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

High-field (40 T) magnetization studies of linear Heisenberg chains with alternating exchange

Metals in Catalysis, Biomimetics & Inorganic Material

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.

The Gamma Ray Bursts GRB970228 and GRB970508: What Have We Learnt?

We examine what we regard as key observational results on GRB 970228 and GRB 970508 and show that the accumulated evidence strongly suggests that gamma-ray bursts (GRBs) are cosmological fireballs. We further show that the observations suggest that GRBs are not associated with the nuclear activity of active galactic nuclei, and that late-type galaxies are more prolific producers of GRBs. We suggest that GRBs can be used to trace the cosmic history of the star-formation rate. Finally, we show that the GRB locations with respect to the star-forming regions in their host galaxies and the total burst energies can be used to distinguish between different theoretical models for GRBs.Comment: 7 pages (with 2 embedded figures), to be published in the Proceedings of the Fourth Huntsville Gamma-Ray Burst Symposium, held Sep 15-20, 1997, Huntsville, Alabam

Three-body interactions in colloidal systems

We present the first direct measurement of three-body interactions in a colloidal system comprised of three charged colloidal particles. Two of the particles have been confined by means of a scanned laser tweezers to a line-shaped optical trap where they diffused due to thermal fluctuations. Upon the approach of a third particle, attractive three-body interactions have been observed. The results are in qualitative agreement with additionally performed nonlinear Poissson-Boltzmann calculations, which also allow us to investigate the microionic density distributions in the neighborhood of the interacting colloidal particles

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

Foundations of Dissipative Particle Dynamics

We derive a mesoscopic modeling and simulation technique that is very close to the technique known as dissipative particle dynamics. The model is derived from molecular dynamics by means of a systematic coarse-graining procedure. Thus the rules governing our new form of dissipative particle dynamics reflect the underlying molecular dynamics; in particular all the underlying conservation laws carry over from the microscopic to the mesoscopic descriptions. Whereas previously the dissipative particles were spheres of fixed size and mass, now they are defined as cells on a Voronoi lattice with variable masses and sizes. This Voronoi lattice arises naturally from the coarse-graining procedure which may be applied iteratively and thus represents a form of renormalisation-group mapping. It enables us to select any desired local scale for the mesoscopic description of a given problem. Indeed, the method may be used to deal with situations in which several different length scales are simultaneously present. Simulations carried out with the present scheme show good agreement with theoretical predictions for the equilibrium behavior.Comment: 18 pages, 7 figure