Analytical Rescaling of Polymer Dynamics from Mesoscale Simulations

We present a theoretical approach to scale the artificially fast dynamics of simulated coarse-grained polymer liquids down to its realistic value. As coarse-graining affects entropy and dissipation, two factors enter the rescaling: inclusion of intramolecular vibrational degrees of freedom, and rescaling of the friction coefficient. Because our approach is analytical, it is general and transferable. Translational and rotational diffusion of unentangled and entangled polyethylene melts, predicted from mesoscale simulations of coarse-grained polymer melts using our rescaling procedure, are in quantitative agreement with united atom simulations and with experiments.Comment: 6 pages, 2 figures, 2 table

Variations of cosmic rays according to the data of interplanetary probes Zond-3 and Venus-2

Cosmic ray intensity variation measured by Zond 3 and Venus 2 interplanetary probe

On the Mathematical Simulation of the Measuring of the Intraocular Pressure by Maklakov Method

Maklakov’s method for measurement of the intraocular pressure (IOP) is based on approach, in which an eyeball is modeled as a thin-walled spherical liquid-filled shell. Measuring the IOP one estimates the diameter of the circular contact area of the cornea and the tonometer. In the clinic special tables are used to estimate the IOP relating to the measured diameter. However nowadays the calculating of such tables is based on the empirical values of the IOP. In the present paper the mathematical simulation of the measuring of the intraocular pressure by Maklakov method is considered

Capture of particles of dust by convective flow

Interaction of particles of dust with vortex convective flows is under theoretical consideration. It is assumed that the volume fraction of solid phase is small, variations of density due to nonuniform distribution of particles and those caused by temperature nonisothermality of medium are comparable. Equations for the description of thermal buoyancy convection of a dusty medium are developed in the framework of the generalized Boussinesq approximation taking into account finite velocity of particle sedimentation. The capture of a cloud of dust particles by a vortex convective flow is considered, general criterion for the formation of such a cloud is obtained. The peculiarities of a steady state in the form of a dust cloud and backward influence of the solid phase on the carrier flow are studied in detail for a vertical layer heated from the sidewalls. It is shown that in the case, when this backward influence is essential, a hysteresis behavior is possible. The stability analysis of the steady state is performed. It turns out that there is a narrow range of governing parameters, in which such a steady state is stable.Comment: 14 pages, 10 figures, published in Physics of Fluid

A First Principle Approach to Rescale the Dynamics of Simulated Coarse-Grained Macromolecular Liquids

We present a detailed derivation and testing of our approach to rescale the dynamics of mesoscale simulations of coarse-grained polymer melts (I. Y. Lyubimov et al. J. Chem. Phys. \textbf{132}, 11876, 2010). Starting from the first-principle Liouville equation and applying the Mori-Zwanzig projection operator technique, we derive the Generalized Langevin Equations (GLE) for the coarse-grained representations of the liquid. The chosen slow variables in the projection operators define the length scale of coarse graining. Each polymer is represented at two levels of coarse-graining: monomeric as a bead-and-spring model and molecular as a soft-colloid. In the long-time regime where the center-of-mass follows Brownian motion and the internal dynamics is completely relaxed, the two descriptions must be equivalent. By enforcing this formal relation we derive from the GLEs the analytical rescaling factors to be applied to dynamical data in the coarse-grained representation to recover the monomeric description. Change in entropy and change in friction are the two corrections to be accounted for to compensate the effects of coarse-graining on the polymer dynamics. The solution of the memory functions in the coarse-grained representations provides the dynamical rescaling of the friction coefficient. The calculation of the internal degrees of freedom provides the correction of the change in entropy due to coarse-graining. The resulting rescaling formalism is a function of the coarse-grained model and thermodynamic parameters of the system simulated. The rescaled dynamics obtained from mesoscale simulations of polyethylene, represented as soft colloidal particles, by applying our rescaling approach shows a good agreement with data of translational diffusion measured experimentally and from simulations. The proposed method is used to predict self-diffusion coefficients of new polyethylene samples.Comment: 21 pages, 6 figures, 6 tables. Submitted to Phys. Rev.

Analysis of vibration impact on stability of dewetting thin liquid film

Dynamics of a thin dewetting liquid film on a vertically oscillating substrate is considered. We assume moderate vibration frequency and large (compared to the mean film thickness) vibration amplitude. Using the lubrication approximation and the averaging method, we formulate the coupled sets of equations governing the pulsatile and the averaged fluid flows in the film, and then derive the nonlinear amplitude equation for the averaged film thickness. We show that there exists a window in the frequency-amplitude domain where the parametric and shear-flow instabilities of the pulsatile flow do not emerge. As a consequence, in this window the averaged description is reasonable and the amplitude equation holds. The linear and nonlinear analyses of the amplitude equation and the numerical computations show that such vibration stabilizes the film against dewetting and rupture.Comment: 19 pages, 11 figure

Dark matter and structure formation a review

This paper provides a review of the variants of dark matter which are thought to be fundamental components of the universe and their role in origin and evolution of structures and some new original results concerning improvements to the spherical collapse model. In particular, I show how the spherical collapse model is modified when we take into account dynamical friction and tidal torques