Strong-Coupling Theory for Counter-Ion Distributions

The Poisson-Boltzmann approach gives asymptotically exact counter-ion density profiles around charged objects in the weak-coupling limit of low valency and high temperature. In this paper we derive, using field-theoretic methods, a theory which becomes exact in the opposite limit of strong coupling. Formally, it corresponds to a standard virial expansion. Long-range divergences, which render the virial expansion intractable for homogeneous bulk systems, are shown to be renormalizable for the case of inhomogeneous distribution functions by a systematic expansion in inverse powers of the coupling parameter. For a planar charged wall, our analytical results compare quantitatively with extensive Monte-Carlo simulations.Comment: 7 pages, 3 figures; to appear in Europhys. Let

Instabilities and turbulence-like dynamics in an oppositely driven binary particle mixture

Using extensive particle-based simulations, we investigate out-of-equilibrium pattern dynamics in an oppositely driven binary particle system in two dimensions. A surprisingly rich dynamical behavior including lane formation, jamming, oscillation and turbulence-like dynamics is found. The ratio of two friction coefficients is a key parameter governing the stability of lane formation. When the friction coefficient transverse to the external force direction is sufficiently small compared to the longitudinal one, the lane structure becomes unstable to shear-induced disturbances, and the system eventually exhibits a dynamical transition into a novel turbulence-like phase characterized by random convective flows. We numerically construct an out-of-equilibrium phase diagram. Statistical analysis of complex spatio-temporal dynamics of the fully nonlinear turbulence-like phase suggests its apparent reminiscence to the swarming dynamics in certain active matter systems.Comment: 6 pages, 6 figures, accepted for publication in EP

Collective exchange processes reveal an active site proton cage in bacteriorhodopsin

Proton translocation across membranes is vital to all kingdoms of life. Mechanistically, it relies on characteristic proton flows and modifications of hydrogen bonding patterns, termed protonation dynamics, which can be directly observed by fast magic angle spinning (MAS) NMR. Here, we demonstrate that reversible proton displacement in the active site of bacteriorhodopsin already takes place in its equilibrated dark-state, providing new information on the underlying hydrogen exchange processes. In particular, MAS NMR reveals proton exchange at D85 and the retinal Schiff base, suggesting a tautomeric equilibrium and thus partial ionization of D85. We provide evidence for a proton cage and detect a preformed proton path between D85 and the proton shuttle R82. The protons at D96 and D85 exchange with water, in line with ab initio molecular dynamics simulations. We propose that retinal isomerization makes the observed proton exchange processes irreversible and delivers a proton towards the extracellular release site

Discrete elastic model for stretching-induced flagellar polymorphs

Force-induced reversible transformations between coiled and normal polymorphs of bacterial flagella have been observed in recent optical-tweezer experiment. We introduce a discrete elastic rod model with two competing helical states governed by a fluctuating spin-like variable that represents the underlying conformational states of flagellin monomers. Using hybrid Brownian dynamics Monte-Carlo simulations, we show that a helix undergoes shape transitions dominated by domain wall nucleation and motion in response to externally applied uniaxial tension. A scaling argument for the critical force is presented in good agreement with experimental and simulation results. Stretching rate-dependent elasticity including a buckling instability are found, also consistent with the experiment

New Criticality of 1D Fermions

One-dimensional massive quantum particles (or 1+1-dimensional random walks) with short-ranged multi-particle interactions are studied by exact renormalization group methods. With repulsive pair forces, such particles are known to scale as free fermions. With finite $m$-body forces (m = 3,4,...), a critical instability is found, indicating the transition to a fermionic bound state. These unbinding transitions represent new universality classes of interacting fermions relevant to polymer and membrane systems. Implications for massless fermions, e.g. in the Hubbard model, are also noted. (to appear in Phys. Rev. Lett.)Comment: 10 pages (latex), with 2 figures (not included

Counterions at Charged Cylinders: Criticality and universality beyond mean-field

The counterion-condensation transition at charged cylinders is studied using Monte-Carlo simulation methods. Employing logarithmically rescaled radial coordinates, large system sizes are tractable and the critical behavior is determined by a combined finite-size and finite-ion-number analysis. Critical counterion localization exponents are introduced and found to be in accord with mean-field theory both in 2 and 3 dimensions. In 3D the heat capacity shows a universal jump at the transition, while in 2D, it consists of discrete peaks where single counterions successively condense.Comment: 4 pages, 3 figures; submitted to Phys. Rev. Lett. (2005

The Selection of High-Skilled Emigrants

We measure selection among high-skilled emigrants from Germany using predicted earnings. Migrants to less equal countries are positively selected relative to nonmigrants, while migrants to more equal countries are negatively selected, consistent with the prediction in Borjas (1987). Positive selection to less equal countries reflects university quality and grades, and negative selection to more equal countries reflects university subject and gender. Migrants to the United States are highly positively selected and concentrated in STEM fields. Our results highlight the relevance of the Borjas model for high-skilled individuals when credit constraints and other migration barriers are unlikely to be binding

Thermodynamic and dynamic anomalies for a three dimensional isotropic core-softened potential

Using molecular dynamics simulations and integral equations (Rogers-Young, Percus-Yevick and hypernetted chain closures) we investigate the thermodynamic of particles interacting with continuous core-softened intermolecular potential. Dynamic properties are also analyzed by the simulations. We show that, for a chosen shape of the potential, the density, at constant pressure, has a maximum for a certain temperature. The line of temperatures of maximum density (TMD) was determined in the pressure-temperature phase diagram. Similarly the diffusion constant at a constant temperature, $D$, has a maximum at a density $\rho_{max}$ and a minimum at a density $\rho_{min}<\rho_{max}$. In the pressure-temperature phase-diagram the line of extrema in diffusivity is outside of TMD line. Although in this interparticle potential lacks directionality, this is the same behavior observed in SPC/E water.Comment: 16 page

Non-equilibrium hydrodynamics of a rotating filament

The nonlinear dynamics of an elastic filament that is forced to rotate at its base is studied by hydrodynamic simulation techniques; coupling between stretch, bend, twist elasticity and thermal fluctuations is included. The twirling-overwhirling transition is located and found to be strongly discontinuous. For finite bend and twist persistence length, thermal fluctuations lower the threshold rotational frequency, for infinite persistence length the threshold agrees with previous analytical predictions