Weak violation of universality for polyelectrolyte chains: Variational theory and simulations

A variational approach is considered to calculate the free energy and the conformational properties of a polyelectrolyte chain in d dimensions. We consider in detail the case of pure Coulombic interactions between the monomers, when screening is not present, in order to compute the end-to-end distance and the asymptotic properties of the chain as a function of the polymer chain length N. We find R≃N ^ν(log N)^γ, where ν = and λ is the exponent which characterizes the long-range interaction U∝ 1/r ^λ. The exponent γ is shown to be non-universal, depending on the strength of the Coulomb interaction. We check our findings by a direct numerical minimization of the variational energy for chains of increasing size 2⁴ < N < 2¹⁵. The electrostatic blob picture, expected for small enough values of the interaction strength, is quantitatively described by the variational approach. We perform a Monte Carlo simulation for chains of length 2⁴ < N < 2¹⁰. The non-universal behavior of the exponent γ previously derived within the variational method is also confirmed by the simulation results. Non-universal behavior is found for a polyelectrolyte chain in d = 3 dimension. Particular attention is devoted to the homopolymer chain problem, when short-range contact interactions are present. Received 8 August 2000 and Received in final form 19 December 2000     

Equilibrium charge distribution on annealed polyelectrolytes

Monte Carlo simulations are used to study the non-uniform equilibrium charge distribution along a single annealed polyelectrolyte chain under θ solvent conditions and with added salt. Within a range of the order of the Debye length charge accumulates at chain ends while a slight charge depletion appears in the central part of the chain. The simulation results are compared with theoretical predictions recently given by Castelnovo et al. In the parameter range where the theory can be applied we find almost perfect quantitative agreement. Received 7 March 2002 and Received in final form 28 May 2002     

Drift of a polymer chain in a porous medium --A Monte Carlo study

We investigate the drift of an end-labeled telehelic polymer chain in a frozen disordered medium under the action of a constant force applied to the one end of the macromolecule by means of an off-lattice bead spring Monte Carlo model. The length of the polymers N is varied in the range 8 < N < 128, and the obstacle concentration in the medium C is varied from zero up to the percolation threshold C≈ 0.75. For field intensities below a C-dependent critical field strength B _c, where jamming effects become dominant, we find that the conformational properties of the drifting chains can be interpreted as described by a scaling theory based on Pincus blobs. The variation of drag velocity with C in this interval of field intensities is qualitatively described by the law of Mackie-Meares. The threshold field intensity B _c itself is found to decrease linearly with C. Received 20 August 2001 and Received in final form 19 November 2001     

The electrostatic persistence length of polymers beyond the OSF limit

We use large-scale Monte Carlo simulations to test scaling theories for the electrostatic persistence length l _e of isolated, uniformly charged polymers with Debye-Hückel intrachain interactions in the limit where the screening length κ^-1 exceeds the intrinsic persistence length of the chains. Our simulations cover a significantly larger part of the parameter space than previous studies. We observe no significant deviations from the prediction l _e∝κ^-2 by Khokhlov and Khachaturian which is based on applying the Odijk-Skolnick-Fixman theories of electrostatic bending rigidity and electrostatically excluded volume to the stretched de Gennes-Pincus-Velasco-Brochard polyelectrolyte blob chain. A linear or sublinear dependence of the persistence length on the screening length can be ruled out. We show that previous results pointing into this direction are due to a combination of excluded-volume and finite chain length effects. The paper emphasizes the role of scaling arguments in the development of useful representations for experimental and simulation data. Received 12 February 2002     

Polymer chain in a quenched random medium: slow dynamics and ergodicity breaking

The Langevin dynamics of a self-interacting chain embedded in a quenched random medium is investigated by making use of the generating functional method and one-loop (Hartree) approximation. We have shown how this intrinsic disorder causes different dynamical regimes. Namely, within the Rouse characteristic time interval the anomalous diffusion shows up. The corresponding subdiffusional dynamical exponents have been explicitly calculated and thoroughly discussed. For the larger time interval the disorder drives the center of mass of the chain to a trap or frozen state provided that the Harris parameter, (Δ/b ^d)N ^{2 - νd}≥1, where Δ is a disorder strength, b is a Kuhnian segment length, N is a chain length and ν is the Flory exponent. We have derived the general equation for the non-ergodicity function f (p) which characterizes the amplitude of frozen Rouse modes with an index p = 2πj/N. The numerical solution of this equation has been implemented and shown that the different Rouse modes freeze up at the same critical disorder strength Δ _c ∼ N ^{- γ} where the exponent γ ≈ 0.25 and does not depend from the solvent quality. Received 17 December 2002 Published online 23 May 2003 RID="a" ID="a"e-mail: vilgis@mpip-mainz.mpg.de     

Incommensurate modulated magnetic structure in orthorhombic EuPdSb

Orthorhombic EuPdSb is known to undergo two magnetic transitions, at 12 K and at T _N≃ 18 K, and in phase III (T < 12 K), single crystal magnetisation data have shown that the spin structure is collinear antiferromagnetic, with magnetic moments along the crystal a axis. From a ¹⁵¹Eu M?ssbauer absorption study, we show that, at any temperature within phase III, all the moments have equal sizes, and that in phase II (12 K< T <18 K) the magnetic structure is modulated and incommensurate with the lattice spacings. The modulation is close to a pure sine-wave just below T _N = 18 K, and it squares up as temperature is lowered. We measured the thermal variations of the first and third harmonics of the moment modulation, and we could determine the first and third harmonics of the exchange coupling. We furthermore show that the antiferromagnetic-incommensurate transition at 12 K is strongly first order, with a hysteresis of 0.05 K, and that the incommensurate-paramagnetic transition at 18 K is weakly first order. Finally, we present an explanation of the spin-flop transition observed in the single crystal magnetisation data in phase III when || in terms of an anisotropic molecular field tensor. Received 17 January 2001 and Received in final form 20 March 2001     

Anomalous viscosity exponent in a discretized model for a chain diffusion in one dimension

We present a one-dimensional Monte Carlo simulation for the diffusion motion of a chain of N beads. We found that the scaling exponent for the viscosity can be smaller or greater than 3. This anomalous behavior cannot be attributed to the diffusivity scaling or the length fluctuations but is due to the chain dynamics details during diffusion in which the end beads play the key role. The viscosity exponent 3 and its expected relation with the diffusivity exponent are recovered in the asymptotic regime (N ↦∞). Received 24 September 2001 and Received in final form 28 January 2002     

Dynamic light scattering and <Superscript>31</Superscript>P NMR spectroscopy study of the self-assembly of deoxyguanosine 5'-monophosphate

Self-assembling properties of deoxyguanosine 5'-monophosphate in isotropic solutions of concentrations from 0.5 wt% to 15 wt% were investigated by dynamic light scattering (DLS) and ³¹P NMR spectroscopy. A slow diffusive mode with a diffusion coefficient D _slow∼ 10^-12 m²/s was detected by DLS for the whole concentration range. This mode is assigned to the translational motion of large globular aggregates, similar to those observed in DNA and other polyelectrolyte solutions. The existence of such aggregates was confirmed by freeze fracture electron microscopy. Close to the isotropic-cholesteric phase transition, at 4 wt% c 10 wt%, also a faster diffusive mode is observed in the polarized DLS response and a very fast mode is detected by depolarized DLS. These modes are related to translational and rotational diffusion of the columnar stacks of guanosine molecules, which are favorably formed in the relatively narrow pretransitional region. The stacking was also revealed from the appearance of a secondary resonance line in the ³¹P NMR spectra. Using the hydrodynamic theory of Tirado and Garcia de la Torre, the length of the cylindrical stacks was found to be L = 364±78 ?, which is significantly larger than the values reported for other guanosine derivatives. Received 13 July 2001 and Received in final form 17 October 2001     

Necessity of extra repulsion in hypernuclear systems: Suggestion from neutron stars

Neutron star models with hyperon-mixed core are studied by a realistic approach to use the YN and the YY interactions consistent with hypernuclear data. From the compatibility of the theoretical maximum mass with the observed neutron star mass 1.44 M _⊙ of PSR1913+16, the necessity of some extra repulsion in hypernuclear systems, e.g., a repulsion from three-body force, is stressed. It is noted that the increase of baryon degrees of freedom to avoid the short-range repulsion effectively is an essential mechanism causing the Y-mixed phase. Received: 1 May 2001 / Accepted: 4 December 2001     

First observation of excited states in 184Pb: spectroscopy beyond the neutron mid-shell

Excited states have been identified for the first time in ¹⁸⁴Pb, the first even-even Pb isotope beyond the 82 < N < 126 mid-shell, using the recoil-decay tagging (RDT) technique. A collective band built on the first-excited 2⁺ state has been observed. This resembles those seen in ^186,188Pb and the Hg isotones, and can thus be associated with a prolate-deformed shape. Variable moment of inertia (VMI) fits of the prolate 0⁺ level energies in ^184,186,188Pb indicate that the minimum appears at N= 103, the same neutron number at which the corresponding minimum in Hg isotopes is observed. Received: 19 May 1998 / Revised version: 1 July 1998     

Adsorption of hydrophobic polyelectrolytes onto oppositely charged surfaces

We present a scaling theory for the adsorption of a weakly charged polyelectrolyte chain in a poor solvent onto an oppositely charged surface. Depending on the fraction of charged monomers and on the solvent quality for uncharged monomers, the globule in the bulk of the solution has either a spherical conformation or a necklace structure. At sufficiently high surface charge density, a chain in the globular conformation adsorbs in a flat pancake conformation due to the Coulombic attraction to the oppositely charged surface. Different adsorption regimes are predicted depending on two screening lengths (the Debye screening length monitored by the salt concentration and the Gouy-Chapman length monitored by the surface charge density), on the degree of ionization of the polymer and on the solvent strength. At low bulk ionic strength, an increase in the surface charge density may induce a transition from an adsorbed necklace structure to a uniform pancake due to the enhanced screening of the intra-chain Coulombic repulsion by the counterions localized near the surface. Received 12 April 2001     

Study of N*(1440) from J/Ψ decays

For J/Ψ↦ pπ⁰ and pπ⁺π^-, the π⁰ p and pπ⁺π^- systems are limited to be pure isospin-(1/2) due to isospin conservation. This is a big advantage in studying N^* resonances from J/Ψ decays, compared with πN and γN experiments. The process J/Ψ↦ N ^* or p provides a new way to probe the internal structure of the N^* resonances. Here we report a quark model calculation for J/Ψ↦ p, N ^*(1440) and N ^*. The implication for the internal structure of N ^*(1440) is discussed. Received: 1 June 2001 / Accepted: 20 June 2001     

Spectroscopy on very neutron-rich nuclei beyond N = 20

Recent studies on nuclear structure by using radioactive isotope beams available at the RIKEN projectile-fragment separator (RIPS) are introduced. Special emphasis is given to two selected experiments from recent programs that highlight studies on the magicity loss observed for very neutron-rich nuclei beyond N = 20 in the “island-of-inversion” region; the particle stability of ³¹F, and the low-lying excited states of ³⁴Mg. Received: 1 May 2001 / Accepted: 4 December 2001     

Andreev-Lifshitz supersolid revisited for a few electrons on a square lattice. I

In 1969, Andreev and Lifshitz have conjectured the existence of a supersolid phase taking place at zero temperature between the quantum liquid and the solid. In this and a succeeding paper, we re-visit this issue for a few polarized electrons (spinless fermions) interacting via a U/r Coulomb repulsion on a two dimensional L×L square lattice with periodic boundary conditions and nearest neighbor hopping t. This paper is restricted to the magic number of particles N = 4 for which a square Wigner molecule is formed when U increases and to the size L = 6 suitable for exact numerical diagonalizations. When the Coulomb energy to kinetic energy ratio r _s = UL/(2t ) reaches a value r _s ^F ≈ 10, there is a level crossing between ground states of different momenta. Above r _s ^F, the mesoscopic crystallization proceeds through an intermediate regime ( r _s ^F < r _s < r _s ^W ≈ 28) where unpaired fermions with a reduced Fermi energy co-exist with a strongly paired, nearly solid assembly. We suggest that this is the mesoscopic trace of the supersolid proposed by Andreev and Lifshitz. When a random substrate is included, the level crossing at r _s ^F is avoided and gives rise to a lower threshold r _s ^F(W) < r _s ^F where two usual approximations break down: the Wigner surmise for the distribution of the first energy excitation and the Hartree-Fock approximation for the ground state. Received 21 June 2002 Published online 14 February 2003 RID="a" ID="a"e-mail: jpichard@cea.fr     

Inelastic scattering on 12Be and disappearance of the N = 8 magic number

Experimental studies on in-beam γ-ray spectroscopy using a ¹²Be radioactive beam are presented. Inelastic scattering of the neutron-rich ¹²Be nucleus on ²⁰⁸Pb, ¹²C, and (CH₂)_n targets has been studied by measuring de-excitation γ-rays in coincidence with scattered particles. The level schemes and transition probabilities are determined for low-lying excited states in ¹²Be. The present paper presents a brief review of the spectroscopic results, which may be associated with the N = 8 shell quenching near the drip line. Received: 1 May 2001 / Accepted: 4 December 2001     

Yrast level structure of the neutron-deficient N = 80 isotones 146Dy, 147Ho and 148Er up to high-spin values

High-spin level schemes of the N = 80 isotones ¹⁴⁶Dy, ¹⁴⁷Ho and ¹⁴⁸Er have been investigated by in-beam γ-ray spectroscopic methods using the NORDBALL Compton-suppressed multidetector array including proton and neutron selection. The projectile-target system ⁵⁸Ni + ⁹²Mo at 260 MeV beam energy has been used to produce the neutron-deficient N = 80 isotones. The previously known schemes have been extended to considerably higher spin and exitation energy, up to I = 23?, E _x≈ 8.9 MeV in ¹⁴⁶Dy, I = 53/2?, E _x≈ 8.7 MeV in ¹⁴⁷Ho and I = 23?, E _x≈ 9.6 MeV in ¹⁴⁸Er. The results are discussed in terms of the spherical shell model. Many of the levels can be described within this framework. Received: 12 January 2001 / Accepted: 11 April 2001     

Studying the ω mass in-medium in γ + A →π0γ + X reactions

Simulations based on a coupled-channel transport model have been performed to analyze the feasibility to study the in-medium ω mass exploiting the process γ + A→π⁰γ + X for C, Ca and Nb nuclei. The distortions due to final-state interactions of the π⁰ and background contributions from the reaction γ + A→π⁰π⁰ + X are found to be small in the mass range of interest ( 0.6 < M _π0γ < 0.8 GeV). Furthermore, the effect of the detector resolution on the π⁰γ mass determination is discussed. Received: 5 December 2000 / Accepted: 18 May 2001     

Nuclear structure in the vicinity of the N = Z line in the A = 90-100 region

Neutron-deficient nuclei in the mass region A≈ 90-100 exhibit a large variety of phenomena. In this region the heaviest N = Z nuclei are identified and enhanced neutron-proton correlations are expected when protons and neutrons occupy identical orbitals. A variety of nuclear shapes are predicted and observed for A? 91, including superdeformed shapes. The nucleus ¹⁰⁰Sn is the heaviest N = Z doubly magic nucleus believed to be bound. Knowledge of the shell structure around ¹⁰⁰Sn is of utmost importance for understanding the nuclear shell model. New results on both the N = Z nucleus ⁸⁸Ru, superdeformed structures in A≈ 90 nuclei as well as the first result on the level structure in ¹⁰³Sn, and an extended level structure in ¹⁰²In are presented. The limitations of using stable beams and targets and the possibilities with new radioactive beams are briefly outlined. Received: 1 May 2001 / Accepted: 4 December 2001     

Glassy effects in the swelling/collapse dynamics of homogeneous polymers

We investigate, using numerical simulations and analytical arguments, a simple one-dimensional model for the swelling or the collapse of a closed polymer chain of size N, representing the dynamical evolution of a polymer in a Θ-solvent that is rapidly changed into a good solvent (swelling) or a bad solvent (collapse). In the case of swelling, the density profile for intermediate times is parabolic and expands in space as t ^1/3, as predicted by a Flory-like continuum theory. The dynamics slows down after a time ∝N ² when the chain becomes stretched, and the polymer gets stuck in metastable “zig-zag” configurations, from which it escapes through thermal activation. The size of the polymer in the final stages is found to grow as . In the case of collapse, the chain very quickly (after a time of order unity) breaks up into clusters of monomers (“pearls”). The evolution of the chain then proceeds through a slow growth of the size of these metastable clusters, again evolving as the logarithm of time. We enumerate the total number of metastable states as a function of the extension of the chain, and deduce from this computation that the radius of the chain should decrease as 1/ln(ln t). We compute the total number of metastable states with a given value of the energy, and find that the complexity is non-zero for arbitrary low energies. We also obtain the distribution of cluster sizes, that we compare to simple “cut-in-two” coalescence models. Finally, we determine the aging properties of the dynamical structure. The subaging behaviour that we find is attributed to the tail of the distribution at small cluster sizes, corresponding to anomalously “fast” clusters (as compared to the average). We argue that this mechanism for subaging might hold in other slowly coarsening systems. Received 23 October 2000     

Steps and facets at the surface of soft crystals

We consider the shape of crystals which are soft in the sense that their elastic modulus μ is small compared to their surface tension γ, more precisely μa < γ where a is the lattice spacing. We show that their surface steps penetrate inside the crystal as edge dislocations. As a consequence, these steps are broad with a small energy which we calculate. We also calculate the elastic interaction between steps a distance d apart, which is a 1/d ² repulsion. We finally calculate the roughening temperatures of successive facets in order to compare with the remarkable shapes of lyotropic crystals recently observed by Pieranski et al. [#!Pieranski!#,#!EPJ!#]. Good agreement is found. Received 25 June 2001