Vapour-liquid coexistence in many-body dissipative particle dynamics

Many-body dissipative particle dynamics is constructed to exhibit vapour-liquid coexistence, with a sharp interface, and a vapour phase of vanishingly small density. In this form, the model is an unusual example of a soft-sphere liquid with a potential energy built out of local-density dependent one-particle self energies. The application to fluid mechanics problems involving free surfaces is illustrated by simulation of a pendant drop.Comment: 8 pages, 6 figures, revtex

Polyhedral vesicles

Polyhedral vesicles with a large bending modulus of the membrane such as the gel phase lipid membrane were studied using a Brownian dynamics simulation. The vesicles exhibit various polyhedral morphologies such as tetrahedron and cube shapes. We clarified two types of line defects on the edges of the polyhedrons: cracks of both monolayers at the spontaneous curvature of monolayer $C_{\text {0}}<0$, and a crack of the inner monolayer at $C_{\text {0}}\ge0$. Around the latter defect, the inner monolayer curves positively. Our results suggested that the polyhedral morphology is controlled by $C_{\text {0}}$.Comment: 4 pages, 5 figure

The liquid-vapor interface of an ionic fluid

We investigate the liquid-vapor interface of the restricted primitive model (RPM) for an ionic fluid using a density-functional approximation based on correlation functions of the homogeneous fluid as obtained from the mean-spherical approximation (MSA). In the limit of a homogeneous fluid our approach yields the well-known MSA (energy) equation of state. The ionic interfacial density profiles, which for the RPM are identical for both species, have a shape similar to those of simple atomic fluids in that the decay towards the bulk values is more rapid on the vapor side than on the liquid side. This is the opposite asymmetry of the decay to that found in earlier calculations for the RPM based on a square-gradient theory. The width of the interface is, for a wide range of temperatures, approximately four times the second moment correlation length of the liquid phase. We discuss the magnitude and temperature dependence of the surface tension, and argue that for temperatures near the triple point the ratio of the dimensionless surface tension and critical temperature is much smaller for the RPM than for simple atomic fluids.Comment: 6 postscript figures, submitted to Phys. Rev.

Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview

Here, we review the basic concepts and applications of the phase-field-crystal (PFC) method, which is one of the latest simulation methodologies in materials science for problems, where atomic- and microscales are tightly coupled. The PFC method operates on atomic length and diffusive time scales, and thus constitutes a computationally efficient alternative to molecular simulation methods. Its intense development in materials science started fairly recently following the work by Elder et al. [Phys. Rev. Lett. 88 (2002), p. 245701]. Since these initial studies, dynamical density functional theory and thermodynamic concepts have been linked to the PFC approach to serve as further theoretical fundaments for the latter. In this review, we summarize these methodological development steps as well as the most important applications of the PFC method with a special focus on the interaction of development steps taken in hard and soft matter physics, respectively. Doing so, we hope to present today's state of the art in PFC modelling as well as the potential, which might still arise from this method in physics and materials science in the nearby future.Comment: 95 pages, 48 figure

Anomalous Effects of "Guest" Charges Immersed in Electrolyte: Exact 2D Results

We study physical situations when one or two "guest" arbitrarily-charged particles are immersed in the bulk of a classical electrolyte modelled by a Coulomb gas of positive/negative unit point-like charges, the whole system being in thermal equilibrium. The models are treated as two-dimensional with logarithmic pairwise interactions among charged constituents; the (dimensionless) inverse temperature $\beta$ is considered to be smaller than 2 in order to ensure the stability of the electrolyte against the collapse of positive-negative pairs of charges. Based on recent progress in the integrable (1+1)-dimensional sine-Gordon theory, exact formulas are derived for the chemical potential of one guest charge and for the asymptotic large-distance behavior of the effective interaction between two guest charges. The exact results imply, under certain circumstances, anomalous effects such as an effective attraction (repulsion) between like-charged (oppositely-charged) guest particles and the charge inversion in the electrolyte vicinity of a highly-charged guest particle. The adequacy of the concept of renormalized charge is confirmed in the whole stability region of inverse temperatures and the related saturation phenomenon is revised.Comment: 21 pages, 1 figur

Multipolar Reactive DPD: A Novel Tool for Spatially Resolved Systems Biology

This article reports about a novel extension of dissipative particle dynamics (DPD) that allows the study of the collective dynamics of complex chemical and structural systems in a spatially resolved manner with a combinatorially complex variety of different system constituents. We show that introducing multipolar interactions between particles leads to extended membrane structures emerging in a self-organized manner and exhibiting both the necessary mechanical stability for transport and fluidity so as to provide a two-dimensional self-organizing dynamic reaction environment for kinetic studies in the context of cell biology. We further show that the emergent dynamics of extended membrane bound objects is in accordance with scaling laws imposed by physics.Comment: submitted to CMSB 0

On the nature of the so-called generic instabilities in dissipative relativistic hydrodynamics

It is shown that the so-called generic instabilities that appear in the framework of relativistic linear irreversible thermodynamics, describing the fluctuations of a simple fluid close to equilibrium, arise due to the coupling of heat with hydrodynamic acceleration which appears in Eckart's formalism of relativistic irreversible thermodynamics. Further, we emphasize that such behavior should be interpreted as a contradiction to the postulates of linear irreversible thermodynamics (LIT), namely a violation of Onsager's hypothesis on the regression of fluctuations, and not as fluid instabilities. Such contradictions can be avoided within a relativistic linear framework if a Meixner-like approach to the phenomenological equations is employed.Comment: 13 pages, no figures. Accepted for publication in GR

Hard pomeron enhancement of ultrahigh-energy neutrino-nucleon cross-sections

An unknown small-x behavior of nucleon structure functions gives appreciable uncertainties to high-energy neutrino-nucleon cross-sections. We construct structure functions using at small x Regge inspired description by A. Donnachie and P. V. Landshoff with soft and hard pomerons, and employing at larger x the perturbative QCD expressions. The smooth interpolation between two regimes for each Q^2 is provided with the help of simple polynomial functions. To obtain low-x neutrino-nucleon structure functions $F_2^{\nu N, \bar \nu N}(x,Q^2)$ and singlet part of $F_{3}^{\nu N,\bar \nu N}(x,Q^2)$ from Donnachie-Landshoff function $F_2^{ep}(x,Q^2)$, we use the Q^2-dependent ratios R_2(Q^2) and R_3(Q^2) derived from perturbative QCD calculations. Non-singlet part of F_3 at low x, which is very small, is taken as power-law extrapolation of perturbative function at larger x. This procedure gives a full set of smooth neutrino-nucleon structure functions in the whole range of x and Q^2 at interest. Using these structure functions, we have calculated the neutrino-nucleon cross-sections and compared them with some other cross-sections known in literature. Our cross-sections turn out to be the highest among them at the highest energies, which is explained by contribution of the hard pomeron.Comment: Final revised version, accepted by Phys. Rev. D; 18 pages, 7 figure