr\'{e}cis of our asymptotic solutions of this system, and suggest how our theoretical conclusions might be extended and tested in the laboratory.Comment: 10 pages, 3 figures, accepted by Physics of Plasma

Ion-water clusters, bulk medium effects, and ion hydration

Thermochemistry of gas-phase ion-water clusters together with estimates of the hydration free energy of the clusters and the water ligands are used to calculate the hydration free energy of the ion. Often the hydration calculations use a continuum model of the solvent. The primitive quasichemical approximation to the quasichemical theory provides a transparent framework to anchor such efforts. Here we evaluate the approximations inherent in the primitive quasichemical approach and elucidate the different roles of the bulk medium. We find that the bulk medium can stabilize configurations of the cluster that are usually not observed in the gas phase, while also simultaneously lowering the excess chemical potential of the ion. This effect is more pronounced for soft ions. Since the coordination number that minimizes the excess chemical potential of the ion is identified as the optimal or most probable coordination number, for such soft ions, the optimum cluster size and the hydration thermodynamics obtained without account of the bulk medium on the ion-water clustering reaction can be different from those observed in simulations of the aqueous ion. The ideas presented in this work are expected to be relevant to experimental studies that translate thermochemistry of ion-water clusters to the thermodynamics of the hydrated ion and to evolving theoretical approaches that combine high-level calculations on clusters with coarse-grained models of the medium

Elementary Excitations of a Bose-Einstein Condensate in an Effective Magnetic Field

We calculate the low energy elementary excitations of a Bose-Einstein Condensate in an effective magnetic field. The field is created by the interplay between light beams carrying orbital angular momentum and the trapped atoms. We examine the role of the homogeneous magnetic field, familiar from studies of rotating condensates, and also investigate spectra for vector potentials with a more general radial dependence. We discuss the instabilities which arise and how these may be manifested.Comment: 8 pages, 4 figure

Analysis and application of digital spectral warping in analog and mixed-signal testing

Spectral warping is a digital signal processing transform which shifts the frequencies contained within a signal along the frequency axis. The Fourier transform coefficients of a warped signal correspond to frequency-domain 'samples' of the original signal which are unevenly spaced along the frequency axis. This property allows the technique to be efficiently used for DSP-based analog and mixed-signal testing. The analysis and application of spectral warping for test signal generation, response analysis, filter design, frequency response evaluation, etc. are discussed in this paper along with examples of the software and hardware implementation

Depletion effects and loop formation in self-avoiding polymers

Langevin dynamics is employed to study the looping kinetics of self-avoiding polymers both in ideal and crowded solutions. A rich kinetics results from the competition of two crowding-induced effects: the depletion attraction and the enhanced viscous friction. For short chains, the enhanced friction slows down looping, while, for longer chains, the depletion attraction renders it more frequent and persistent. We discuss the possible relevance of the findings for chromatin looping in living cells.Comment: 4 pages, 3 figure

Is a single photon's wave front observable?

The ultimate goal and the theoretical limit of weak signal detection is the ability to detect a single photon against a noisy background. [...] In this paper we show, that a combination of a quantum metamaterial (QMM)-based sensor matrix and quantum non-demolition (QND) readout of its quantum state allows, in principle, to detect a single photon in several points, i.e., to observe its wave front. Actually, there are a few possible ways of doing this, with at least one within the reach of current experimental techniques for the microwave range. The ability to resolve the quantum-limited signal from a remote source against a much stronger local noise would bring significant advantages to such diverse fields of activity as, e.g., microwave astronomy and missile defence. The key components of the proposed method are 1) the entangling interaction of the incoming photon with the QMM sensor array, which produces the spatially correlated quantum state of the latter, and 2) the QND readout of the collective observable (e.g., total magnetic moment), which characterizes this quantum state. The effects of local noise (e.g., fluctuations affecting the elements of the matrix) will be suppressed relative to the signal from the spatially coherent field of (even) a single photon.Comment: 13 pages, 4 figure