Search

In this work, the short-time dynamics of simple liquid is explored both analytically and numerically with the focus on the interplay between the density fluctuations in a volume surrounding a chosen particle and its random walk motion. The particles interact via the Lennard-Jones potential with parameters corresponding to liquid argon. For large times, analytical calculations based on the fluctuation theory provides an explicit expression reproducing isothermal change of the self-diffusion coefficient in liquid argon corresponding to the experimental data. These results lead to the conclusion that such behavior is based on the reduced mobility of particles reflected in their density fluctuations that can be equivalently achieved in the cases of either low temperatures and pressures (supercooling) or moderate temperatures and high pressures (overdamping)., Comment: 9 pages; 4 figures

We propose an approach to analysing single trajectories of a particle, which moves randomly on a landscape distinct parts of which result in sufficiently various diffusion coefficients. The method based on the mapping the cumulative sum of step-wise elementary displacement squared into a complex oscillating functions with the subsequent continuous wavelet analysis of the later allows the localisation of relatively homogeneous sub-regions and determining values of the diffusion coefficient within each such sub-region. This approach is applied to demonstrable test examples as well as to the reconstruction of the biological membrane's properties from the real data of single molecule walk tracing., Comment: 12 pages, 4 figures

Using classical molecular dynamics simulations, we investigate the mobility of ions in [Bmim][TFSI], a typical room temperature ionic liquid. Analyzing the trajectories of individual cations and anions, we estimate the time that ions spend in bound, clustered states, and when the ions move quasi-freely. Using this information, we evaluate the average portion of free ions that dominate conductivity. The amount of thus defined free ions comprises 15-25%, monotonically increasing with temperature in the range of 300-600 K, with the rest of the ions being temporarily bound, moving rather in local potentials. The conductivities as a function of temperature, calculated from electric current autocorrelation functions, reproduce reported experimental data well. Interestingly, for free ions the Nernst-Einstein relationship between the mobility and diffusion coefficient holds fairly well. In analogy with electronic semiconductors, one can speak about an ionic semiconductor model for ionic liquids with valence (or excitonic) and conduction band states for ions, separated by an energy gap. The obtained band gap for the ionic liquid is, however, very small, about 0.026 eV, allowing for easy interchanges between the two dynamic states.

A manual measurement of blood vessels diameter is a conventional component of routine visual assessment of microcirculation, say, during optical capillaroscopy. However, many modern optical methods for blood flow measurements demand the reliable procedure for a fully automated detection of vessels and estimation of their diameter that is a challenging task. Specifically, if one measure the velocity of red blood cells by means of laser speckle imaging, then visual measurements become impossible, while the velocity-based estimation has their own limitations. One of promising approaches is based on fast switching of illumination type, but it drastically reduces the observation time, and hence, the achievable quality of images. In the present work we address this problem proposing an alternative method for the processing of noisy images of vascular structure, which extracts the mask denoting locations of vessels, based on the application of the continuous wavelet transform with the Morlet wavelet having small central frequencies. Such a method combines a reasonable accuracy with the possibility of fast direct implementation to images. Discussing the latter, we describe in details a new MATLAB program code realization for the CWT with the Morlet wavelet, which does not use loops completely replaced with element-by-element operations that drastically reduces the computation time., Comment: 6 pages, 3 figures

We consider two approaches to modelling of cell metabolism of 6-mercaptopurine, which is one of the important chemotherapy drugs used for treating of acute lymphocytic leukemia: kinetic ordinary differential equations and random Boolean networks, and analyse their interplay with respect to taking into account ATP concentration as a key parameter of switching between different pathways. It is shown that Boolean networks, which allow for avoiding complexity of general kinetic modelling, preserve an opportunity to the reproduction of the principal switching mechanism. To keep a detailed quantitative measure of the control parameter, a combined Boolean-ODE method is proposed., Comment: 9 pages; 2 figure; 2 tables

We explore the behaviour of the inverse reduced density fluctuations and the isobaric expansion coefficient using {\alpha},{\omega}-dibromoalkanes as an example. Two different states are revealed far from the critical point: the region of exponentially decaying fluctuations near the coexistence curve and the state with longer correlations under sufficiently high pressures. The crossing of the isotherms of the isobaric expansion coefficient occurs within the PVT range of the mentioned transition. We discuss the interplay of this crossing with the changes in molecular packing structure connected with the analysed function of the density, which represents inverse reduced volume fluctuations., Comment: 14 pages, 4 figures

This work presents a comparative analysis of Influenzanet data for influenza itself and common cold in the Netherlands during the last 5 years, from the point of view of modelling by linearised SIRS equations parametrically driven by the ambient temperature. It is argued that this approach allows for the forecast of common cold, but not of influenza in a strict sense. The difference in their kinetic models is discussed with reference to the clinical background., Comment: 6 pages, 5 figures

We identify the result of the continuous wavelet transform with the difference of solutions of two hyperbolic partial differential equations, for which wavelet's shift and scale are considered as independent variables on 2D plane. The characteristic property, which follows from the introduced representation is is the fact that the transform's values inside the triangle defined by two characteristics (a=const, b=const) and crossecting them slopped line on a scale-shift plane (a,b) are completely and uniquely defined by the value of transform and its derivatives along the last mentioned line., Comment: 8 pages, 1 figure

Recently, it has been proven [R. Soc. Open Sci. 1 (2014) 140124] that the continuous wavelet transform with non-admissible kernels (approximate wavelets) allows for an existence of the exact inverse transform. Here we consider the computational possibility for the realization of this approach. We provide modified simpler explanation of the reconstruction formula, restricted on the practical case of real valued finite (or periodic/periodized) samples and the standard (restricted) Morlet wavelet as a practically important example of an approximate wavelet. The provided examples of applications includes the test function and the non-stationary electro-physical signals arising in the problem of neuroscience., Comment: 18 pages, 4 figures

We consider the problem of linear fitting of noisy data in the case of broad (say $\alpha$-stable) distributions of random impacts ("noise"), which can lack even the first moment. This situation, common in statistical physics of small systems, in Earth sciences, in network science or in econophysics, does not allow for application of conventional Gaussian maximum-likelihood estimators resulting in usual least-squares fits. Such fits lead to large deviations of fitted parameters from their true values due to the presence of outliers. The approaches discussed here aim onto the minimization of the width of the distribution of residua. The corresponding width of the distribution can either be defined via the interquantile distance of the corresponding distributions or via the scale parameter in its characteristic function. The methods provide the robust regression even in the case of short samples with large outliers, and are equivalent to the normal least squares fit for the Gaussian noises. Our discussion is illustrated by numerical examples., Comment: 23 pages, 8 figures