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The features of the component circuits method (MCC) in modeling chemical-technological systems (CTS) are considered, taking into account its practical significance. The software and algorithmic implementation of which is currently a set of computer modeling programs MARS (Modeling and Automatic Research of Systems). MARS allows the development and analysis of mathematical models with specified experimental parameters. Research and calculations were carried out using a specialized software and hardware complex MARS, which allows the development of mathematical models with specified experimental parameters. In the course of this work, the model of a perfect-mixing reactor was developed in the MARS modeling environment taking into account the physicochemical features of the uranium extraction process in the presence of nitric acid and tributyl phosphate. As results, the curves of changes of the concentration of uranium extracted into the organic phase are presented. The possibility of using MCC for the description and analysis of CTS, including extraction processes, has been confirmed. The use of the obtained results is planned to be used in the development of a virtual laboratory, which will include the main apparatus of the chemical industry, as well as complex technical controlled systems (CTСS) based on them and will allow one to acquire a wide range of professional competencies in working with “digital twins” of real control objects, including gaining initial experience working with the main equipment of the nuclear industry. In addition to the direct applied benefits, it is also assumed that the successful implementation of the domestic complex of computer modeling programs and technologies based on the obtained results will make it possible to find solutions to the problems of organizing national technological sovereignty and import substitution.

The need to model high-speed flows of compressible media with shock waves in the presence of dense curtains or layers of particles arises when studying various processes, such as the dispersion of particles from a layer behind a shock wave or propagation of combustion waves in heterogeneous explosives. These directions have been successfully developed over the past few decades, but the corresponding mathematical models and computational algorithms continue to be actively improved. The mechanisms of wave processes in two-phase media differ in different models, so it is important to continue researching and improving these models.

The paper is devoted to the numerical study of the propagation of disturbances inside a sand bed under the action of successive impacts of a normally incident air shock wave. The setting of the problem follows the experiments of A. T.Akhmetov with co-authors. The aim of this study is to investigate the possible reasons for signal amplification on the pressure sensor within the bed, as observed under some conditions in experiments. The mathematical model is based on a one-dimensional system of Baer –Nunziato equations for describing dense flows of two-phase media taking into account intergranular stresses in the particle phase. The computational algorithm is based on the Godunov method for the Baer – Nunziato equations.

The paper describes the dynamics of waves inside and outside a particle bed after applying first and second pressure pulses to it. The main components of the flow within the bed are filtration waves in the gas phase and compaction waves in the solid phase. The compaction wave, generated by the first pulse and reflected from the walls of the shock tube, interacts with the filtration wave caused by the second pulse. As a result, the signal measured by the pressure sensor inside the bed has a sharp peak, explaining the new effect observed in experiments.

The article presents updated technologies for solving two classes of linear resource allocation problems with dynamically changing characteristics of situational management systems and awareness of experts (and/or trained robots). The search for solutions is carried out in an interactive mode of computational experiment using updatable knowledge systems about problems considered as constructive objects (in accordance with the methodology of formalization of knowledge about programmable problems created in the theory of S-symbols). The technologies are focused on implementation in the form of Internet services. The first class includes resource allocation problems solved by the method of targeted solution movement. The second is the problems of allocating a single resource in hierarchical systems, taking into account the priorities of expense items, which can be solved (depending on the specified mandatory and orienting requirements for the solution) either by the interval method of allocation (with input data and result represented by numerical segments), or by the targeted solution movement method. The problem statements are determined by requirements for solutions and specifications of their applicability, which are set by an expert based on the results of the portraits of the target and achieved situations analysis. Unlike well-known methods for solving resource allocation problems as linear programming problems, the method of targeted solution movement is insensitive to small data changes and allows to find feasible solutions when the constraint system is incompatible. In single-resource allocation technologies, the segmented representation of data and results allows a more adequate (compared to a point representation) reflection of the state of system resource space and increases the practical applicability of solutions. The technologies discussed in the article are programmatically implemented and used to solve the problems of resource basement for decisions, budget design taking into account the priorities of expense items, etc. The technology of allocating a single resource is implemented in the form of an existing online cost planning service. The methodological consistency of the technologies is confirmed by the results of comparison with known technologies for solving the problems under consideration.

This paper is devoted to the problem of edge criticality identification and ranking in complex networks, which is a part of a modern research direction in the novel network science. The diffusion importance belongs to the set of acknowledged methods that help to identify the significant connections in the graph that are critical to retaining structural integrity. In the present work, we develop the Iterative Diffusion Importance algorithm that is based on the re-estimation of critical topological features at each step of the graph deconstruction. The Iterative Diffusion Importance has been compared with methods such as diffusion importance and degree product, which are two very well-known benchmark algorithms. As for benchmark networks, we tested the Iterative Diffusion Importance on three standard networks, such as Zachary’s Karate Club, the American Football Network, and the Dolphins Network, which are often used for algorithm efficiency evaluation and are different in size and density. Also, we proposed a new benchmark network representing the airplane communication between Japan and the US. The numerical experiment on finding the ranking of critical edges and the following network decomposition demonstrated that the proposed Iterative Diffusion Importance exceeds the conventional diffusion importance by the efficiency for 2–35% depending on the network complexity, the number of nodes, and the number of edges. The only drawback of the Iterative Diffusion Importance is an increase in computation complexity and hencely in the runtime, but this drawback can be easily compensated for by the preliminary planning of the network deconstruction or protection and by reducing the re-evaluation frequency of the iterative process.

The article presents an approach to configuration of an artificial neural network architecture and a training set size. Configuration is based on parameter minimization with constraints specifying neural network model quality criteria. The algorithm of artificial neural network architecture and training set size configuration is applied to dynamic object artificial neural network approximation.
Series of computational experiments were performed. The method is applicable to construction of dynamic object models based on non-linear autocorrelation neural networks.

A model of forest insect population dynamics used to simulate of “forest-insect” interactions and for estimation of possible damages of forest stand by pests. This model represented a population as control system where the input variables characterized the influence of modifier (climatic) factors and the feedback loop describes the effect of regulatory factors (parasites, predators and population interactions). The technique of stress testing on the basis of population dynamics model proposed for assessment of the risks of forest stand damage and destruction after insect impact. The dangerous forest pest pine looper Bupalus piniarius L. considered as the object of analysis. Computer experiments were conducted to assess of outbreak risks with possible climate change in the territory of Central Siberia. Model experiments have shown that risk of insect impact on the forest is not increased significantly in condition of sufficiently moderate warming (not more than 4 °C in summer period). However, a stronger warming in the territory of Central Siberia, combined with a dry summer condition could cause a significant increase in the risk of pine looper outbreaks.

The technique of simplification of mathematical model of a chemical reaction by reducing the number of steps of the reaction scheme, based on an analysis of sensitivity to changes in the objective function of the model parameters, is proposed. The reduced scheme of model reaction of formaldehyde oxidation is received. Functional characterizes the measure of proximity to the calculated values for the initial kinetic reaction scheme and the scheme resulting disturbance of its parameters. The advantage of this technique is the ability to analyze complex kinetic schemes and reduction of kinetic models to a size suitable for practical use. The results of computational experiments under different reaction conditions can be included in the functional and thus to receive the reduce scheme, which is consistent the detailed scheme for the desired range of conditions. Sensitivity analysis of the functional model allows to identify those parameters, which provide the largest (or smallest) the contribution to the result of the process simulation. The mathematical model can contain parameters, which change of values do not affect the qualitative and quantitative description of the process. The contribution of these parameters in the functional value won’t be of great importance. Thus it can be eliminated from consideration, which do not serve for modeling kinetic curves substances. The kinetic scheme of formaldehyde oxidation, the detailed mechanism which includes 25 stages and 15 substances, were investigated using this method. On the basis of the local and global sensitivity analysis, the most important stage of the process that affect the overall dynamics of the target concentrations of the reaction. The reduced scheme of model reaction of formaldehyde oxidation is received. This scheme also describes the behavior of the main substances, as detailed scheme, but has a much smaller number of reaction stages. The results of the comparative analysis of modeling of formaldehyde oxidation on detailed and reduced schemes are given. Computational aspects of the problems of chemical kinetics by Sobol’ global method an example of this reaction are specified. The comparison results are local, global and total sensitivity indices are given.

Nowadays the random search became a widespread and effective tool for solving different complex optimization and adaptation problems. In this work, the problem of an average duration of a random search for one object by another is regarded, depending on various factors on a square field. The problem solution was carried out by holding total experiment with 4 factors and orthogonal plan with 54 lines. Within each line, the initial conditions and the cellular automaton transition rules were simulated and the duration of the search for one object by another was measured. As a result, the regression model of average duration of a random search for an object depending on the four factors considered, specifying the initial positions of two objects, the conditions of their movement and detection is constructed. The most significant factors among the factors considered in the work that determine the average search time are determined. An interpretation is carried out in the problem of random search for an object from the constructed model. The important result of the work is that the qualitative and quantitative influence of initial positions of objects, the size of the lattice and the transition rules on the average duration of search is revealed by means of model obtained. It is shown that the initial neighborhood of objects on the lattice does not guarantee a quick search, if each of them moves. In addition, it is quantitatively estimated how many times the average time of searching for an object can increase or decrease with increasing the speed of the searching object by 1 unit, and also with increasing the field size by 1 unit, with different initial positions of the two objects. The exponential nature of the growth in the number of steps for searching for an object with an increase in the lattice size for other fixed factors is revealed. The conditions for the greatest increase in the average search duration are found: the maximum distance of objects in combination with the immobility of one of them when the field size is changed by 1 unit. (that is, for example, with $4 \times 4$ at $5 \times 5$) can increase the average search duration in $e^{1.69} \approx 5.42$. The task presented in the work may be relevant from the point of view of application both in the landmark for ensuring the security of the state, and, for example, in the theory of mass service.

Mathematical simulation of unsteady natural convection and thermal surface radiation within a rotating square enclosure was performed. The considered domain of interest had two isothermal opposite walls subjected to constant low and high temperatures, while other walls are adiabatic. The walls were diffuse and gray. The considered cavity rotated with constant angular velocity relative to the axis that was perpendicular to the cavity and crossed the cavity in the center. Mathematical model, formulated in dimensionless transformed variables “stream function – vorticity” using the Boussinesq approximation and diathermic approach for the medium, was performed numerically using the finite difference method. The vorticity dispersion equation and energy equation were solved using locally one-dimensional Samarskii scheme. The diffusive terms were approximated by central differences, while the convective terms were approximated using monotonic Samarskii scheme. The difference equations were solved by the Thomas algorithm. The approximated Poisson equation for the stream function was solved by successive over-relaxation method. Optimal value of the relaxation parameter was found on the basis of computational experiments. Radiative heat transfer was analyzed using the net-radiation method in Poljak approach. The developed computational code was tested using the grid independence analysis and experimental and numerical results for the model problem.

Numerical analysis of unsteady natural convection and thermal surface radiation within the rotating enclosure was performed for the following parameters: Ra = 10³–10⁶, Ta = 0–10⁵, Pr = 0.7, ε = 0–0.9. All distributions were obtained for the twentieth complete revolution when one can find the periodic behavior of flow and heat transfer. As a result we revealed that at low angular velocity the convective flow can intensify but the following growth of angular velocity leads to suppression of the convective flow. The radiative Nusselt number changes weakly with the Taylor number.

The work is dedicated to the use of the software package Turbulence Problem Solver (TPS) for numerical simulation of a wide range of laser problems. The capabilities of the package are demonstrated by the example of numerical simulation of the interaction of femtosecond laser pulses with thin metal bonds. The software package TPS developed by the authors is intended for numerical solution of hyperbolic systems of differential equations on multiprocessor computing systems with distributed memory. The package is a modern and expandable software product. The architecture of the package gives the researcher the opportunity to model different physical processes in a uniform way, using different numerical methods and program blocks containing specific initial conditions, boundary conditions and source terms for each problem. The package provides the the opportunity to expand the functionality of the package by adding new classes of problems, computational methods, initial and boundary conditions, as well as equations of state of matter. The numerical methods implemented in the software package were tested on test problems in one-dimensional, two-dimensional and three-dimensional geometry, which included Riemann's problems on the decay of an arbitrary discontinuity with different configurations of the exact solution.

Thin films on substrates are an important class of targets for nanomodification of surfaces in plasmonics or sensor applications. Many articles are devoted to this subject. Most of them, however, focus on the dynamics of the film itself, paying little attention to the substrate, considering it simply as an object that absorbs the first compression wave and does not affect the surface structures that arise as a result of irradiation. The paper describes in detail a computational experiment on the numerical simulation of the interaction of a single ultrashort laser pulse with a gold film deposited on a thick glass substrate. The uniform rectangular grid and the first-order Godunov numerical method were used. The presented results of calculations allowed to confirm the theory of the shock-wave mechanism of holes formation in the metal under femtosecond laser action for the case of a thin gold film with a thickness of about 50 nm on a thick glass substrate.