Electrostatically Induced Bundle Formation of Rodlike Polyelectrolytes: Comparison of Predictions from Monte Carlo Simulations with Experiments on Fd And M13 Virus Particles.

1997 ◽  
Vol 489 ◽  
Author(s):  
Lars Nordenskiöld ◽  
Alexander Lyubartsev ◽  
Jay X. Tang ◽  
Paul A. Janmey
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Charge Density ◽  
Surface Charge Density ◽  
Theoretical Calculations ◽  
Electrostatic Force ◽  
Axial Charge ◽  
Virus Particles ◽  
M13 Virus ◽  
Good Agreement

AbstractThis work compares the electrostatic bundling of two Inovirus particles: fd and M13, that are structurally identical except that the effective axial charge density of M 13 is approximately 30% lower than that of fd. The electrostatic force (or osmotic pressure) between these ordered biopolyelectrolytes, as a function of inter-rod separation, has been calculated with Monte Carlo simulations. Comparison is made with experiments on the bundling of fd and M 13 caused by divalent ions, as detected by light scattering. In the theoretical calculations, the bundling results from electrostatic attraction between the neighbouring polyelectrolytes, caused by the correlated interactions between the ion clouds. The importance of this effect (i. e. capacity to induce bundling) is governed by surface charge density of the polyelectrolyte, amount of multivalent ion present, charge and size of the hydrated multivalent ion. These predictions are in very good agreement with the presented experimental results on bundling of fd and M 13 caused by Ca2+ and Mg2+

scholarly journals Universal dependence of the total number albedo of photons on the mean number of photon scatterings

2011 ◽  
Vol 26 (3) ◽  
pp. 249-253 ◽  
Author(s):  
Vladan Ljubenov ◽  
Rodoljub Simovic
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Analytic Functions ◽  
Least Squares Method ◽  
Mcnp Code ◽  
Initial Photon ◽  
Aluminum Iron ◽  
Universal Dependence ◽  
The Mean ◽  
Good Agreement

This paper presents the results of research on photon reflection from plane targets based on Monte Carlo simulations performed by the MCNP code. Five materials (water, concrete, aluminum, iron, and copper) are examined in the area of initial photon energies of up to 200 keV. The values of the total number albedo for photons dependent on the initial photon energy or the mean number of photon scatterings are calculated and graphically presented. We have shown that the values of the total number albedo for different target materials, expressed as a function of the mean number of photon scatterings, are in good agreement with each other and can be approximated by simple, universal analytic functions obtained by the least squares method. The accuracy of these analytic appoximations is confirmed by their comparison with the results of PENELOPE and FOTELP Monte Carlo codes.

scholarly journals Monte Carlo simulations of two-component drop growth by stochastic coalescence

2008 ◽  
Vol 8 (2) ◽  
pp. 7289-7313 ◽  
Author(s):  
L. Alfonso ◽  
G. B. Raga ◽  
D. Baumgardner
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Stochastic Algorithm ◽  
Aerosol Composition ◽  
Particle Charging ◽  
Two Component ◽  
Different Types ◽  
Framework Species ◽  
Stochastic Coalescence ◽  
Good Agreement

Abstract. The evolution of two-dimensional drop distributions is simulated in this study using a Monte Carlo method.~The stochastic algorithm of Gillespie (1976) for chemical reactions in the formulation proposed by Laurenzi et al. (2002) was used to simulate the kinetic behavior of the drop population. Within this framework species are defined as droplets of specific size and aerosol composition. The performance of the algorithm was checked by comparing the numerical with the analytical solutions found by Lushnikov (1975). Very good agreement was observed between the Monte Carlo simulations and the analytical solution. Simulation results are presented for bi-variate constant and hydrodynamic kernels. The algorithm can be easily extended to incorporate various properties of clouds such as including several crystal habits, different types of soluble CCN, particle charging and drop breakup.

Non-Equilibrium Critical Relaxation of Heisenberg Ferromagnets with Long-Range Correlated Defects

2012 ◽  
Vol 190 ◽  
pp. 39-42
Author(s):  
M. Medvedeva ◽  
Pavel V. Prudnikov
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Critical Behavior ◽  
Critical Exponents ◽  
Heisenberg Model ◽  
Three Dimensional ◽  
Initial State ◽  
Short Time ◽  
Theoretic Description ◽  
Good Agreement

The dynamic critical behavior of the three-dimensional Heisenberg model with longrangecorrelated disorder was studied by using short-time Monte Carlo simulations at criticality.The static and dynamic critical exponents are determined. The simulation was performed fromordered initial state. The obtained values of the exponents are in a good agreement with resultsof the field-theoretic description of the critical behavior of this model in the two-loopapproximation.

On the Estimation of the Kurtosis in Directional Sea States for Freak Wave Forecasting

2011 ◽  
Vol 41 (8) ◽  
pp. 1484-1497 ◽  
Author(s):  
Nobuhito Mori ◽  
Miguel Onorato ◽  
Peter A. E. M. Janssen
Keyword(s):  
Monte Carlo ◽  
Energy Distribution ◽  
Monte Carlo Simulations ◽  
Initial Conditions ◽  
Laboratory Data ◽  
Dispersion Effect ◽  
Freak Wave ◽  
Wave Forecasting ◽  
Directional Sea States ◽  
Good Agreement

Abstract Based on Monte Carlo simulations of the nonlinear Schrödinger equation in two horizontal dimensions, the dependence of the kurtosis on the directional energy distribution of the initial conditions is examined. The parametric survey is carried out to obtain the behavior of the kurtosis as function of the Benjamin–Feir index and directional spread in directional sea states. As directional dispersion effect becomes significant, the kurtosis monotonically decreases in comparison with the unidirectional waves. A parameterization of the kurtosis estimated from directional spectra is proposed here; the error of the parameterization is at most 10%. The parameterization is verified against laboratory data, and good agreement is obtained.

scholarly journals Effective Thermal Conductivity of Spherical Particulate Nanocomposites: Comparison with Theoretical Models, Monte Carlo Simulations and Experiments

2014 ◽  
Vol 13 (03) ◽  
pp. 1450022 ◽  
Author(s):  
Hatim Machrafi ◽  
Georgy Lebon
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Theoretical Models ◽  
Irreversible Thermodynamics ◽  
Flux Vector ◽  
Heat Flux Vector ◽  
The Matrix ◽  
The Status ◽  
Independent Variable ◽  
Good Agreement

The purpose of this work is to study heat conduction in systems that are composed out of spherical micro-and nanoparticles dispersed in a bulk matrix. Special emphasis will be put on the dependence of the effective heat conductivity on various selected parameters as dimension and density of particles, interface interaction with the matrix. This is achieved by combining the effective medium approximation and extended irreversible thermodynamics, whose main feature is to elevate the heat flux vector to the status of independent variable. The model is illustrated by three examples: Silicium-Germanium, Silica-epoxy-resin and Copper-Silicium systems. Predictions of our model are in good agreement with other theoretical models, Monte-Carlo simulations and experimental data.

KINETIC ROUGHENING AND INTERACTING REACTING SPECIES: NONLINEAR ASPECTS

Fractals ◽  
1993 ◽  
Vol 01 (03) ◽  
pp. 470-474 ◽  
Author(s):  
I.M. SOKOLOV ◽  
P. ARGYRAKIS ◽  
A. BLUMEN
Keyword(s):  
Monte Carlo ◽  
Theoretical Analysis ◽  
Diffusion Process ◽  
Monte Carlo Simulations ◽  
Short Range ◽  
Reaction Diffusion ◽  
Kinetic Roughening ◽  
Constant Rate ◽  
Good Agreement

We consider the A+B→0 reaction, in which particles interact through short-range forces. The analysis leads to expressions akin in form to those which describe kinetic roughening. In a situation in which particles are generated with a constant rate j0, their concentration n(t) grows as [Formula: see text] in d=1. Here the theoretical analysis predicts γ=1/5 and β=2/5, in very good agreement with direct Monte-Carlo simulations of the reaction-diffusion process.

Domain Images and Retention Properties of Pb(Zr,Ti)O3 Thin Films Observed by Electrostatic Force Microscopy

1999 ◽  
Vol 596 ◽  
Author(s):  
William Jo ◽  
D. C. Kim ◽  
J. W. Hong
Keyword(s):  
Thin Films ◽  
Charge Density ◽  
Surface Charge Density ◽  
Electrostatic Force ◽  
Electrostatic Force Microscopy ◽  
Retention Behavior ◽  
Charge Redistribution ◽  
Pzt Thin Films ◽  
Force Microscopy ◽  
Pzt Films

AbstractWe report results on domain retention in preferentially oriented Pb(Zr,Ti)O3 (PZT) thin films on Pt and on LaNiO3 (LNO) electrodes. Effects of bottom electrodes on domain images and retention properties have been explored by detecting an electrostatic force exerted on the biased conductive probe. It was demonstrated that polarization loss of PZT crystallites on LNO appears to be less than that of PZT grains on Pt. Moreover, charge retention was controlled by a reverse-poling protocol during electrostatic force microscopy (EFM) measurements. The surface charge density of the PZT films was observed as a function of time in a selected area where a region is single-poled and another region is reverse-poled. The retention behavior of the regions is very different; the single-poled region shows a declined response and the reverse-poled region reveals a retained characteristic. Decay and retention mechanisms are explained by space-charge redistribution and trapping of defects in the films.

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