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In the paper we construct the model of phase change. Process of hydriding / dehydriding is taken as an example. A single powder particle is considered under the assumption about its symmetry. A ball, a cylinder, and a flat plate are examples of such symmetrical shapes. The model desribes both the "shrinking core"(when the skin of the new phase appears on the surface of the particle) and the "nucleation and growth"(when the skin does not appear till complete vanishing of the old phase) scenarios. The model is the non-classical boundary-value problem with the free boundary and nonlinear Neumann boundary condition. The symmetry assumptions allow to reduce the problem to the single spatial variable. The model was tested on the series of experimental data. We show that the particle shape’s influence on the kinetics is insignificant. We also show that a set of particles of different shapes with size distribution can be approxomated by the single particle of the "average" size and of a simple shape; this justifies using single particle approximation and simple shapes in mathematical models.

The paper proposes a new mathematical model to study the interaction dynamics of the longitudinal wall of a narrow channel with its end seal. The end seal was considered as the edge wall on a spring, i.e. spring-mass system. These walls interaction occurs via a viscous liquid filling the narrow channel; thus required the formulation and solution of the hydroelasticity problem. However, this problem has not been previously studied. The problem consists of the Navier–Stokes equations, the continuity equation, the edge wall dynamics equation, and the corresponding boundary conditions. Two cases of fluid motion in a narrow channel with parallel walls were studied. In the first case, we assumed the liquid motion as the creeping one, and in the second case as the laminar, taking into account the motion inertia. The hydroelasticty problem solution made it possible to determine the distribution laws of velocities and pressure in the liquid layer, as well as the motion law of the edge wall. It is shown that during creeping flow, the liquid physical properties and the channel geometric dimensions completely determine the damping in the considered oscillatory system. Both the end wall velocity and the longitudinal wall velocity affect the damping properties of the liquid layer. If the fluid motion inertia forces were taken into account, their influence on the edge wall vibrations was revealed, which manifested itself in the form of two added masses in the equation of its motion. The added masses and damping coefficients of the liquid layer due to the joint consideration of the liquid layer inertia and its viscosity were determined. The frequency and phase responses of the edge wall were constructed for the regime of steady-state harmonic oscillations. The simulation showed that taking into account the fluid layer inertia and its damping properties leads to a shift in the resonant frequencies to the low-frequency region and an increase in the oscillation amplitudes of the edge wall.

X-ray diffraction experiment allows determining of magnitudes of complex coefficients in the decomposition of the studied electron density distribution into Fourier series. The determination of the lost in the experiment phase values poses the central problem of the method, namely the phase problem. Some methods for solving of the phase problem result in a set of feasible solutions. Cluster analysis method may be used to investigate the composition of this set and to extract one or several typical solutions. An essential feature of the approach is the estimation of the closeness of two solutions by the map correlation between two aligned Fourier syntheses calculated with the use of phase sets under comparison. An interactive computer program ClanGR was designed to perform this analysis.

Metal hydrides are an interesting class of chemical compounds that can reversibly bind a large amount of hydrogen and are, therefore, of interest for energy applications. Understanding the factors affecting the kinetics of hydride formation and decomposition is especially important. Features of the material, experimental setup and conditions affect the mathematical description of the processes, which can undergo significant changes during the processing of experimental data. The article proposes a general approach to numerical modeling of the formation and decomposition of metal hydrides and solving inverse problems of estimating material parameters from measurement data. The models are divided into two classes: diffusive ones, that take into account the gradient of hydrogen concentration in the metal lattice, and models with fast diffusion. The former are more complex and take the form of non-classical boundary value problems of parabolic type. A rather general approach to the grid solution of such problems is described. The second ones are solved relatively simply, but can change greatly when model assumptions change. Our experience in processing experimental data shows that a flexible software tool is needed; a tool that allows, on the one hand, building models from standard blocks, freely changing them if necessary, and, on the other hand, avoiding the implementation of routine algorithms. It also should be adapted for high-performance systems of different paradigms. These conditions are satisfied by the HIMICOS library presented in the paper, which has been tested on a large number of experimental data. It allows simulating the kinetics of formation and decomposition of metal hydrides, as well as related tasks, at three levels of abstraction. At the low level, the user defines the interface procedures, such as calculating the time layer based on the previous layer or the entire history, calculating the observed value and the independent variable from the task variables, comparing the curve with the reference. Special algorithms can be used for solving quite general parabolic-type boundary value problems with free boundaries and with various quasilinear (i.e., linear with respect to the derivative only) boundary conditions, as well as calculating the distance between the curves in different metric spaces and with different normalization. This is the middle level of abstraction. At the high level, it is enough to choose a ready tested model for a particular material and modify it in relation to the experimental conditions.

The results of determination of the risk of cardiovascular failure of young athletes and adolescents in stressful physical activity have been demonstrated. The method of screening diagnostics of the risk of developing heart failure has been described. The results of contactless measurement of the form of the pulse wave of the radial artery using semiconductor laser autodyne have been presented. In the measurements used laser diode type RLD-650 specifications: output power of 5 mW, emission wavelength 654 nm. The problem was solved by the reduced form of the reflector movement, which acts as the surface of the skin of the human artery, tested method of assessing the risk of cardiovascular disease during exercise and the analysis of the results of its application to assess the risk of cardiovascular failure reactions of young athletes. As analyzed parameters were selected the following indicators: the steepness of the rise in the systolic portion of the fast and slow phase, the rate of change in the pulse wave catacrota variability of cardio intervals as determined by the time intervals between the peaks of the pulse wave. It analyzed pulse wave form on its first and second derivative with respect to time. The zeros of the first derivative of the pulse wave allow to set aside time in systolic rise. A minimum of the second derivative corresponds to the end of the phase and the beginning of the slow pressure build-up in the systole. Using the first and second derivative of the pulse wave made it possible to separately analyze the pulse wave form phase of rapid and slow pressure increase phase during systolic expansion. It has been established that the presence of anomalies in the form of the pulse wave in combination with vagotonic nervous regulation of the cardiovascular system of a patient is a sign of danger collapse of circulation during physical exercise.

One of problems in developing the gas condensate fields lies on the fact that the condensed hydrocarbons in the gas-bearing layer can get stuck in the pores of the formation and hence cannot be extracted. In this regard, research is underway to increase the recoverability of hydrocarbons in such fields. This research includes a wide range of studies on mathematical simulations of the passage of gas condensate mixtures through a porous medium under various conditions.

In the present work, within the classical approach based on the Darcy law and the law of continuity of flows, we formulate an initial-boundary value problem for a system of nonlinear differential equations that describes a depletion of a multicomponent gas-condensate mixture in porous reservoir. A computational scheme is developed on the basis of the finite-difference approximation and the fourth order Runge .Kutta method. The scheme can be used for simulations both in the spatially one-dimensional case, corresponding to the conditions of the laboratory experiment, and in the two-dimensional case, when it comes to modeling a flat gas-bearing formation with circular symmetry.

The computer implementation is based on the combination of C++ and Maple tools, using the MPI parallel programming technique to speed up the calculations. The calculations were performed on the HybriLIT cluster of the Multifunctional Information and Computing Complex of the Laboratory of Information Technologies of the Joint Institute for Nuclear Research.

Numerical results are compared with the experimental data on the pressure dependence of output of a ninecomponent hydrocarbon mixture obtained at a laboratory facility (VNIIGAZ, Ukhta). The calculations were performed for two types of porous filler in the laboratory model of the formation: terrigenous filler at 25 .„R and carbonate one at 60 .„R. It is shown that the approach developed ensures an agreement of the numerical results with experimental data. By fitting of numerical results to experimental data on the depletion of the laboratory reservoir, we obtained the values of the parameters that determine the inter-phase transition coefficient for the simulated system. Using the same parameters, a computer simulation of the depletion of a thin gas-bearing layer in the circular symmetry approximation was carried out.

The work is devoted to the study of subgradient methods with different variations of the Polyak stepsize for minimization functions from the class of weakly convex and relatively weakly convex functions that have the corresponding analogue of a sharp minimum. It turns out that, under certain assumptions about the starting point, such an approach can make it possible to justify the convergence of the subgradient method with the speed of a geometric progression. For the subgradient method with the Polyak stepsize, a refined estimate for the rate of convergence is proved for minimization problems for weakly convex functions with a sharp minimum. The feature of this estimate is an additional consideration of the decrease of the distance from the current point of the method to the set of solutions with the increase in the number of iterations. The results of numerical experiments for the phase reconstruction problem (which is weakly convex and has a sharp minimum) are presented, demonstrating the effectiveness of the proposed approach to estimating the rate of convergence compared to the known one. Next, we propose a variation of the subgradient method with switching over productive and non-productive steps for weakly convex problems with inequality constraints and obtain the corresponding analog of the result on convergence with the rate of geometric progression. For the subgradient method with the corresponding variation of the Polyak stepsize on the class of relatively Lipschitz and relatively weakly convex functions with a relative analogue of a sharp minimum, it was obtained conditions that guarantee the convergence of such a subgradient method at the rate of a geometric progression. Finally, a theoretical result is obtained that describes the influence of the error of the information about the (sub)gradient available by the subgradient method and the objective function on the estimation of the quality of the obtained approximate solution. It is proved that for a sufficiently small error $\delta > 0$, one can guarantee that the accuracy of the solution is comparable to $\delta$.

The problem of optimal control of traffic flow in an urban road network is considered. The control is carried out by varying the duration of the working phases of traffic lights at controlled intersections. A description of the control system developed is given. The control system enables the use of three types of control: open-loop, feedback and manual. In feedback control, road infrastructure detectors, video cameras, inductive loop and radar detectors are used to determine the quantitative characteristics of current traffic flow state. The quantitative characteristics of the traffic flows are fed into a mathematical model of the traffic flow, implemented in the computer environment of an automatic traffic flow control system, in order to determine the moments for switching the working phases of the traffic lights. The model is a system of finite-difference recurrent equations and describes the change in traffic flow on each road section at each time step, based on retrived data on traffic flow characteristics in the network, capacity of maneuvers and flow distribution through alternative maneuvers at intersections. The model has scaling and aggregation properties. The structure of the model depends on the structure of the graph of the controlled road network. The number of nodes in the graph is equal to the number of road sections in the considered network. The simulation of traffic flow changes in real time makes it possible to optimally determine the duration of traffic light operating phases and to provide traffic flow control with feedback based on its current state. The system of automatic collection and processing of input data for the model is presented. In order to model the states of traffic flow in the network and to solve the problem of optimal traffic flow control, the CTraf software package has been developed, a brief description of which is given in the paper. An example of the solution of the optimal control problem of traffic flows on the basis of real data in the road network of Moscow is given.

Now days the main research activity in the field of nanotechnology is aimed at the creation, study and application of new materials and new structures. Recently, much attention has been attracted by the possibility of controlling magnetic properties using a superconducting current, as well as the influence of magnetic dynamics on the current–voltage characteristics of hybrid superconductor/ferromagnet (S/F) nanostructures. In particular, such structures include the S/F/S Josephson junction or molecular nanomagnets coupled to the Josephson junctions. Theoretical studies of the dynamics of such structures need processes of a large number of coupled nonlinear equations. Numerical modeling of hybrid superconductor/magnet nanostructures implies the calculation of both magnetic dynamics and the dynamics of the superconducting phase, which strongly increases their complexity and scale, so it is advisable to use heterogeneous computing systems.

In the course of studying the physical properties of these objects, it becomes necessary to numerically solve complex systems of nonlinear differential equations, which requires significant time and computational resources.

The currently existing micromagnetic algorithms and frameworks are based on the finite difference or finite element method and are extremely useful for modeling the dynamics of magnetization on a wide time scale. However, the functionality of existing packages does not allow to fully implement the desired computation scheme.

The aim of the research is to develop a unified environment for modeling hybrid superconductor/magnet nanostructures, providing access to solvers and developed algorithms, and based on a heterogeneous computing paradigm that allows research of superconducting elements in nanoscale structures with magnets and hybrid quantum materials. In this paper, we investigate resonant phenomena in the nanomagnet system associated with the Josephson junction. Such a system has rich resonant physics. To study the possibility of magnetic reversal depending on the model parameters, it is necessary to solve numerically the Cauchy problem for a system of nonlinear equations. For numerical simulation of hybrid superconductor/magnet nanostructures, a computing environment based on the heterogeneous HybriLIT computing platform is implemented. During the calculations, all the calculation times obtained were averaged over three launches. The results obtained here are of great practical importance and provide the necessary information for evaluating the physical parameters in superconductor/magnet hybrid nanostructures.

The paper investigates the dynamics of a finite-dimensional model describing the interaction of three populations: prey $x(t)$, its consuming predator $y(t)$, and a superpredator $z(t)$ that feeds on both species. Mathematically, the problem is formulated as a system of nonlinear first-order differential equations with the following right-hand side: $[x(1-x)-(y+z)g;\,\eta_1^{}yg-d_1^{}f-\mu_1^{}y;\,\eta_2^{}zg+d_2^{}f-\mu_2^{}z]$, where $\eta_j^{}$, $d_j^{}$, $\mu_j^{}$ ($j=1,\,2$) are positive coefficients. The considered model belongs to the class of cosymmetric dynamical systems under the Lotka\,--\,Volterra functional response $g=x$, $f=yz$, and two parameter constraints: $\mu_2^{}=d_2^{}\left(1+\frac{\mu_1^{}}{d_1^{}}\right)$, $\eta_2^{}=d_2^{}\left(1+\frac{\eta_1^{}}{d_1^{}}\right)$. In this case, a family of equilibria is being of a straight line in phase space. We have analyzed the stability of the equilibria from the family and isolated equilibria. Maps of stationary solutions and limit cycles have been constructed. The breakdown of the family is studied by violating the cosymmetry conditions and using the Holling model $g(x)=\frac x{1+b_1^{}x}$ and the Beddington–DeAngelis model $f(y,\,z)=\frac{yz}{1+b_2^{}y+b_3^{}z}$. To achieve this, the apparatus of Yudovich's theory of cosymmetry is applied, including the computation of cosymmetric defects and selective functions. Through numerical experimentation, invasive scenarios have been analyzed, encompassing the introduction of a superpredator into the predator-prey system, the elimination of the predator, or the superpredator.