Distance dependence of angular correlations in dense polymer solutions

Angular correlations in dense solutions and melts of flexible polymer chains are investigated with respect to the distance $r$ between the bonds by comparing quantitative predictions of perturbation calculations with numerical data obtained by Monte Carlo simulation of the bond-fluctuation model. We consider both monodisperse systems and grand-canonical (Flory-distributed) equilibrium polymers. Density effects are discussed as well as finite chain length corrections. The intrachain bond-bond correlation function $P(r)$ is shown to decay as $P(r) \sim 1/r^3$ for \xi \ll r \ll \r^* with $\xi$ being the screening length of the density fluctuations and $r^* \sim N^{1/3}$ a novel length scale increasing slowly with (mean) chain length $N$.Comment: 17 pages, 5 figures, accepted for publication at Macromolecule

Formation and Equilibrium Properties of Living Polymer Brushes

Polydisperse brushes obtained by reversible radical chain polymerization reaction onto a solid substrate with surface-attached initiators, are studied by means of an off-lattice Monte Carlo algorithm of living polymers (LP). Various properties of such brushes, like the average chain length and the conformational orientation of the polymers, or the force exerted by the brush on the opposite container wall, reveal power-law dependence on the relevant parameters. The observed molecular weight distribution (MWD) of the grafted LP decays much more slowly than the corresponding LP bulk system due to the gradient of the monomer density within the dense pseudo-brush which favors longer chains. Both MWD and the density profiles of grafted polymers and chain ends are well fitted by effective power laws whereby the different exponents turn out to be mutually self-consistent for a pseudo-brush in the strong-stretching regime.Comment: 33 pages, 11 figues, J.Chem. Phys. accepted Oct. 199

Dynamical Monte Carlo Study of Equilibrium Polymers : Static Properties

We report results of extensive Dynamical Monte Carlo investigations on self-assembled Equilibrium Polymers (EP) without loops in good solvent. (This is thought to provide a good model of giant surfactant micelles.) Using a novel algorithm we are able to describe efficiently both static and dynamic properties of systems in which the mean chain length \Lav is effectively comparable to that of laboratory experiments (up to 5000 monomers, even at high polymer densities). We sample up to scission energies of $E/k_BT=15$ over nearly three orders of magnitude in monomer density $\phi$, and present a detailed crossover study ranging from swollen EP chains in the dilute regime up to dense molten systems. Confirming recent theoretical predictions, the mean-chain length is found to scale as \Lav \propto \phi^\alpha \exp(\delta E) where the exponents approach $\alpha_d=\delta_d=1/(1+\gamma) \approx 0.46$ and $\alpha_s = 1/2 [1+(\gamma-1)/(\nu d -1)] \approx 0.6, \delta_s=1/2$ in the dilute and semidilute limits respectively. The chain length distribution is qualitatively well described in the dilute limit by the Schulz-Zimm distribution \cN(s)\approx s^{\gamma-1} \exp(-s) where the scaling variable is s=\gamma L/\Lav. The very large size of these simulations allows also an accurate determination of the self-avoiding walk susceptibility exponent $\gamma \approx 1.165 \pm 0.01$. ....... Finite-size effects are discussed in detail.Comment: 15 pages, 14 figures, LATE

Models of stress fluctuations in granular media

We investigate in detail two models describing how stresses propagate and fluctuate in granular media. The first one is a scalar model where only the vertical component of the stress tensor is considered. In the continuum limit, this model is equivalent to a diffusion equation (where the r\^ole of time is played by the vertical coordinate) plus a randomly varying convection term. We calculate the response and correlation function of this model, and discuss several properties, in particular related to the stress distribution function. We then turn to the tensorial model, where the basic starting point is a wave equation which, in the absence of disorder, leads to a ray-like propagation of stress. In the presence of disorder, the rays acquire a diffusive width and the angle of propagation is shifted. A striking feature is that the response function becomes negative, which suggests that the contact network is mechanically unstable to very weak perturbations. The stress correlation function reveals characteristic features related to the ray-like propagation, which are absent in the scalar description. Our analytical calculations are confirmed and extended by a numerical analysis of the stochastic wave equation.Comment: 32 pages, latex, 18 figures and 6 diagram

Flow structure generated by perpendicular blade-vortex interaction and implications for helicopter noise prediction. Volume 1: Measurements

The perpendicular interaction of a streamwise vortex with an infinite span helicopter blade was modeled experimentally in incompressible flow. Three-component velocity and turbulence measurements were made using a sub-miniature four sensor hot-wire probe. Vortex core parameters (radius, peak tangential velocity, circulation, and centerline axial velocity deficit) were determined as functions of blade-vortex separation, streamwise position, blade angle of attack, vortex strength, and vortex size. The downstream development of the flow shows that the interaction of the vortex with the blade wake is the primary cause of the changes in the core parameters. The blade sheds negative vorticity into its wake as a result of the induced angle of attack generated by the passing vortex. Instability in the vortex core due to its interaction with this negative vorticity region appears to be the catalyst for the magnification of the size and intensity of the turbulent flowfield downstream of the interaction. In general, the core radius increases while peak tangential velocity decreases with the effect being greater for smaller separations. These effects are largely independent of blade angle of attack; and if these parameters are normalized on their undisturbed values, then the effects of the vortex strength appear much weaker. Two theoretical models were developed to aid in extending the results to other flow conditions. An empirical model was developed for core parameter prediction which has some rudimentary physical basis, implying usefulness beyond a simple curve fit. An inviscid flow model was also created to estimate the vorticity shed by the interaction blade, and to predict the early stages of its incorporation into the interacting vortex

Scale-free static and dynamical correlations in melts of monodisperse and Flory-distributed homopolymers: A review of recent bond-fluctuation model studies

It has been assumed until very recently that all long-range correlations are screened in three-dimensional melts of linear homopolymers on distances beyond the correlation length $\xi$ characterizing the decay of the density fluctuations. Summarizing simulation results obtained by means of a variant of the bond-fluctuation model with finite monomer excluded volume interactions and topology violating local and global Monte Carlo moves, we show that due to an interplay of the chain connectivity and the incompressibility constraint, both static and dynamical correlations arise on distances $r \gg \xi$. These correlations are scale-free and, surprisingly, do not depend explicitly on the compressibility of the solution. Both monodisperse and (essentially) Flory-distributed equilibrium polymers are considered.Comment: 60 pages, 49 figure

Inhomogeneous elastic response of silica glass

Using large scale molecular dynamics simulations we investigate the properties of the {\em non-affine} displacement field induced by macroscopic uniaxial deformation of amorphous silica,a strong glass according to Angell's classification. We demonstrate the existence of a length scale $\xi$ characterizing the correlations of this field (corresponding to a volume of about 1000 atoms), and compare its structure to the one observed in a standard fragile model glass. The "Boson-peak'' anomaly of the density of states can be traced back in both cases to elastic inhomogeneities on wavelengths smaller than $\xi$, where classical continuum elasticity becomes simply unapplicable

Studies of the nonlinear dynamics effects of APPLE-II type EPUs at the ALS

Elliptically Polarizing Undulators (EPUs) have become more and more popular at synchrotron radiation sources, providing full polarization control of the photon beam. The fields of the most commonly used APPLE-II type EPUs have a very fast, intrinsic field roll-off, creating significant non-linearities of the beam motion with in some cases large impact on the dynamic (momentum) aperture. In general, the nonlinear effects get stronger with longer periods and higher undulator magnetic fields. One of the planned future beamlines at the ALS (MERLIN) will use a quasiperiodic EPU with 9 cm period and maximum B fields of about 1.3 T. We will present simulation studies for the proposed shimming schemes for this future device to reduce the nonlinear effects to acceptable values, as well as experimental studies for the existing 5 cm period EPUs already installed in the ALS

Statistical Mechanics of Stress Transmission in Disordered Granular Arrays

We give a statistical-mechanical theory of stress transmission in disordered arrays of rigid grains with perfect friction. Starting from the equations of microscopic force and torque balance we derive the fundamental equations of stress equilibrium. We illustrate the validity of our approach by solving the stress distribution of a homogeneous and isotropic array.Comment: 4 pages, to be published in PR

Development of Stresses in Cohesionless Poured Sand

The pressure distribution beneath a conical sandpile, created by pouring sand from a point source onto a rough rigid support, shows a pronounced minimum below the apex (`the dip'). Recent work of the authors has attempted to explain this phenomenon by invoking local rules for stress propagation that depend on the local geometry, and hence on the construction history, of the medium. We discuss the fundamental difference between such approaches, which lead to hyperbolic differential equations, and elastoplastic models, for which the equations are elliptic within any elastic zones present .... This displacement field appears to be either ill-defined, or defined relative to a reference state whose physical existence is in doubt. Insofar as their predictions depend on physical factors unknown and outside experimental control, such elastoplastic models predict that the observations should be intrinsically irreproducible .... Our hyperbolic models are based instead on a physical picture of the material, in which (a) the load is supported by a skeletal network of force chains ("stress paths") whose geometry depends on construction history; (b) this network is `fragile' or marginally stable, in a sense that we define. .... We point out that our hyperbolic models can nonetheless be reconciled with elastoplastic ideas by taking the limit of an extremely anisotropic yield condition.Comment: 25 pages, latex RS.tex with rspublic.sty, 7 figures in Rsfig.ps. Philosophical Transactions A, Royal Society, submitted 02/9