A finite excluded volume bond-fluctuation model: Static properties of dense polymer melts revisited

The classical bond-fluctuation model (BFM) is an efficient lattice Monte Carlo algorithm for coarse-grained polymer chains where each monomer occupies exclusively a certain number of lattice sites. In this paper we propose a generalization of the BFM where we relax this constraint and allow the overlap of monomers subject to a finite energy penalty \overlap. This is done to vary systematically the dimensionless compressibility $g$ of the solution in order to investigate the influence of density fluctuations in dense polymer melts on various s tatic properties at constant overall monomer density. The compressibility is obtained directly from the low-wavevector limit of the static structure fa ctor. We consider, e.g., the intrachain bond-bond correlation function, $P(s)$, of two bonds separated by $s$ monomers along the chain. It is shown that the excluded volume interactions are never fully screened for very long chains. If distances smaller than the thermal blob size are probed ($s \ll g$) the chains are swollen acc ording to the classical Fixman expansion where, e.g., $P(s) \sim g^{-1}s^{-1/2}$. More importantly, the polymers behave on larger distances ($s \gg g$) like swollen chains of incompressible blobs with P(s) \si m g^0s^{-3/2}.Comment: 46 pages, 12 figure

Public health training in Europe. Development of European masters degrees in public health.

BACKGROUND: Changing political and economic relations in Europe mean that there are new challenges for public health and public health training. There have been several attempts to develop training at the master's level in public health which is focused on meeting the new needs. These have failed due to being too inflexible to allow participation by schools of public health. METHODS: A project funded by the European Union involving public health trainers has developed a new approach which allows participating schools to retain their national differences and work within local rules and traditions, but which aims to introduce the European dimension into public health training. This paper reports the conclusions of this project. CONCLUSIONS: A network of schools wishing to develop European Master's degrees is being established and other schools offering good quality programmes will be able to join

On the Dynamics and Disentanglement in Thin and Two-Dimensional Polymer Films

We present results from molecular dynamics simulations of strictly two-dimensional (2D) polymer melts and thin polymer films in a slit geometry of thickness of the order of the radius of gyration. We find that the dynamics of the 2D melt is qualitatively different from that of the films. The 2D monomer mean-square displacement shows a $t^{8/15}$ power law at intermediate times instead of the $t^{1/2}$ law expected from Rouse theory for nonentangled chains. In films of finite thickness, chain entanglements may occur. The impact of confinement on the entanglement length $N_\mathrm{e}$ has been analyzed by a primitive path analysis. The analysis reveals that $N_\mathrm{e}$ increases strongly with decreasing film thickness.Comment: 6 pages, 3 figures, proceedings 3rd International Workshop on Dynamics in Confinement (CONFIT 2006

Non-extensivity of the chemical potential of polymer melts

Following Flory's ideality hypothesis the chemical potential of a test chain of length $n$ immersed into a dense solution of chemically identical polymers of length distribution P(N) is extensive in $n$. We argue that an additional contribution $\delta \mu_c(n) \sim +1/\rho\sqrt{n}$ arises ($\rho$ being the monomer density) for all $\P(N)$ if $n \ll$ which can be traced back to the overall incompressibility of the solution leading to a long-range repulsion between monomers. Focusing on Flory distributed melts we obtain $\delta \mu_c(n) \approx (1- 2 n/) / \rho \sqrt{n}$ for $n \ll ^2$, hence, $\delta \mu_c(n) \approx - 1/\rho \sqrt{n}$ if $n$ is similar to the typical length of the bath $$. Similar results are obtained for monodisperse solutions. Our perturbation calculations are checked numerically by analyzing the annealed length distribution P(N) of linear equilibrium polymers generated by Monte Carlo simulation of the bond-fluctuation model. As predicted we find, e.g., the non-exponentiality parameter $K_p \equiv 1 - /p!^p$ to decay as $K_p \approx 1 / \sqrt{}$ for all moments $p$ of the distribution.Comment: 14 pages, 6 figures, submitted to EPJ

The Expected Duration of Gamma-Ray Bursts in the Impulsive Hydrodynamic Models

Depending upon the various models and assumptions, the existing literature on Gamma Ray Bursts (GRBs) mentions that the gross theoretical value of the duration of the burst in the hydrodynamical models is tau~r^2/(eta^2 c), where r is the radius at which the blastwave associated with the fireball (FB) becomes radiative and sufficiently strong. Here eta = E/Mc^2, c is the speed of light, E is initial lab frame energy of the FB, and M is the baryonic mass of the same (Rees and Meszaros 1992). However, within the same basic framework, some authors (like Katz and Piran) have given tau ~ r^2 /(eta c). We intend to remove this confusion by considering this problem at a level deeper than what has been considered so far. Our analysis shows that none of the previously quoted expressions are exactly correct and in case the FB is produced impulsively and the radiative processes responsible for the generation of the GRB are sufficiently fast, its expected duration would be tau ~ar^2/(eta^2 c), where a~O(10^1). We further discuss the probable change, if any, of this expression, in case the FB propagates in an anisotropic fashion. We also discuss some associated points in the context of the Meszaros and Rees scenario.Comment: 21 pages, LATEX (AAMS4.STY -enclosed), 1 ps. Fig. Accepted in Astrophysical Journa

Relativistic Jets from Collapsars

We have studied the relativistic beamed outflow proposed to occur in the collapsar model of gamma-ray bursts. A jet forms as a consequence of an assumed energy deposition of $\sim 10^{50}- 10^{51}$ erg/s within a $30^{\circ}$ cone around the rotation axis of the progenitor star. The generated jet flow is strongly beamed (\la few degrees) and reaches the surface of the stellar progenitor (r $\approx 3 10^{10}$cm) intact. At break-out the maximum Lorentz factor of the jet flow is about 33. Simulations have been performed with the GENESIS multi-dimensional relativistic hydrodynamic code.Comment: 6 pages, 2 figures, to appear in the proceedings of the conference "Godunov methods: theory and applications", Oxford, October 199

Single chain structure in thin polymer films: Corrections to Flory's and Silberberg's hypotheses

Conformational properties of polymer melts confined between two hard structureless walls are investigated by Monte Carlo simulation of the bond-fluctuation model. Parallel and perpendicular components of chain extension, bond-bond correlation function and structure factor are computed and compared with recent theoretical approaches attempting to go beyond Flory's and Silberberg's hypotheses. We demonstrate that for ultrathin films where the thickness, $H$, is smaller than the excluded volume screening length (blob size), $\xi$, the chain size parallel to the walls diverges logarithmically, $R^2/2N \approx b^2 + c \log(N)$ with $c \sim 1/H$. The corresponding bond-bond correlation function decreases like a power law, $C(s) = d/s^{\omega}$ with $s$ being the curvilinear distance between bonds and $\omega=1$. % Upon increasing the film thickness, $H$, we find -- in contrast to Flory's hypothesis -- the bulk exponent $\omega=3/2$ and, more importantly, an {\em decreasing} $d(H)$ that gives direct evidence for an {\em enhanced} self-interaction of chain segments reflected at the walls. Systematic deviations from the Kratky plateau as a function of $H$ are found for the single chain form factor parallel to the walls in agreement with the {\em non-monotonous} behaviour predicted by theory. This structure in the Kratky plateau might give rise to an erroneous estimation of the chain extension from scattering experiments. For large $H$ the deviations are linear with the wave vector, $q$, but are very weak. In contrast, for ultrathin films, $H<\xi$, very strong corrections are found (albeit logarithmic in $q$) suggesting a possible experimental verification of our results.Comment: 16 pages, 7 figures. Dedicated to L. Sch\"afer on the occasion of his 60th birthda

Supramolecular hierarchy among halogen and hydrogen bond donors in light-induced surface patterning

Halogen bonding, a noncovalent interaction possessing several unique features compared to the more familiar hydrogen bonding, is emerging as a powerful tool in functional materials design. Herein, we unambiguously show that one of these characteristic features, namely high directionality, renders halogen bonding the interaction of choice when developing azobenzene-containing supramolecular polymers for light-induced surface patterning. The study is conducted by using an extensive library of azobenzene molecules that differ only in terms of the bond-donor unit. We introduce a new tetrafluorophenol-containing azobenzene photoswitch capable of forming strong hydrogen bonds, and show that an iodoethynyl-containing azobenzene comes out on top of the supramolecular hierarchy to provide unprecedented photoinduced surface patterning efficiency. Specifically, the iodoethynyl motif seems highly promising in future development of polymeric optical and photoactive materials driven by halogen bonding

Surface segregation of conformationally asymmetric polymer blends

We have generalized the Edwards' method of collective description of dense polymer systems in terms of effective potentials to polymer blends in the presence of a surface. With this method we have studied conformationally asymmetric athermic polymer blends in the presence of a hard wall to the first order in effective potentials. For polymers with the same gyration radius $R_g$ but different statistical segment lengths $l_{A}$ and $l_{B}$ the excess concentration of stiffer polymers at the surface is derived as % \delta \rho _{A}(z=0)\sim (l_{B}^{-2}-l_{A}^{-2}){\ln (}R_{g}^{2}/l_{c}^{2}{)%}, where $l_{c}$ is a local length below of which the incompressibility of the polymer blend is violated. For polymer blends differing only in degrees of polymerization the shorter polymer enriches the wall.Comment: 11 pages, 7 figures, revtex

High energy protons from PKS 1333-33

In this letter we give an account of the possible acceleration of protons in the outer radio lobes of the active galaxy PKS 1333-33. We also make estimates of the arrival energy spectrum.Comment: 3 pages revtex, two figures, to appear in Mod. Phys. Lett.