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On the using the differential schemes to transport equation with drain in grid modeling
Computer Research and Modeling, 2020, v. 12, no. 5, pp. 1149-1164Modern power transportation systems are the complex engineering systems. Such systems include both point facilities (power producers, consumers, transformer substations, etc.) and the distributed elements (f.e. power lines). Such structures are presented in the form of the graphs with different types of nodes under creating the mathematical models. It is necessary to solve the system of partial differential equations of the hyperbolic type to study the dynamic effects in such systems.
An approach similar to one already applied in modeling similar problems earlier used in the work. New variant of the splitting method was used proposed by the authors. Unlike most known works, the splitting is not carried out according to physical processes (energy transport without dissipation, separately dissipative processes). We used splitting to the transport equations with the drain and the exchange between Reimann’s invariants. This splitting makes possible to construct the hybrid schemes for Riemann invariants with a high order of approximation and minimal dissipation error. An example of constructing such a hybrid differential scheme is described for a single-phase power line. The difference scheme proposed is based on the analysis of the properties of the schemes in the space of insufficient coefficients.
Examples of the model problem numerical solutions using the proposed splitting and the difference scheme are given. The results of the numerical calculations shows that the difference scheme allows to reproduce the arising regions of large gradients. It is shown that the difference schemes also allow detecting resonances in such the systems.
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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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Calculation of transverse wave speed in preloaded fibres under an impact
Computer Research and Modeling, 2022, v. 14, no. 4, pp. 887-897The paper considers the problem of transverse impact on a thin preloaded fiber. The commonly accepted theory of transverse impact on a thin fiber is based on the classical works of Rakhmatulin and Smith. The simple relations obtained from the Rakhmatulin – Smith theory are widely used in engineering practice. However, there are numerous evidences that experimental results may differ significantly from estimations based on these relations. A brief overview of the factors that cause the differences is given in this article.
This paper focuses on the shear wave velocity, as it is the only feature that can be directly observed and measured using high-speed cameras or similar methods. The influence of the fiber preload on the wave speed is considered. This factor is important, since it inevitably arises in the experimental results. The reliable fastening and precise positioning of the fiber during the experiments requires its preload. This work shows that the preload significantly affects the shear wave velocity in the impacted fiber.
Numerical calculations were performed for Kevlar 29 and Spectra 1000 yarns. Shear wave velocities are obtained for different levels of initial tension. A direct comparison of numerical results and analytical estimations with experimental data is presented. The speed of the transverse wave in free and preloaded fibers differed by a factor of two for the setup parameters considered. This fact demonstrates that measurements based on high-speed imaging and analysis of the observed shear waves should take into account the preload of the fibers.
This paper proposes a formula for a quick estimation of the shear wave velocity in preloaded fibers. The formula is obtained from the basic relations of the Rakhmatulin – Smith theory under the assumption of a large initial deformation of the fiber. The formula can give significantly better results than the classical approximation, this fact is demonstrated using the data for preloaded Kevlar 29 and Spectra 1000. The paper also shows that direct numerical calculation has better corresponding with the experimental data than any of the considered analytical estimations.
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Numerical simulation of fluid flow in a blood pump in the FlowVision software package
Computer Research and Modeling, 2023, v. 15, no. 4, pp. 1025-1038A numerical simulation of fluid flow in a blood pump was performed using the FlowVision software package. This test problem, provided by the Center for Devices and Radiological Health of the US. Food and Drug Administration, involved considering fluid flow according to several design modes. At the same time for each case of calculation a certain value of liquid flow rate and rotor speed was set. Necessary data for calculations in the form of exact geometry, flow conditions and fluid characteristics were provided to all research participants, who used different software packages for modeling. Numerical simulations were performed in FlowVision for six calculation modes with the Newtonian fluid and standard $k-\varepsilon$ turbulence model, in addition, the fifth mode with the $k-\omega$ SST turbulence model and with the Caro rheological fluid model were performed. In the first stage of the numerical simulation, the convergence over the mesh was investigated, on the basis of which a final mesh with a number of cells of the order of 6 million was chosen. Due to the large number of cells, in order to accelerate the study, part of the calculations was performed on the Lomonosov-2 cluster. As a result of numerical simulation, we obtained and analyzed values of pressure difference between inlet and outlet of the pump, velocity between rotor blades and in the area of diffuser, and also, we carried out visualization of velocity distribution in certain cross-sections. For all design modes there was compared the pressure difference received numerically with the experimental data, and for the fifth calculation mode there was also compared with the experiment by speed distribution between rotor blades and in the area of diffuser. Data analysis has shown good correlation of calculation results in FlowVision with experimental results and numerical simulation in other software packages. The results obtained in FlowVision for solving the US FDA test suggest that FlowVision software package can be used for solving a wide range of hemodynamic problems.
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Reduced mathematical model of blood coagulation taking into account thrombin activity switching as a basis for estimation of hemodynamic effects and its implementation in FlowVision package
Computer Research and Modeling, 2023, v. 15, no. 4, pp. 1039-1067The possibility of numerical 3D simulation of thrombi formation is considered.
The developed up to now detailed mathematical models describing formation of thrombi and clots include a great number of equations. Being implemented in a CFD code, the detailed mathematical models require essential computer resources for simulation of the thrombi growth in a blood flow. A reasonable alternative way is using reduced mathematical models. Two models based on the reduced mathematical model for the thrombin generation are described in the given paper.
The first model describes growth of a thrombus in a great vessel (artery). The artery flows are essentially unsteady. They are characterized by pulse waves. The blood velocity here is high compared to that in the vein tree. The reduced model for the thrombin generation and the thrombus growth in an artery is relatively simple. The processes accompanying the thrombin generation in arteries are well described by the zero-order approximation.
A vein flow is characterized lower velocity value, lower gradients, and lower shear stresses. In order to simulate the thrombin generation in veins, a more complex system of equations has to be solved. The model must allow for all the non-linear terms in the right-hand sides of the equations.
The simulation is carried out in the industrial software FlowVision.
The performed numerical investigations have shown the suitability of the reduced models for simulation of thrombin generation and thrombus growth. The calculations demonstrate formation of the recirculation zone behind a thrombus. The concentration of thrombin and the mass fraction of activated platelets are maximum here. Formation of such a zone causes slow growth of the thrombus downstream. At the upwind part of the thrombus, the concentration of activated platelets is low, and the upstream thrombus growth is negligible.
When the blood flow variation during a hart cycle is taken into account, the thrombus growth proceeds substantially slower compared to the results obtained under the assumption of constant (averaged over a hard cycle) conditions. Thrombin and activated platelets produced during diastole are quickly carried away by the blood flow during systole. Account of non-Newtonian rheology of blood noticeably affects the results.
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Water consumption control model for regions with low water availability
Computer Research and Modeling, 2023, v. 15, no. 5, pp. 1395-1410This paper considers the problem of water consumption in the regions of Russia with low water availability. We provide a review of the existing methods to control quality and quantity of water resources at different scales — from households to worldwide. The paper itself considers regions with low “water availability” parameter which is amount of water per person per year. Special attention is paid to the regions, where this parameter is low because of natural features of the region, not because of high population. In such regions many resources are spend on water processing infrastructure to store water and transport water from other regions. In such regions the main water consumers are industry and agriculture.
We propose dynamic two-level hierarchical model which matches water consumption of a region with its gross regional product. On the top level there is a regional administration (supervisor) and on the lower level there are region enterprises (agents). The supervisor sets fees for water consumption. We study the model with Pontryagin’s maximum principle and provide agents’s optimal control in analytical form. For the supervisor’s control we provide numerical algorithm. The model has six free coefficients, which can be chosen so the model represents a particular region. We use data from Russia Federal State Statistics Service for identification process of a model. For numerical analysis we use trust region reflective algorithms. We provide calculations for a few regions with low water availability. It is shown that it is possible to reduce water consumption of a region more than by 20% while gross regional product drop is less than 10%.
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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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Molecular dynamics study of the effect of mutations in the tropomyosin molecule on the properties of thin filaments of the heart muscle
Computer Research and Modeling, 2024, v. 16, no. 2, pp. 513-524Muscle contraction is controlled by Ca2+ ions via regulatory proteins, troponin and tropomyosin, associated with thin actin filaments in sarcomeres. Depending on the Ca2+ concentration, the thin filament rearranges so that tropomyosin moves along its surface, opening or closing access to actin for the motor domains of myosin molecules, and causing contraction or relaxation, respectively. Numerous point amino acid substitutions in tropomyosin are known, leading to genetic pathologies — myo- and cardiomyopathies caused by changes in the structural and functional properties of the thin filament. The results of molecular dynamics modeling of a fragment of a thin filament of cardiac muscle sarcomeres formed by fibrillar actin and wildtype tropomyosin or with amino acid substitutions: the double stabilizing substitution D137L/G126R and the cardiomyopathic substitution S215L are presented. For numerical calculations, we used a new model of a thin filament fragment containing 26 actin monomers and 4 tropomyosin dimers, with a refined structure of the region of overlap of neighboring tropomyosin molecules in each of the two tropomyosin strands. The simulation results showed that tropomyosin significantly increases the bending stiffness of the thin filament, as previously found experimentally. The double stabilizing replacement D137L/G126R leads to a further increase in this rigidity, and the replacement S215L, on the contrary, leads to its decrease, which also corresponds to experimental data. At the same time, these substitutions have different effects on the angular mobility of the actin helix and only slightly modulate the angular mobility of tropomyosin cables relative to the actin helix and the population of hydrogen bonds between negatively charged tropomyosin residues and positively charged actin residues. The results of the verification of the new model demonstrate that its quality is sufficient for the numerical study of the effect of single amino acid substitutions on the structure and dynamics of thin filaments and study the effects leading to dysregulation of muscle contraction. This model can be used as a useful tool for elucidating the molecular mechanisms of some genetic diseases and assessing the pathogenicity of newly discovered genetic variants.
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Modeling the number of employed, unemployed and economically inactive population in the Russian Far East
Computer Research and Modeling, 2021, v. 13, no. 1, pp. 251-264Studies of the crisis socio-demographic situation in the Russian Far East require not only the use of traditional statistical methods, but also a conceptual analysis of possible development scenarios based on the synergy principles. The article is devoted to the analysis and modeling of the number of employed, unemployed and economically inactive population using nonlinear autonomous differential equations. We studied a basic mathematical model that takes into account the principle of pair interactions, which is a special case of the model for the struggle between conditional information of D. S. Chernavsky. The point estimates for the parameters are found using least squares method adapted for this model. The average approximation error was no more than 5.17%. The calculated parameter values correspond to the unstable focus and the oscillations with increasing amplitude of population number in the asymptotic case, which indicates a gradual increase in disparities between the employed, unemployed and economically inactive population and a collapse of their dynamics. We found that in the parametric space, not far from the inertial scenario, there are domains of blow-up and chaotic regimes complicating the ability to effectively manage. The numerical study showed that a change in only one model parameter (e.g. migration) without complex structural socio-economic changes can only delay the collapse of the dynamics in the long term or leads to the emergence of unpredictable chaotic regimes. We found an additional set of the model parameters corresponding to sustainable dynamics (stable focus) which approximates well the time series of the considered population groups. In the mathematical model, the bifurcation parameters are the outflow rate of the able-bodied population, the fertility (“rejuvenation of the population”), as well as the migration inflow rate of the unemployed. We found that the transition to stable regimes is possible with the simultaneous impact on several parameters which requires a comprehensive set of measures to consolidate the population in the Russian Far East and increase the level of income in terms of compensation for infrastructure sparseness. Further economic and sociological research is required to develop specific state policy measures.
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Using extended ODE systems to investigate the mathematical model of the blood coagulation
Computer Research and Modeling, 2022, v. 14, no. 4, pp. 931-951Many properties of ordinary differential equations systems solutions are determined by the properties of the equations in variations. An ODE system, which includes both the original nonlinear system and the equations in variations, will be called an extended system further. When studying the properties of the Cauchy problem for the systems of ordinary differential equations, the transition to extended systems allows one to study many subtle properties of solutions. For example, the transition to the extended system allows one to increase the order of approximation for numerical methods, gives the approaches to constructing a sensitivity function without using numerical differentiation procedures, allows to use methods of increased convergence order for the inverse problem solution. Authors used the Broyden method belonging to the class of quasi-Newtonian methods. The Rosenbroke method with complex coefficients was used to solve the stiff systems of the ordinary differential equations. In our case, it is equivalent to the second order approximation method for the extended system.
As an example of the proposed approach, several related mathematical models of the blood coagulation process were considered. Based on the analysis of the numerical calculations results, the conclusion was drawn that it is necessary to include a description of the factor XI positive feedback loop in the model equations system. Estimates of some reaction constants based on the numerical inverse problem solution were given.
Effect of factor V release on platelet activation was considered. The modification of the mathematical model allowed to achieve quantitative correspondence in the dynamics of the thrombin production with experimental data for an artificial system. Based on the sensitivity analysis, the hypothesis tested that there is no influence of the lipid membrane composition (the number of sites for various factors of the clotting system, except for thrombin sites) on the dynamics of the process.
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