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Computer and physical-chemical modeling of the evolution of a fractal corrosion front
Computer Research and Modeling, 2021, v. 13, no. 1, pp. 105-124Corrosion damage to metals and alloys is one of the main problems of strength and durability of metal structures and products operated in contact with chemically aggressive environments. Recently, there has been a growing interest in computer modeling of the evolution of corrosion damage, especially pitting corrosion, for a deeper understanding of the corrosion process, its impact on the morphology, physical and chemical properties of the surface and mechanical strength of the material. This is mainly due to the complexity of analytical and high cost of experimental in situ studies of real corrosion processes. However, the computing power of modern computers allows you to calculate corrosion with high accuracy only on relatively small areas of the surface. Therefore, the development of new mathematical models that allow calculating large areas for predicting the evolution of corrosion damage to metals is currently an urgent problem.
In this paper, the evolution of the corrosion front in the interaction of a polycrystalline metal surface with a liquid aggressive medium was studied using a computer model based on a cellular automat. A distinctive feature of the model is the specification of the solid body structure in the form of Voronoi polygons used for modeling polycrystalline alloys. Corrosion destruction was performed by setting the probability function of the transition between cells of the cellular automaton. It was taken into account that the corrosion strength of the grains varies due to crystallographic anisotropy. It is shown that this leads to the formation of a rough phase boundary during the corrosion process. Reducing the concentration of active particles in a solution of an aggressive medium during a chemical reaction leads to corrosion attenuation in a finite number of calculation iterations. It is established that the final morphology of the phase boundary has a fractal structure with a dimension of 1.323 ± 0.002 close to the dimension of the gradient percolation front, which is in good agreement with the fractal dimension of the etching front of a polycrystalline aluminum-magnesium alloy AlMg6 with a concentrated solution of hydrochloric acid. It is shown that corrosion of a polycrystalline metal in a liquid aggressive medium is a new example of a topochemical process, the kinetics of which is described by the Kolmogorov–Johnson– Meil–Avrami theory.
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Physical research and numerical modeling of the lower ionosphere perturbed by powerful radio emission. Part 1. Brief review and problem statement
Computer Research and Modeling, 2023, v. 15, no. 3, pp. 619-637The main aim, formulated in the first part of article, is to carry out detailed numerical studies of the chemical, ionization, optical, and temperature characteristics of the lower ionosphere perturbed by powerful radio emission. The brief review of the main experimental and theoretical researches of physical phenomena occurring in the ionosphere when it is heated by high-power high-frequency radio waves from heating facilities is given. The decisive role of the $D$-region of the ionosphere in the absorption of radio beam energy is shown. A detailed analysis of kinetic processes in the disturbed $D$-region, which is the most complex in kinetic terms, has been performed. It is shown that for a complete description of the ionization-chemical and optical characteristics of the disturbed region, it is necessary to take into account more than 70 components, which, according to their main physical content, can be conveniently divided into five groups. A kinetic model is presented to describe changes in the concentrations of components interacting (the total number of reactions is 259). The system of kinetic equations was solved using a semi-implicit numerical method specially adapted to such problems. Based on the proposed structure, a software package was developed in which the algorithm scheme allowed changing both the content of individual program blocks and their number, which made it possible to conduct detailed numerical studies of individual processes in the behavior of the parameters of the perturbed region. The complete numerical algorithm is based on the two-temperature approximation, in which the main attention was paid to the calculation of the electron temperature, since its behavior is determined by inelastic kinetic processes involving electrons. The formulation of the problem is of a rather general nature and makes it possible to calculate the parameters of the disturbed ionosphere in a wide range of powers and frequencies of radio emission. Based on the developed numerical technique, it is possible to study a wide range of phenomena both in the natural and disturbed ionosphere.
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Numerical modeling of the occurrence of a stress peak during the reflection of a shock wave pulse from a granular porous medium
Computer Research and Modeling, 2026, v. 18, no. 2, pp. 359-375The study of elastic waves in porous media is relevant for mineral exploration, the use of porous screens for shock wave damping, and the study of the structure of the earth’s crust. The elastic properties of a porous medium, which can be judged by the propagation velocity of various types of waves, depend on the degree of consolidation of the porous medium. For example, bulk media (sand, glass beads, granular materials) have a low sound velocity (about 100 m/s); compaction of such media is accompanied by a slight increase in velocity, while their consolidation (sandstone, gas hydrate cementation) leads to a multiple increase in the acoustic wave velocity, on the order of 2000–3000 m/s. This paper theoretically investigates the dynamics of a wave pulse in a shock tube containing a layer of a bulk medium. Numerical modeling was performed under experimental conditions. A description of a shock tube experimental setup is provided. The setup consists of a high-pressure volume (HPV), a low-pressure volume (LPV), and a bulk medium section. A shock wave pulse (SWP) is generated by the rupture of a diaphragm between the HPV and LPV. The SWP dynamics are recorded by piezoelectric sensors located flush on the inside of the tube. In the shock tube, equipped with a bulk medium section, the wave experiences multiple reflections from the surface of the porous medium under study and the upper end of the tube. The reflected signals are used as probe pulses to study changes in the porous medium caused by repeated passages of the shock wave pulse, with a period of approximately 10 ms. A mathematical model is used that includes the equations of conservation of mass, momentum, and energy for the gas phase and solid particles with closure relations. The process is described for one-dimensional planar motion of the gas and dispersed phases. The numerical solution utilizes an approximation of the equations based on the control volume method. Numerical results have shown that the proposed model accurately describes, qualitatively and quantitatively, the occurrence of a sharp, short-term increase in the total voltage (peak) during repeated pulse passage through a layer of bulk material, as observed in experiments.
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Exciton interaction of the chromophores — a tool to fine-tune the mechanism of non-photochemical quenching of phycobilisome in cyanobacteria
Computer Research and Modeling, 2015, v. 7, no. 1, pp. 125-144Views (last year): 2. Citations: 2 (RSCI).It was carried out a theoretical analysis of the energy migration rate in the process of non-photochemical quenching of fluorescence pigment-protein complex that performed by means of orange carotenoid-protein in the phycobilisomes of cyanobacteria. It is shown that the observed rate of energy transfer can not be interpreted in the framework of inductive-resonant mechanism of energy migration (Förster’s theory). On the contrary, according to the calculations the implementation of the exciton mechanism is fully consistent with the experimentally observed high quenching rate. An essential feature of the implementation of the exciton mechanism is to comply with a number of structural and functional conditions that require fine-tuning of the molecular system in the interaction of donor and acceptor molecules both each other and with the local molecular environment.
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Mathematical model of the biometric iris recognition system
Computer Research and Modeling, 2020, v. 12, no. 3, pp. 629-639Automatic recognition of personal identity by biometric features is based on unique peculiarities or characteristics of people. Biometric identification process consist in making of reference templates and comparison with new input data. Iris pattern recognition algorithms presents high accuracy and low identification errors percent on practice. Iris pattern advantages over other biometric features are determined by its high degree of freedom (nearly 249), excessive density of unique features and constancy. High recognition reliability level is very important because it provides search in big databases. Unlike one-to-one check mode that is applicable only to small calculation count it allows to work in one-to-many identification mode. Every biometric identification system appears to be probabilistic and qualitative characteristics description utilizes such parameters as: recognition accuracy, false acceptance rate and false rejection rate. These characteristics allows to compare identity recognition methods and asses the system performance under any circumstances. This article explains the mathematical model of iris pattern biometric identification and its characteristics. Besides, there are analyzed results of comparison of model and real recognition process. To make such analysis there was carried out the review of existing iris pattern recognition methods based on different unique features vector. The Python-based software package is described below. It builds-up probabilistic distributions and generates large test data sets. Such data sets can be also used to educate the identification decision making neural network. Furthermore, synergy algorithm of several iris pattern identification methods was suggested to increase qualitative characteristics of system in comparison with the use of each method separately.
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Mathematical and computational problems associated with the formation of structures in complex systems
Computer Research and Modeling, 2022, v. 14, no. 4, pp. 805-815In this paper, the system of equations of magnetic hydrodynamics (MHD) is considered. The exact solutions found describe fluid flows in a porous medium and are related to the development of a core simulator and are aimed at creating a domestic technology «digital deposit» and the tasks of controlling the parameters of incompressible fluid. The central problem associated with the use of computer technology is large-dimensional grid approximations and high-performance supercomputers with a large number of parallel microprocessors. Kinetic methods for solving differential equations and methods for «gluing» exact solutions on coarse grids are being developed as possible alternatives to large-dimensional grid approximations. A comparative analysis of the efficiency of computing systems allows us to conclude that it is necessary to develop the organization of calculations based on integer arithmetic in combination with universal approximate methods. A class of exact solutions of the Navier – Stokes system is proposed, describing three-dimensional flows for an incompressible fluid, as well as exact solutions of nonstationary three-dimensional magnetic hydrodynamics. These solutions are important for practical problems of controlled dynamics of mineralized fluids, as well as for creating test libraries for verification of approximate methods. A number of phenomena associated with the formation of macroscopic structures due to the high intensity of interaction of elements of spatially homogeneous systems, as well as their occurrence due to linear spatial transfer in spatially inhomogeneous systems, are highlighted. It is fundamental that the emergence of structures is a consequence of the discontinuity of operators in the norms of conservation laws. The most developed and universal is the theory of computational methods for linear problems. Therefore, from this point of view, the procedures of «immersion» of nonlinear problems into general linear classes by changing the initial dimension of the description and expanding the functional spaces are important. Identification of functional solutions with functions makes it possible to calculate integral averages of an unknown, but at the same time its nonlinear superpositions, generally speaking, are not weak limits of nonlinear superpositions of approximations of the method, i.e. there are functional solutions that are not generalized in the sense of S. L. Sobolev.
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Mathematical model of respiratory regulation during hypoxia and hypercapnia
Computer Research and Modeling, 2017, v. 9, no. 2, pp. 297-310Views (last year): 16.Transport of respiratory gases by respiratory and circulatory systems is one of the most important processes associated with living conditions of the human body. Significant and/or long-term deviations of oxygen and carbon dioxide concentrations from the normal values in blood can be a reason of significant pathological changes with irreversible consequences: lack of oxygen (hypoxia and ischemic events), the change in the acidbase balance of blood (acidosis or alkalosis), and others. In the context of a changing external environment and internal conditions of the body the action of its regulatory systems aimed at maintaining homeostasis. One of the major mechanisms for maintaining concentrations (partial pressures) of oxygen and carbon dioxide in the blood at a normal level is the regulation of minute ventilation, respiratory rate and depth of respiration, which is caused by the activity of the central and peripheral regulators.
In this paper we propose a mathematical model of the regulation of pulmonary ventilation parameter. The model is used to calculate the minute ventilation adaptation during hypoxia and hypercapnia. The model is developed using a single-component model of the lungs, and biochemical equilibrium conditions of oxygen and carbon dioxide in the blood and the alveolar lung volume. A comparison with laboratory data is performed during hypoxia and hypercapnia. Analysis of the results shows that the model reproduces the dynamics of minute ventilation during hypercapnia with sufficient accuracy. Another result is that more accurate model of regulation of minute ventilation during hypoxia should be developed. The factors preventing from satisfactory accuracy are analysed in the final section.
Respiratory function is one of the main limiting factors of the organism during intense physical activities. Thus, it is important characteristic of high performance sport and extreme physical activity conditions. Therefore, the results of this study have significant application value in the field of mathematical modeling in sport. The considered conditions of hypoxia and hypercapnia are partly reproduce training at high altitude and at hypoxia conditions. The purpose of these conditions is to increase the level of hemoglobin in the blood of highly qualified athletes. These conditions are the only admitted by sport committees.
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High-throughput identification of hydride phase-change kinetics models
Computer Research and Modeling, 2020, v. 12, no. 1, pp. 171-183Metal 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.
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Physical analysis and mathematical modeling of the parameters of explosion region produced in a rarefied ionosphere
Computer Research and Modeling, 2022, v. 14, no. 4, pp. 817-833The paper presents a physical and numerical analysis of the dynamics and radiation of explosion products formed during the Russian-American experiment in the ionosphere using an explosive generator based on hexogen (RDX) and trinitrotoluene (TNT). The main attention is paid to the radiation of the perturbed region and the dynamics of the products of explosion (PE). The detailed chemical composition of the explosion products is analyzed and the initial concentrations of the most important molecules capable of emitting in the infrared range of the spectrum are determined, and their radiative constants are given. The initial temperature of the explosion products and the adiabatic exponent are determined. The nature of the interpenetration of atoms and molecules of a highly rarefied ionosphere into a spherically expanding cloud of products is analyzed. An approximate mathematical model of the dynamics of explosion products under conditions of mixing rarefied ionospheric air with them has been developed and the main thermodynamic characteristics of the system have been calculated. It is shown that for a time of 0,3–3 sec there is a significant increase in the temperature of the scattering mixture as a result of its deceleration. In the problem under consideration the explosion products and the background gas are separated by a contact boundary. To solve this two-region gas dynamic problem a numerical algorithm based on the Lagrangian approach was developed. It was necessary to fulfill special conditions at the contact boundary during its movement in a stationary gas. In this case there are certain difficulties in describing the parameters of the explosion products near the contact boundary which is associated with a large difference in the size of the mass cells of the explosion products and the background due to a density difference of 13 orders of magnitude. To reduce the calculation time of this problem an irregular calculation grid was used in the area of explosion products. Calculations were performed with different adiabatic exponents. The most important result is temperature. It is in good agreement with the results obtained by the method that approximately takes into account interpenetration. The time behavior of the IR emission coefficients of active molecules in a wide range of the spectrum is obtained. This behavior is qualitatively consistent with experiments for the IR glow of flying explosion products.
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Motion control by a highly maneuverable mobile robot in the task of following an object
Computer Research and Modeling, 2023, v. 15, no. 5, pp. 1301-1321This article is devoted to the development of an algorithm for trajectory control of a highly maneuverable four-wheeled robotic transport platform equipped with mecanum wheels, in order to organize its movement behind some moving object. The calculation of the kinematic ratios of this platform in a fixed coordinate system is presented, which is necessary to determine the angular velocities of the robot wheels depending on a given velocity vector. An algorithm has been developed for the robot to follow a mobile object on a plane without obstacles based on the use of a modified chase method using different types of control functions. The chase method consists in the fact that the velocity vector of the geometric center of the platform is co-directed with the vector connecting the geometric center of the platform and the moving object. Two types of control functions are implemented: piecewise and constant. The piecewise function means control with switching modes depending on the distance from the robot to the target. The main feature of the piecewise function is a smooth change in the robot’s speed. Also, the control functions are divided according to the nature of behavior when the robot approaches the target. When using one of the piecewise functions, the robot’s movement slows down when a certain distance between the robot and the target is reached and stops completely at a critical distance. Another type of behavior when approaching the target is to change the direction of the velocity vector to the opposite, if the distance between the platform and the object is the minimum allowable, which avoids collisions when the target moves in the direction of the robot. This type of behavior when approaching the goal is implemented for a piecewise and constant function. Numerical simulation of the robot control algorithm for various control functions in the task of chasing a target, where the target moves in a circle, is performed. The pseudocode of the control algorithm and control functions is presented. Graphs of the robot’s trajectory when moving behind the target, speed changes, changes in the angular velocities of the wheels from time to time for various control functions are shown.
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