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Simulation of pollution migration processes at municipal solid waste landfills
Computer Research and Modeling, 2020, v. 12, no. 2, pp. 369-385The article reports the findings of an investigation into pollution migration processes at the municipal solid waste (MSW) landfill located in the water protection zone of Lake Seliger (Tver Region). The distribution of pollutants is investigated and migration parameters are determined in field and laboratory conditions at the landfill site. A mathematical model describing physical and chemical processes of substance migration in soil strata is constructed. Pollutant migration is found to be due to a variety of factors. The major ones, having a significant impact on the migration of MSW ingredients and taken into account mathematically, include convective transport, diffusion and sorption processes. A modified mathematical model differs from its conventional counterparts by considering a number of parameters reflecting the decrease in the concentration of ammonium and nitrate nitrogen ions in ground water (transpiration by plant roots, dilution with infiltration waters, etc.). An analytical solution to assess the pollutant spread from the landfill is presented. The mathematical model provides a set of simulation models helping to obtain a computational solution of specific problems, vertical and horizontal migration of substances in the underground flow. Numerical experiments, analytical solutions, as well as field and laboratory data was studied the dynamics of pollutant distribution in the object under study up to the lake. A long-term forecast for the spread of landfill pollution is made. Simulation experiments showed that some zones of clean groundwater interact with those of contaminated groundwater during the pollution migration from the landfill, each characterized by a different pollutant content. The data of a computational experiments and analytical calculations are consistent with the findings of field and laboratory investigations of the object and give grounds to recommend the proposed models for predicting pollution migration from a landfill. The analysis of the pollution migration simulation allows to substantiate the numerical estimates of the increase in $NH_4^+$ and $NO_3^-$ ion concentration with the landfill operation time. It is found that, after 100 years following the landfill opening, toxic filtrate components will fill the entire pore space from the landfill to the lake resulting in a significant deterioration of the ecosystem of Lake Seliger.
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Proof of the connection between the Backman model with degenerate cost functions and the model of stable dynamics
Computer Research and Modeling, 2022, v. 14, no. 2, pp. 335-342Since 1950s the field of city transport modelling has progressed rapidly. The first equilibrium distribution models of traffic flow appeared. The most popular model (which is still being widely used) was the Beckmann model, based on the two Wardrop principles. The core of the model could be briefly described as the search for the Nash equilibrium in a population demand game, in which losses of agents (drivers) are calculated based on the chosen path and demands of this path with correspondences being fixed. The demands (costs) of a path are calculated as the sum of the demands of different path segments (graph edges), that are included in the path. The costs of an edge (edge travel time) are determined by the amount of traffic on this edge (more traffic means larger travel time). The flow on a graph edge is determined by the sum of flows over all paths passing through the given edge. Thus, the cost of traveling along a path is determined not only by the choice of the path, but also by the paths other drivers have chosen. Thus, it is a standard game theory task. The way cost functions are constructed allows us to narrow the search for equilibrium to solving an optimization problem (game is potential in this case). If the cost functions are monotone and non-decreasing, the optimization problem is convex. Actually, different assumptions about the cost functions form different models. The most popular model is based on the BPR cost function. Such functions are massively used in calculations of real cities. However, in the beginning of the XXI century, Yu. E. Nesterov and A. de Palma showed that Beckmann-type models have serious weak points. Those could be fixed using the stable dynamics model, as it was called by the authors. The search for equilibrium here could be also reduced to an optimization problem, moreover, the problem of linear programming. In 2013, A.V.Gasnikov discovered that the stable dynamics model can be obtained by a passage to the limit in the Beckmann model. However, it was made only for several practically important, but still special cases. Generally, the question if this passage to the limit is possible remains open. In this paper, we provide the justification of the possibility of the above-mentioned passage to the limit in the general case, when the cost function for traveling along the edge as a function of the flow along the edge degenerates into a function equal to fixed costs until the capacity is reached and it is equal to plus infinity when the capacity is exceeded.
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Mathematical modeling the kinetics and calculation of dosimetric characteristics of osteotropic radiopharmaceutical drugs
Computer Research and Modeling, 2022, v. 14, no. 3, pp. 647-660In Russian medicine two radiopharmaceuticals are currently used for radionuclide therapy of bone metastases: 89Sr-chloride and 153Sm-oxabifor. The first one has many side effects, so its use is limited. The second one is available only in clinics, its transportation to which does not take much time. Currently, the third radiopharmaceutical 188Re-solerene is undergoing clinical trials. Due to the generator method of obtaining 188Re, this radiopharmaceutical should become available for use in many regions of our country. Therefore, there is a need for a comparative analysis of the characteristics of these radiopharmaceuticals, including on the basis of mathematical modeling.
The article discusses the features of mathematical modeling the kinetics of osteotropic radiopharmaceutical drugs in the human body with bone metastases. Based on the four-compartment model, a complex of modeling and calculation of pharmacokinetic and dosimetric characteristics of radiopharmaceuticals for radionuclide therapy of bone metastases was developed and tested. Using clinical data, the transport constants of the model were identified and the individual characteristics of Russian radiopharmaceuticals labeled 89Sr, 153Sm and 188Re were calculated (effective half-lives, maximum activity in the compartments and the times of their achievement, absorbed doses to bone tissue and metastases, endosteal bone layer, red bone marrow, blood, kidneys and bladder). The time activity dependencies for all compartments of the model are obtained and analyzed. A comparative analysis of the pharmacokinetics and dosimetry of three radiopharmaceuticals (89Sr-chloride, 153Sm-oxabiphore, 188Re-solerene) was carried out.
From a comparative analysis of the pharmacokinetic and dosimetric characteristics of these radiopharmaceutical drugs, it follows that the best of them for widespread use in many regions of our country should be 188Re-solerene, taking into account the generator method of obtaining 188Re in a hospital.
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Simulation of spin wave amplification using the method of characteristics to the transport equation
Computer Research and Modeling, 2022, v. 14, no. 4, pp. 795-803The paper presents an analysis of the nonlinear equation of spin wave transport by the method of characteristics. The conclusion of a new mathematical model of spin wave propagation is presented for the solution of which the characteristic is applied. The behavior analysis of the behavior of the real and imaginary parts of the wave and its amplitude is performed. The phase portraits demonstrate the dependence of the desired function on the nonlinearity coefficient. It is established that the real and imaginary parts of the wave oscillate by studying the nature of the evolution of the initial wave profile by the phase plane method. The transition of trajectories from an unstable focus to a limiting cycle, which corresponds to the oscillation of the real and imaginary parts, is shown. For the amplitude of the wave, such a transition is characterized by its amplification or attenuation (depending on the nonlinearity coefficient and the chosen initial conditions) up to a certain threshold value. It is shown that the time of the transition process from amplification (attenuation) to stabilization of the amplitude also depends on the nonlinearity parameter. It was found out that at the interval of amplification of the amplitude of the spin wave, the time of the transition process decreases, and lower amplitude values correspond to higher parameters of nonlinearity.
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Investigation of complex formation of flavodoxin and photosystem 1 by means of direct multiparticle computer simulation
Computer Research and Modeling, 2009, v. 1, no. 1, pp. 85-91Views (last year): 4. Citations: 2 (RSCI).Kinetics of complex formation between components of the photosynthetic electron transport chain — flavodoxin and membrane complex photosystem I has been studied using computer model based on methods of multiparticle simulation and Brownian dynamics. We simulated Brownian motion of several hundreds of flavodoxin molecules, taking into account electrostatic interactions and complex shape of the molecules. Our model could describe experimental nonmonotonic dependence of the association rate constant for flavodoxin and photosystem I. This lets us conclude that electrostatic interactions are sufficient to form such kind of nonmonotonic dependence.
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Molecular-dynamic simulation of water vapor interaction with suffering pores of the cylindrical type
Computer Research and Modeling, 2019, v. 11, no. 3, pp. 493-501Views (last year): 9.Theoretical and experimental investigations of water vapor interaction with porous materials are carried out both at the macro level and at the micro level. At the macro level, the influence of the arrangement structure of individual pores on the processes of water vapor interaction with porous material as a continuous medium is studied. At the micro level, it is very interesting to investigate the dependence of the characteristics of the water vapor interaction with porous media on the geometry and dimensions of the individual pore.
In this paper, a study was carried out by means of mathematical modelling of the processes of water vapor interaction with suffering pore of the cylindrical type. The calculations were performed using a model of a hybrid type combining a molecular-dynamic and a macro-diffusion approach for describing water vapor interaction with an individual pore. The processes of evolution to the state of thermodynamic equilibrium of macroscopic characteristics of the system such as temperature, density, and pressure, depending on external conditions with respect to pore, were explored. The dependence of the evolution parameters on the distribution of the diffusion coefficient in the pore, obtained as a result of molecular dynamics modelling, is examined. The relevance of these studies is due to the fact that all methods and programs used for the modelling of the moisture and heat conductivity are based on the use of transport equations in a porous material as a continuous medium with known values of the transport coefficients, which are usually obtained experimentally.
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Mathematical modelling of tensegrity robots with rigid rods
Computer Research and Modeling, 2020, v. 12, no. 4, pp. 821-830In this paper, we address the mathematical modeling of robots based on tensegrity structures. The pivotal property of such structures is the forming elements working only for compression or tension, which allows the use of materials and structural solutions that minimize the weight of the structure while maintaining its strength.
Tensegrity structures hold several properties important for collaborative robotics, exploration and motion tasks in non-deterministic environments: natural compliance, compactness for transportation, low weight with significant impact resistance and rigidity. The control of such structures remains an open research problem, which is associated with the complexity of describing the dynamics of such structures.
We formulate an approach for describing the dynamics of such structures, based on second-order dynamics of the Cartesian coordinates of structure elements (rods), first-order dynamics for angular velocities of rods, and first-order dynamics for quaternions that are used to describe the orientation of rods. We propose a numerical method for solving these dynamic equations. The proposed methods are implemented in the form of a freely distributed mathematical package with open source code.
Further, we show how the provided software package can be used for modeling the dynamics and determining the operating modes of tensegrity structures. We present an example of a tensegrity structure moving in zero gravity with three rigid rods and nine elastic elements working in tension (cables), showing the features of the dynamics of the structure in reaching the equilibrium position. The range of initial conditions for which the structure operates in the normal mode is determined. The results can be directly used to analyze the nature of passive dynamic movements of the robots based on a three-link tensegrity structure, considered in the paper; the proposed modeling methods and the developed software are suitable for modeling a significant variety of tensegrity robots.
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Simulation of lightning initiation on the basis of dynamical grap
Computer Research and Modeling, 2021, v. 13, no. 1, pp. 125-147Despite numerous achievements of modern science the problem of lightning initiation in an electrodeless thundercloud, the maximum electric field strength inside which is approximately an order of magnitude lower than the dielectric strength of air, remains unsolved. Although there is no doubt that discharge activity begins with the appearance of positive streamers, which can develop under approximately half the threshold electric field as compared to negative ones, it remains unexplored how cold weakly conducting streamer systems unite in a joint hot well-conducting leader channel capable of self-propagation due to effective polarization in a relatively small external field. In this study, we present a self-organizing transport model which is applied to the case of electric discharge tree formation in a thundercloud. So, the model is aimed at numerical simulation of the initial stage of lightning discharge development. Among the innovative features of the model are the absence of grid spacing, high spatiotemporal resolution, and consideration of temporal evolution of electrical parameters of transport channels. The model takes into account the widely known asymmetry between threshold fields needed for positive and negative streamers development. In our model, the resulting well-conducting leader channel forms due to collective effect of combining the currents of tens of thousands of interacting streamer channels each of which initially has negligible conductivity and temperature that does not differ from the ambient one. The model bipolar tree is a directed graph (it has both positive and negative parts). It has morphological and electrodynamic characteristics which are intermediate between laboratory long spark and developed lightning. The model has universal character which allows to use it in other tasks related to the study of transport (in the broad sense of the word) networks.
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Technology for collecting initial data for constructing models for assessing the functional state of a human by pupil's response to illumination changes in the solution of some problems of transport safety
Computer Research and Modeling, 2021, v. 13, no. 2, pp. 417-427This article solves the problem of developing a technology for collecting initial data for building models for assessing the functional state of a person. This condition is assessed by the pupil response of a person to a change in illumination based on the pupillometry method. This method involves the collection and analysis of initial data (pupillograms), presented in the form of time series characterizing the dynamics of changes in the human pupils to a light impulse effect. The drawbacks of the traditional approach to the collection of initial data using the methods of computer vision and smoothing of time series are analyzed. Attention is focused on the importance of the quality of the initial data for the construction of adequate mathematical models. The need for manual marking of the iris and pupil circles is updated to improve the accuracy and quality of the initial data. The stages of the proposed technology for collecting initial data are described. An example of the obtained pupillogram is given, which has a smooth shape and does not contain outliers, noise, anomalies and missing values. Based on the presented technology, a software and hardware complex has been developed, which is a collection of special software with two main modules, and hardware implemented on the basis of a Raspberry Pi 4 Model B microcomputer, with peripheral equipment that implements the specified functionality. To evaluate the effectiveness of the developed technology, models of a single-layer perspetron and a collective of neural networks are used, for the construction of which the initial data on the functional state of intoxication of a person were used. The studies have shown that the use of manual marking of the initial data (in comparison with automatic methods of computer vision) leads to a decrease in the number of errors of the 1st and 2nd years of the kind and, accordingly, to an increase in the accuracy of assessing the functional state of a person. Thus, the presented technology for collecting initial data can be effectively used to build adequate models for assessing the functional state of a person by pupillary response to changes in illumination. The use of such models is relevant in solving individual problems of ensuring transport security, in particular, monitoring the functional state of drivers.
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Application of the kinetic type model for study of a spatial spread of COVID-19
Computer Research and Modeling, 2021, v. 13, no. 3, pp. 611-627A simple model based on a kinetic-type equation is proposed to describe the spread of a virus in space through the migration of virus carriers from a certain center. The consideration is carried out on the example of three countries for which such a one-dimensional model is applicable: Russia, Italy and Chile. The geographical location of these countries and their elongation in the direction from the centers of infection (Moscow, Milan and Lombardia in general, as well as Santiago, respectively) makes it possible to use such an approximation. The aim is to determine the dynamic density of the infected in time and space. The model is two-parameter. The first parameter is the value of the average spreading rate associated with the transfer of infected moving by transport vehicles. The second parameter is the frequency of the decrease of the infected as they move through the country, which is associated with the passengers reaching their destination, as well as with quarantine measures. The parameters are determined from the actual known data for the first days of the spatial spread of the epidemic. An analytical solution is being built; simple numerical methods are also used to obtain a series of calculations. The geographical spread of the disease is a factor taken into account in the model, the second important factor is that contact infection in the field is not taken into account. Therefore, the comparison of the calculated values with the actual data in the initial period of infection coincides with the real data, then these data become higher than the model data. Those no less model calculations allow us to make some predictions. In addition to the speed of infection, a similar “speed of recovery” is possible. When such a speed is found for the majority of the country's population, a conclusion is made about the beginning of a global recovery, which coincides with real data.
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International Interdisciplinary Conference "Mathematics. Computing. Education"