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Present work is dedicated to systematic study of equilibrium configurations of gold and silver clusters in size from 2 to 9 atoms. To the lowest energy configurations is performed calculation of electronic excitation spectra. All calculations are carried out within the framework of density functional theory (DFT) using the hybrid B3LYP functional and ECP LANL2DZ. Based on the analysis of the received electronic excitation spectra we try to confirm the assumption that small gold and silver clusters, capable of luminescence can be produced only in the presence of a stabilizing template. The authors show that without stabilization in the solution formed “flat” and “spherical” configuration whose spectra do not correspond to the experimental luminescence excitation spectra for DNA cluster complexes.

In the article is carried out the analysis of historical process with the use of methods of synergetics (science about the nonlinear developing systems in nature and the society), developed in the works of D. S. Chernavskii in connection with to economic and social systems. It is shown that social self-organizing depending on conditions leads to the formation of both the societies with the strong internal competition (Y-structures) and cooperative type societies (X-structures). Y-structures are characteristic for the countries of the West, X-structure are characteristic for the countries of the East. It is shown that in XIX and in XX centuries occurred accelerated shaping and strengthening of Y-structures. However, at present world system entered into the period of serious structural changes in the economic, political, ideological spheres: the domination of Y-structures concludes. Are examined the possible ways of further development of the world system, connected with change in the regimes of self-organizing and limitation of internal competition. This passage will be prolonged and complex. Under these conditions it will objectively grow the value of the civilizational experience of Russia, on basis of which was formed combined type social system. It is shown that ultimately inevitable the passage from the present do-mination of Y-structures to the absolutely new global system, whose stability will be based on the new ideology, the new spirituality (i.e., new “conditional information” according D. S. Chernavskii), which makes a turn from the principles of competition to the principles of collaboration.

We study the influence of fishery on a structured fish population under random changes of habitat conditions. The population parameters correspond to dominant pelagic fish species of Far-Eastern seas of the northwestern part of the Pacific Ocean (pollack, herring, sardine). Similar species inhabit various parts of the Word Ocean. The species body size distribution was chosen as a main population feature. This characteristic is easy to measure and adequately defines main specimen qualities such as age, maturity and other morphological and physiological peculiarities. Environmental fluctuations have a great influence on the individuals in early stages of development and have little influence on the vital activity of mature individuals. The fishery revenue was chosen as an optimality criterion. The main control characteristic is fishing effort. We have chosen quadratic dependence of fishing revenue on the fishing effort according to accepted economic ideas stating that the expenses grow with the production volume. The model study shows that the population structure ensures the increased population stability. The growth and drop out of the individuals’ due to natural mortality smoothens the oscillations of population density arising from the strong influence of the fluctuations of environment on young individuals. The smoothing part is played by diffusion component of the growth processes. The fishery in its turn smooths the fluctuations (including random fluctuations) of the environment and has a substantial impact upon the abundance of fry and the subsequent population dynamics. The optimal time-dependent fishing effort strategy was compared to stationary fishing effort strategy. It is shown that in the case of quickly changing habitat conditions and stochastic dynamics of population replenishment there exists a stationary fishing effort having approximately the same efficiency as an optimal time-dependent fishing effort. This means that a constant or weakly varying fishing effort can be very efficient strategy in terms of revenue.

We study an appearance of gravitational convection in a porous medium saturated by the double-diffusive fluid. The rectangle heated from below is considered with anisotropy of media properties. We analyze Darcy – Boussinesq equations for a binary fluid with Soret effect.

Resulting system for the stream function, the deviation of temperature and concentration is cosymmetric under some additional conditions for the parameters of the problem. It means that the quiescent state (mechanical equilibrium) loses its stability and a continuous family of stationary regimes branches off. We derive explicit formulas for the critical values of the Rayleigh numbers both for temperature and concentration under these conditions of the cosymmetry. It allows to analyze monotonic instability of mechanical equilibrium, the results of corresponding computations are presented.

A finite-difference discretization of a second-order accuracy is developed with preserving of the cosymmetry of the underlying system. The derived numerical scheme is applied to analyze the stability of mechanical equilibrium.

The appearance of stationary and nonstationary convective regimes is studied. The neutral stability curves for the mechanical equilibrium are presented. The map for the plane of the Rayleigh numbers (temperature and concentration) are displayed. The impact of the parameters of thermal diffusion on the Rayleigh concentration number is established, at which the oscillating instability precedes the monotonic instability. In the general situation, when the conditions of cosymmetry are not satisfied, the derived formulas of the critical Rayleigh numbers can be used to estimate the thresholds for the convection onset.

One of the destroying natural processes is the initiation of the regional seismic activity. It leads to a large number of human deaths. Much effort has been made to develop precise and robust methods for the estimation of the seismic stability of buildings. One of the most common approaches is the natural frequency method. The obvious drawback of this approach is a low precision due to the model oversimplification. The other method is a detailed simulation of dynamic processes using the finite-element method. Unfortunately, the quality of simulations is not enough due to the difficulty of setting the correct free boundary condition. That is why the development of new numerical methods for seismic stability problems is a high priority nowadays.

The present work is devoted to the study of spatial dynamic processes occurring in geological medium during an earthquake. We describe a method for simulating seismic wave propagation from the hypocenter to the day surface. To describe physical processes, we use a system of partial differential equations for a linearly elastic body of the second order, which is solved numerically by a grid-characteristic method on parallelepiped meshes. The widely used geological hypocenter model, called the “double-couple” model, was incorporated into this numerical algorithm. In this case, any heterogeneities, such as geological layers with curvilinear boundaries, gas and fluid-filled cracks, fault planes, etc., may be explicitly taken into account.

In this paper, seismic waves emitted during the earthquake initiation process are numerically simulated. Two different models are used: the homogeneous half-space and the multilayered geological massif with the day surface. All of their parameters are set based on previously published scientific articles. The adequate coincidence of the simulation results is obtained. And discrepancies may be explained by differences in numerical methods used. The numerical approach described can be extended to more complex physical models of geological media.

Inverse geophysical problems are difficult to solve due to their mathematically incorrect formulation and large computational complexity. Geophysical exploration in frontier areas is even more complicated due to the lack of reliable geological information. In this case, inversion methods that allow interpretation of several types of geophysical data together are recognized to be of major importance. This paper is dedicated to one of such inversion methods, which is based on minimization of the determinant of the Gram matrix for a set of model vectors. Within the framework of this approach, we minimize a nonlinear functional, which consists of squared norms of data residual of different types, the sum of stabilizing functionals and a term that measures the structural similarity between different model vectors. We apply this approach to seismic and electromagnetic synthetic data set. Specifically, we study joint inversion of acoustic pressure response together with controlled-source electrical field imposing structural constraints on resulting electrical conductivity and P-wave velocity distributions.

We start off this note with the problem formulation and present the numerical method for inverse problem. We implemented the conjugate-gradient algorithm for non-linear optimization. The efficiency of our approach is demonstrated in numerical experiments, in which the true 3D electrical conductivity model was assumed to be known, but the velocity model was constructed during inversion of seismic data. The true velocity model was based on a simplified geology structure of a marine prospect. Synthetic seismic data was used as an input for our minimization algorithm. The resulting velocity model not only fit to the data but also has structural similarity with the given conductivity model. Our tests have shown that optimally chosen weight of the Gramian term may improve resolution of the final models considerably.

For a non-homogeneous model transport equation with source terms, the stability analysis of a linear hybrid scheme (a combination of upwind and central approximations) is performed. Stability conditions are obtained that depend on the hybridity parameter, the source intensity factor (the product of intensity per time step), and the weight coefficient of the linear combination of source power on the lower- and upper-time layer. In a nonlinear case for the non-equilibrium by velocities and temperatures equations of gas suspension motion, the linear stability analysis was confirmed by calculation. It is established that the maximum permissible Courant number of the hybrid large-particle method of the second order of accuracy in space and time with an implicit account of friction and heat exchange between gas and particles does not depend on the intensity factor of interface interactions, the grid spacing and the relaxation times of phases (K-stability). In the traditional case of an explicit method for calculating the source terms, when a dimensionless intensity factor greater than 10, there is a catastrophic (by several orders of magnitude) decrease in the maximum permissible Courant number, in which the calculated time step becomes unacceptably small.

On the basic ratios of Riemann’s problem in the equilibrium heterogeneous medium, we obtained an asymptotically exact self-similar solution of the problem of interaction of a shock wave with a layer of gas-suspension to which converge the numerical solution of two-velocity two-temperature dynamics of gassuspension when reducing the size of dispersed particles.

The dynamics of the shock wave in gas and its interaction with a limited gas suspension layer for different sizes of dispersed particles: 0.1, 2, and 20 ìm were studied. The problem is characterized by two discontinuities decay: reflected and refracted shock waves at the left boundary of the layer, reflected rarefaction wave, and a past shock wave at the right contact edge. The influence of relaxation processes (dimensionless phase relaxation times) to the flow of a gas suspension is discussed. For small particles, the times of equalization of the velocities and temperatures of the phases are small, and the relaxation zones are sub-grid. The numerical solution at characteristic points converges with relative accuracy $O \, (10^{-4})$ to self-similar solutions.

We analyze variants of considering the inhomogeneity of the environment in computer modeling of the dynamics of a predator and prey based on a system of reaction-diffusion–advection equations. The local interaction of species (reaction terms) is described by the logistic law for the prey and the Beddington –DeAngelis functional response, special cases of which are the Holling type II functional response and the Arditi – Ginzburg model. We consider a one-dimensional problem in space for a heterogeneous resource (carrying capacity) and three types of taxis (the prey to resource and from the predator, the predator to the prey). An analytical approach is used to study the stability of stationary solutions in the case of local interaction (diffusionless approach). We employ the method of lines to study diffusion and advective processes. A comparison of the critical values of the mortality parameter of predators is given. Analysis showed that at constant coefficients in the Beddington –DeAngelis model, critical values are variable along the spatial coordinate, while we do not observe this effect for the Arditi –Ginzburg model. We propose a modification of the reaction terms, which makes it possible to take into account the heterogeneity of the resource. Numerical results on the dynamics of species for large and small migration coefficients are presented, demonstrating a decrease in the influence of the species of local members on the emerging spatio-temporal distributions of populations. Bifurcation transitions are analyzed when changing the parameters of diffusion–advection and reaction terms.

The effectiveness of communication and data transmission systems (CSiPS), which are an integral part of modern systems in almost any field of science and technology, largely depends on the stability of the frequency of the generated signals. The signals generated in the CSiPD can be considered as processes, the frequency of which changes under the influence of a combination of external influences. Changing the frequency of the signals leads to a decrease in the signal-tonoise ratio (SNR) and, consequently, a deterioration in the characteristics of the signal-to-noise ratio, such as the probability of a bit error and bandwidth. It is most convenient to consider the description of such changes in the frequency of signals as random processes, the apparatus of which is widely used in the construction of mathematical models describing the functioning of systems and devices in various fields of science and technology. Moreover, in many cases, the characteristics of a random process, such as the distribution law, mathematical expectation, and variance, may be unknown or known with errors that do not allow us to obtain estimates of the signal parameters that are acceptable in accuracy. The article proposes an algorithm for solving the problem of determining the characteristics of a random process (signal frequency) based on a set of samples of its frequency, allowing to determine the sample mean, sample variance and the distribution law of frequency deviations in the general population. The basis of this algorithm is the comparison of the values of the observed random process measured over a certain time interval with a set of the same number of random values formed on the basis of model distribution laws. Distribution laws based on mathematical models of these systems and devices or corresponding to similar systems and devices can be considered as model distribution laws. When forming a set of random values for the accepted model distribution law, the sample mean value and variance obtained from the measurement results of the observed random process are used as mathematical expectation and variance. The feature of the algorithm is to compare the measured values of the observed random process ordered in ascending or descending order and the generated sets of values in accordance with the accepted models of distribution laws. The results of mathematical modeling illustrating the application of this algorithm are presented.

In this paper on the basis of the riverbed model proposed earlier the one-dimensional stability problem of closed flow channel with sandy bed is solved. The feature of the investigated problem is used original equation of riverbed deformations, which takes into account the influence of mechanical and granulometric bed material characteristics and the bed slope when riverbed analyzing. Another feature of the discussed problem is the consideration together with shear stress influence normal stress influence when investigating the riverbed instability. The analytical dependence determined the wave length of fast-growing bed perturbations is obtained from the solution of the sandy bed stability problem for closed flow channel. The analysis of the obtained analytical dependence is performed. It is shown that the obtained dependence generalizes the row of well-known empirical formulas: Coleman, Shulyak and Bagnold. The structure of the obtained analytical dependence denotes the existence of two hydrodynamic regimes characterized by the Froude number, at which the bed perturbations growth can strongly or weakly depend on the Froude number. Considering a natural stochasticity of the waves movement process and the presence of a definition domain of the solution with a weak dependence on the Froude numbers it can be concluded that the experimental observation of the of the bed waves movement development should lead to the data acquisition with a significant dispersion and it occurs in reality.