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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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Empirical testing of institutional matrices theory by data mining
Computer Research and Modeling, 2015, v. 7, no. 4, pp. 923-939The paper has a goal to identify a set of parameters of the environment and infrastructure with the most significant impact on institutional-matrices that dominate in different countries. Parameters of environmental conditions includes raw statistical indices, which were directly derived from the databases of open access, as well as complex integral indicators that were by method of principal components. Efficiency of discussed parameters in task of dominant institutional matrices type recognition (X or Y type) was evaluated by a number of methods based on machine learning. It was revealed that greatest informational content is associated with parameters characterizing risk of natural disasters, level of urbanization and the development of transport infrastructure, the monthly averages and seasonal variations of temperature and precipitation.
Keywords: institutional matrices theory, machine learning.Views (last year): 7. Citations: 13 (RSCI). -
Fuzzy knowledge extraction in the development of expert predictive diagnostic systems
Computer Research and Modeling, 2022, v. 14, no. 6, pp. 1395-1408Expert systems imitate professional experience and thinking process of a specialist to solve problems in various subject areas. An example of the problem that it is expedient to solve with the help of the expert system is the problem of forming a diagnosis that arises in technology, medicine, and other fields. When solving the diagnostic problem, it is necessary to anticipate the occurrence of critical or emergency situations in the future. They are situations, which require timely intervention of specialists to prevent critical aftermath. Fuzzy sets theory provides one of the approaches to solve ill-structured problems, diagnosis-making problems belong to which. The theory of fuzzy sets provides means for the formation of linguistic variables, which are helpful to describe the modeled process. Linguistic variables are elements of fuzzy logical rules that simulate the reasoning of professionals in the subject area. To develop fuzzy rules it is necessary to resort to a survey of experts. Knowledge engineers use experts’ opinion to evaluate correspondence between a typical current situation and the risk of emergency in the future. The result of knowledge extraction is a description of linguistic variables that includes a combination of signs. Experts are involved in the survey to create descriptions of linguistic variables and present a set of simulated situations.When building such systems, the main problem of the survey is laboriousness of the process of interaction of knowledge engineers with experts. The main reason is the multiplicity of questions the expert must answer. The paper represents reasoning of the method, which allows knowledge engineer to reduce the number of questions posed to the expert. The paper describes the experiments carried out to test the applicability of the proposed method. An expert system for predicting risk groups for neonatal pathologies and pregnancy pathologies using the proposed knowledge extraction method confirms the feasibility of the proposed approach.
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Boundary conditions for lattice Boltzmann equations in applications to hemodynamics
Computer Research and Modeling, 2020, v. 12, no. 4, pp. 865-882We consider a one-dimensional three velocity kinetic lattice Boltzmann model, which represents a secondorder difference scheme for hydrodynamic equations. In the framework of kinetic theory this system describes the propagation and interaction of three types of particles. It has been shown previously that the lattice Boltzmann model with external virtual force is equivalent at the hydrodynamic limit to the one-dimensional hemodynamic equations for elastic vessels, this equivalence can be achieved with use of the Chapman – Enskog expansion. The external force in the model is responsible for the ability to adjust the functional dependence between the lumen area of the vessel and the pressure applied to the wall of the vessel under consideration. Thus, the form of the external force allows to model various elastic properties of the vessels. In the present paper the physiological boundary conditions are considered at the inlets and outlets of the arterial network in terms of the lattice Boltzmann variables. We consider the following boundary conditions: for pressure and blood flow at the inlet of the vascular network, boundary conditions for pressure and blood flow for the vessel bifurcations, wave reflection conditions (correspond to complete occlusion of the vessel) and wave absorption at the ends of the vessels (these conditions correspond to the passage of the wave without distortion), as well as RCR-type conditions, which are similar to electrical circuits and consist of two resistors (corresponding to the impedance of the vessel, at the end of which the boundary conditions are set and the friction forces in microcirculatory bed) and one capacitor (describing the elastic properties of arterioles). The numerical simulations were performed: the propagation of blood in a network of three vessels was considered, the boundary conditions for the blood flow were set at the entrance of the network, RCR boundary conditions were stated at the ends of the network. The solutions to lattice Boltzmann model are compared with the benchmark solutions (based on numerical calculations for second-order McCormack difference scheme without viscous terms), it is shown that the both approaches give very similar results.
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Fuzzy modeling of human susceptibility to panic situations
Computer Research and Modeling, 2021, v. 13, no. 1, pp. 203-218The study of the mechanism for the development of mass panic in view of its extreme importance and social danger is an important scientific task. Available information about the mechanism of her development is based mainly on the work of psychologists and belongs to the category of inaccurate. Therefore, the theory of fuzzy sets has been chosen as a tool for developing a mathematical model of a person's susceptibility to panic situations. As a result of the study, an fuzzy model was developed, consisting of blocks: “Fuzzyfication”, where the degree of belonging of the values of the input parameters to fuzzy sets is calculated; “Inference” where, based on the degree of belonging of the input parameters, the resulting function of belonging of the output value to an odd model is calculated; “Defuzzyfication”, where using the center of gravity method, the only quantitative value of the output variable characterizing a person's susceptibility to panic situations is determined Since the real quantitative values for linguistic variables mental properties of a person are unknown, then to assess the quality of the developed model, without endangering people, it is not possible. Therefore, the quality of the results of fuzzy modeling was estimated by the calculated value of the determination coefficient R2, which showed that the developed fuzzy model belongs to the category of good quality models $(R^2 = 0.93)$, which confirms the legitimacy of the assumptions made during her development. In accordance with to the results of the simulation, human susceptibility to panic situations for sanguinics and cholerics can be attributed to “increased” (0.88), and for phlegmatics and melancholics — to “moderate” (0.38). This means that cholerics and sanguinics can become epicenters of panic and the initiators of stampede, and phlegmatics and melancholics — obstacles to evacuation routes. What should be taken into account when developing effective evacuation measures, the main task of which is to quickly and safely evacuate people from adverse conditions. In the approved methods, the calculation of normative values of safety parameters is based on simplified analytical models of human flow movement, because a large number of factors have to be taken into account, some of which are quantitatively uncertain. The obtained result in the form of quantitative estimates of a person's susceptibility to panic situations will increase the accuracy of calculations.
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Fuzzy modeling the mechanism of transmitting panic state among people with various temperament species
Computer Research and Modeling, 2021, v. 13, no. 5, pp. 1079-1092A mass congestion of people always represents a potential danger and threat for their lives. In addition, every year in the world a very large number of people die because of the crush, the main cause of which is mass panic. Therefore, the study of the phenomenon of mass panic in view of her extreme social danger is an important scientific task. Available information, about the processes of her occurrence and spread refers to the category inaccurate. Therefore, the theory of fuzzy sets has been chosen as a tool for developing a mathematical model of the mechanism of transmitting panic state among people with various temperament species.
When developing an fuzzy model, it was assumed that panic, from the epicenter of the shocking stimulus, spreads among people according to the wave principle, passing at different frequencies through different environments (types of human temperament), and is determined by the speed and intensity of the circular reaction of the mechanism of transmitting panic state among people. Therefore, the developed fuzzy model, along with two inputs, has two outputs — the speed and intensity of the circular reaction. In the block «Fuzzyfication», the degrees of membership of the numerical values of the input parameters to fuzzy sets are calculated. The «Inference» block at the input receives degrees of belonging for each input parameter and at the output determines the resulting function of belonging the speed of the circular reaction and her derivative, which is a function of belonging for the intensity of the circular reaction. In the «Defuzzyfication» block, using the center of gravity method, a quantitative value is determined for each output parameter. The quality assessment of the developed fuzzy model, carried out by calculating of the determination coefficient, showed that the developed mathematical model belongs to the category of good quality models.
The result obtained in the form of quantitative assessments of the circular reaction makes it possible to improve the quality of understanding of the mental processes occurring during the transmission of the panic state among people. In addition, this makes it possible to improve existing and develop new models of chaotic humans behaviors. Which are designed to develop effective solutions in crisis situations, aimed at full or partial prevention of the spread of mass panic, leading to the emergence of panic flight and the appearance of human casualties.
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Parameter identification of viscoelastic cell models based on force curves and wavelet transform
Computer Research and Modeling, 2023, v. 15, no. 6, pp. 1653-1672Mechanical properties of eukaryotic cells play an important role in life cycle conditions and in the development of pathological processes. In this paper we discuss the problem of parameters identification and verification of viscoelastic constitutive models based on force spectroscopy data of living cells. It is proposed to use one-dimensional continuous wavelet transform to calculate the relaxation function. Analytical calculations and the results of numerical simulation are given, which allow to obtain relaxation functions similar to each other on the basis of experimentally determined force curves and theoretical stress-strain relationships using wavelet differentiation algorithms. Test examples demonstrating correctness of software implementation of the proposed algorithms are analyzed. The cell models are considered, on the example of which the application of the proposed procedure of identification and verification of their parameters is demonstrated. Among them are a structural-mechanical model with parallel connected fractional elements, which is currently the most adequate in terms of compliance with atomic force microscopy data of a wide class of cells, and a new statistical-thermodynamic model, which is not inferior in descriptive capabilities to models with fractional derivatives, but has a clearer physical meaning. For the statistical-thermodynamic model, the procedure of its construction is described in detail, which includes the following. Introduction of a structural variable, the order parameter, to describe the orientation properties of the cell cytoskeleton. Setting and solving the statistical problem for the ensemble of actin filaments of a representative cell volume with respect to this variable. Establishment of the type of free energy depending on the order parameter, temperature and external load. It is also proposed to use an oriented-viscous-elastic body as a model of a representative element of the cell. Following the theory of linear thermodynamics, evolutionary equations describing the mechanical behavior of the representative volume of the cell are obtained, which satisfy the basic thermodynamic laws. The problem of optimizing the parameters of the statisticalthermodynamic model of the cell, which can be compared both with experimental data and with the results of simulations based on other mathematical models, is also posed and solved. The viscoelastic characteristics of cells are determined on the basis of comparison with literature data.
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Application of the Dynamic Mode Decomposition in search of unstable modes in laminar-turbulent transition problem
Computer Research and Modeling, 2023, v. 15, no. 4, pp. 1069-1090Laminar-turbulent transition is the subject of an active research related to improvement of economic efficiency of air vehicles, because in the turbulent boundary layer drag increases, which leads to higher fuel consumption. One of the directions of such research is the search for efficient methods, that can be used to find the position of the transition in space. Using this information about laminar-turbulent transition location when designing an aircraft, engineers can predict its performance and profitability at the initial stages of the project. Traditionally, $e^N$ method is applied to find the coordinates of a laminar-turbulent transition. It is a well known approach in industry. However, despite its widespread use, this method has a number of significant drawbacks, since it relies on parallel flow assumption, which limits the scenarios for its application, and also requires computationally expensive calculations in a wide range of frequencies and wave numbers. Alternatively, flow analysis can be done by using Dynamic Mode Decomposition, which allows one to analyze flow disturbances using flow data directly. Since Dynamic Mode Decomposition is a dimensionality reduction method, the number of computations can be dramatically reduced. Furthermore, usage of Dynamic Mode Decomposition expands the applicability of the whole method, due to the absence of assumptions about the parallel flow in its derivation.
The presented study proposes an approach to finding the location of a laminar-turbulent transition using the Dynamic Mode Decomposition method. The essence of this approach is to divide the boundary layer region into sets of subregions, for each of which the transition point is independently calculated, using Dynamic Mode Decomposition for flow analysis, after which the results are averaged to produce the final result. This approach is validated by laminar-turbulent transition predictions of subsonic and supersonic flows over a 2D flat plate with zero pressure gradient. The results demonstrate the fundamental applicability and high accuracy of the described method in a wide range of conditions. The study focuses on comparison with the $e^N$ method and proves the advantages of the proposed approach. It is shown that usage of Dynamic Mode Decomposition leads to significantly faster execution due to less intensive computations, while the accuracy is comparable to the such of the solution obtained with the $e^N$ method. This indicates the prospects for using the described approach in a real world applications.
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International Interdisciplinary Conference "Mathematics. Computing. Education"