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Modeling of sand-gravel bed evolution in one-dimension
Computer Research and Modeling, 2015, v. 7, no. 2, pp. 315-328In the paper the model for a one-dimensional non-equilibrium riverbed process is proposed. The model takes into account the suspended and bed-load sediment transport. The bed-load transport is determined by using the original formula. This formula was derived from the thin bottom layer motion equation. The formula doesn’t contain new phenomenological parameters and takes into account the influence of bed slope, granulometric and physical mechanical parameters on the bed-load transport. A number of the model test problems are solved for the verification of the proposed mathematical model. The comparison of the calculation results with the established experimental data and the results of other authors is made. It was shown, that the obtained results have a good agreement with the experimental data in spite of the relative simplicity of the proposed mathematical model.
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Regarding the dynamics of cosymmetric predator – prey systems
Computer Research and Modeling, 2017, v. 9, no. 5, pp. 799-813Views (last year): 12. Citations: 3 (RSCI).To study nonlinear effects of biological species interactions numerical-analytical approach is being developed. The approach is based on the cosymmetry theory accounting for the phenomenon of the emergence of a continuous family of solutions to differential equations where each solution can be obtained from the appropriate initial state. In problems of mathematical ecology the onset of cosymmetry is usually connected with a number of relationships between the parameters of the system. When the relationships collapse families vanish, we get a finite number of isolated solutions instead of a continuum of solutions and transient process can be long-term, dynamics taking place in a neighborhood of a family that has vanished due to cosymmetry collapse.
We consider a model for spatiotemporal competition of predators or prey with an account for directed migration, Holling type II functional response and nonlinear prey growth function permitting Alley effect. We found out the conditions on system parameters under which there is linear with respect to population densities cosymmetry. It is demonstated that cosymmetry exists for any resource function in case of heterogeneous habitat. Numerical experiment in MATLAB is applied to compute steady states and oscillatory regimes in case of spatial heterogeneity.
The dynamics of three population interactions (two predators and a prey, two prey and a predator) are considered. The onset of families of stationary distributions and limit cycle branching out of equlibria of a family that lose stability are investigated in case of homogeneous habitat. The study of the system for two prey and a predator gave a wonderful result of species coexistence. We have found out parameter regions where three families of stable solutions can be realized: coexistence of two prey in absence of a predator, stationary and oscillatory distributions of three coexisting species. Cosymmetry collapse is analyzed and long-term transient dynamics leading to solutions with the exclusion of one of prey or extinction of a predator is established in the numerical experiment.
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The effect of cell metabolism on biomass yield during the growth on various substrates
Computer Research and Modeling, 2017, v. 9, no. 6, pp. 993-1014Views (last year): 17.Bioenergetic regularities determining the maximal biomass yield in aerobic microbial growth on various substrates have been considered. The approach is based on the method of mass-energy balance and application of GenMetPath computer program package. An equation system describing the balances of quantities of 1) metabolite reductivity and 2) high-energy bonds formed and expended has been formulated. In order to formulate the system, the whole metabolism is subdivided into constructive and energetic partial metabolisms. The constructive metabolism is, in turn, subdivided into two parts: forward and standard. The latter subdivision is based on the choice of nodal metabolites. The forward constructive metabolism is substantially dependent on growth substrate: it converts the substrate into the standard set of nodal metabolites. The latter is, then, converted into biomass macromolecules by the standard constructive metabolism which is the same on various substrates. Variations of flows via nodal metabolites are shown to exert minor effects on the standard constructive metabolism. As a separate case, the growth on substrates requiring the participation of oxygenases and/or oxidase is considered. The bioenergetic characteristics of the standard constructive metabolism are found from a large amount of data for the growth of various organisms on glucose. The described approach can be used for prediction of biomass growth yield on substrates with known reactions of their primary metabolization. As an example, the growth of a yeast culture on ethanol has been considered. The value of maximal growth yield predicted by the method described here showed very good consistency with the value found experimentally.
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Estimation of maximal values of biomass growth yield based on the mass-energy balance of cell metabolism
Computer Research and Modeling, 2019, v. 11, no. 4, pp. 723-750Views (last year): 2.The biomass growth yield is the ratio of the newly synthesized substance of growing cells to the amount of the consumed substrate, the source of matter and energy for cell growth. The yield is a characteristic of the efficiency of substrate conversion to cell biomass. The conversion is carried out by the cell metabolism, which is a complete aggregate of biochemical reactions occurring in the cells.
This work newly considers the problem of maximal cell growth yield prediction basing on balances of the whole living cell metabolism and its fragments called as partial metabolisms (PM). The following PM’s are used for the present consideration. During growth on any substrate we consider i) the standard constructive metabolism (SCM) which consists of identical pathways during growth of various organisms on any substrate. SCM starts from several standard compounds (nodal metabolites): glucose, acetyl-CoA 2-oxoglutarate, erythrose-4-phosphate, oxaloacetate, ribose-5- phosphate, 3-phosphoglycerate, phosphoenolpyruvate, and pyruvate, and ii) the full forward metabolism (FM) — the remaining part of the whole metabolism. The first one consumes high-energy bonds (HEB) formed by the second one. In this work we examine a generalized variant of the FM, when the possible presence of extracellular products, as well as the possibilities of both aerobic and anaerobic growth are taken into account. Instead of separate balances of each nodal metabolite formation as it was made in our previous work, this work deals at once with the whole aggregate of these metabolites. This makes the problem solution more compact and requiring a smaller number of biochemical quantities and substantially less computational time. An equation expressing the maximal biomass yield via specific amounts of HEB formed and consumed by the partial metabolisms has been derived. It includes the specific HEB consumption by SCM which is a universal biochemical parameter applicable to the wide range of organisms and growth substrates. To correctly determine this parameter, the full constructive metabolism and its forward part are considered for the growth of cells on glucose as the mostly studied substrate. We used here the found earlier properties of the elemental composition of lipid and lipid-free fractions of cell biomass. Numerical study of the effect of various interrelations between flows via different nodal metabolites has been made. It showed that the requirements of the SCM in high-energy bonds and NAD(P)H are practically constants. The found HEB-to-formed-biomass coefficient is an efficient tool for finding estimates of maximal biomass yield from substrates for which the primary metabolism is known. Calculation of ATP-to-substrate ratio necessary for the yield estimation has been made using the special computer program package, GenMetPath.
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Studying indicators of development of oligopolistic markets on the basis of operational calculus
Computer Research and Modeling, 2019, v. 11, no. 5, pp. 949-963The traditional approach to computing optimal game strategies of firms on oligopolistic markets and of indicators of such markets consists in studying linear dynamical games with quadratic criteria and solving generalized matrix Riccati equations.
The other approach proposed by the author is based on methods of operational calculus (in particular, Z-transform). This approach makes it possible to achieve economic meaningful decisions under wider field of parameter values. It characterizes by simplicity of computations and by necessary for economic analysis visibility. One of its advantages is that in many cases important for economic practice, it, in contrast to the traditional approach, provides the ability to make calculations using widespread spreadsheets, which allows to study the prospects for the development of oligopolistic markets to a wide range of professionals and consumers.
The article deals with the practical aspects of determining the optimal Nash–Cournot strategies of participants in oligopolistic markets on the basis of operational calculus, in particular the technique of computing the optimal Nash–Cournot strategies in Excel. As an illustration of the opportinities of the proposed methods of calculation, examples close to the practical problems of forecasting indicators of the markets of high-tech products are studied.
The results of calculations obtained by the author for numerous examples and real economic systems, both using the obtained relations on the basis of spreadsheets and using extended Riccati equations, are very close. In most of the considered practical problems, the deviation of the indicators calculated in accordance with the two approaches, as a rule, does not exceed 1.5–2%. The highest value of relative deviations (up to 3–5%) is observed at the beginning of the forecasting period. In typical cases, the period of relatively noticeable deviations is 3–5 moments of time. After the transition period, there is almost complete agreement of the values of the required indicators using both approaches.
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Population waves and their bifurcations in a model “active predator – passive prey”
Computer Research and Modeling, 2020, v. 12, no. 4, pp. 831-843Our purpose is to study the spatio-temporal population wave behavior observed in the predator-prey system. It is assumed that predators move both directionally and randomly, and prey spread only diffusely. The model does not take into account demographic processes in the predator population; it’s total number is constant and is a parameter. The variables of the model are the prey and predator densities and the predator speed, which are connected by a system of three reaction – diffusion – advection equations. The system is considered on an annular range, that is the periodic conditions are set at the boundaries of the interval. We have studied the bifurcations of wave modes arising in the system when two parameters are changed — the total number of predators and their taxis acceleration coefficient.
The main research method is a numerical analysis. The spatial approximation of the problem in partial derivatives is performed by the finite difference method. Integration of the obtained system of ordinary differential equations in time is carried out by the Runge –Kutta method. The construction of the Poincare map, calculation of Lyapunov exponents, and Fourier analysis are used for a qualitative analysis of dynamic regimes.
It is shown that, population waves can arise as a result of existence of directional movement of predators. The population dynamics in the system changes qualitatively as the total predator number increases. А stationary homogeneous regime is stable at low value of parameter, then it is replaced by self-oscillations in the form of traveling waves. The waveform becomes more complicated as the bifurcation parameter increases; its complexity occurs due to an increase in the number of temporal vibrational modes. A large taxis acceleration coefficient leads to the possibility of a transition from multi-frequency to chaotic and hyperchaotic population waves. A stationary regime without preys becomes stable with a large number of predators.
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The applicability of the approximation of single scattering in pulsed sensing of an inhomogeneous medium
Computer Research and Modeling, 2020, v. 12, no. 5, pp. 1063-1079The mathematical model based on the linear integro-differential Boltzmann equation is considered in this article. The model describes the radiation transfer in the scattering medium irradiated by a point source. The inverse problem for the transfer equation is defined. This problem consists of determining the scattering coefficient from the time-angular distribution of the radiation flux density at a given point in space. The Neumann series representation for solving the radiation transfer equation is analyzed in the study of the inverse problem. The zero member of the series describes the unscattered radiation, the first member of the series describes a single-scattered field, the remaining members of the series describe a multiple-scattered field. When calculating the approximate solution of the radiation transfer equation, the single scattering approximation is widespread to calculated an approximate solution of the equation for regions with a small optical thickness and a low level of scattering. An analytical formula is obtained for finding the scattering coefficient by using this approximation for problem with additional restrictions on the initial data. To verify the adequacy of the obtained formula the Monte Carlo weighted method for solving the transfer equation is constructed and software implemented taking into account multiple scattering in the medium and the space-time singularity of the radiation source. As applied to the problems of high-frequency acoustic sensing in the ocean, computational experiments were carried out. The application of the single scattering approximation is justified, at least, at a sensing range of about one hundred meters and the double and triple scattered fields make the main impact on the formula error. For larger regions, the single scattering approximation gives at the best only a qualitative evaluation of the medium structure, sometimes it even does not allow to determine the order of the parameters quantitative characteristics of the interaction of radiation with matter.
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From homogeneous to inhomogeneous electronic analogue of DNA
Computer Research and Modeling, 2020, v. 12, no. 6, pp. 1397-1407In this work, the problem of constructing an electronic analogue of heterogeneous DNA is solved with the help of the methods of mathematical modeling. Electronic analogs of that type, along with other physical models of living systems, are widely used as a tool for studying the dynamic and functional properties of these systems. The solution to the problem is based on an algorithm previously developed for homogeneous (synthetic) DNA and modified in such a way that it can be used for the case of inhomogeneous (native) DNA. The algorithm includes the following steps: selection of a model that simulates the internal mobility of DNA; construction of a transformation that allows you to move from the DNA model to its electronic analogue; search for conditions that provide an analogy of DNA equations and electronic analogue equations; calculation of the parameters of the equivalent electrical circuit. To describe inhomogeneous DNA, the model was chosen that is a system of discrete nonlinear differential equations simulating the angular deviations of nitrogenous bases, and Hamiltonian corresponding to these equations. The values of the coefficients in the model equations are completely determined by the dynamic parameters of the DNA molecule, including the moments of inertia of nitrous bases, the rigidity of the sugar-phosphate chain, and the constants characterizing the interactions between complementary bases in pairs. The inhomogeneous Josephson line was used as a basis for constructing an electronic model, the equivalent circuit of which contains four types of cells: A-, T-, G-, and C-cells. Each cell, in turn, consists of three elements: capacitance, inductance, and Josephson junction. It is important that the A-, T-, G- and C-cells of the Josephson line are arranged in a specific order, which is similar to the order of the nitrogenous bases (A, T, G and C) in the DNA sequence. The transition from DNA to an electronic analog was carried out with the help of the A-transformation which made it possible to calculate the values of the capacitance, inductance, and Josephson junction in the A-cells. The parameter values for the T-, G-, and C-cells of the equivalent electrical circuit were obtained from the conditions imposed on the coefficients of the model equations and providing an analogy between DNA and the electronic model.
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Investigation of the averaged model of coked catalyst oxidative regeneration
Computer Research and Modeling, 2021, v. 13, no. 1, pp. 149-161The article is devoted to the construction and investigation of an averaged mathematical model of an aluminum-cobalt-molybdenum hydrocracking catalyst oxidative regeneration. The oxidative regeneration is an effective means of restoring the activity of the catalyst when its granules are coating with coke scurf.
The mathematical model of this process is a nonlinear system of ordinary differential equations, which includes kinetic equations for reagents’ concentrations and equations for changes in the temperature of the catalyst granule and the reaction mixture as a result of isothermal reactions and heat transfer between the gas and the catalyst layer. Due to the heterogeneity of the oxidative regeneration process, some of the equations differ from the standard kinetic ones and are based on empirical data. The article discusses the scheme of chemical interaction in the regeneration process, which the material balance equations are compiled on the basis of. It reflects the direct interaction of coke and oxygen, taking into account the degree of coverage of the coke granule with carbon-hydrogen and carbon-oxygen complexes, the release of carbon monoxide and carbon dioxide during combustion, as well as the release of oxygen and hydrogen inside the catalyst granule. The change of the radius and, consequently, the surface area of coke pellets is taken into account. The adequacy of the developed averaged model is confirmed by an analysis of the dynamics of the concentrations of substances and temperature.
The article presents a numerical experiment for a mathematical model of oxidative regeneration of an aluminum-cobalt-molybdenum hydrocracking catalyst. The experiment was carried out using the Kutta–Merson method. This method belongs to the methods of the Runge–Kutta family, but is designed to solve stiff systems of ordinary differential equations. The results of a computational experiment are visualized.
The paper presents the dynamics of the concentrations of substances involved in the oxidative regeneration process. A conclusion on the adequacy of the constructed mathematical model is drawn on the basis of the correspondence of the obtained results to physicochemical laws. The heating of the catalyst granule and the release of carbon monoxide with a change in the radius of the granule for various degrees of initial coking are analyzed. There are a description of the results.
In conclusion, the main results and examples of problems which can be solved using the developed mathematical model are noted.
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Study of turbulence models for calculating a strongly swirling flow in an abrupt expanding channel
Computer Research and Modeling, 2021, v. 13, no. 4, pp. 793-805In this paper, compared fundamentally different turbulence models for calculating a strongly swirling flow in an abrupt expanding pipe. This task is not only of great importance in practice, but also in theoretical terms. Because in such a flow a very complex anisotropic turbulence with recirculation zones arises and the study of the ongoing processes allows us to find an answer to many questions about turbulence. The flow under consideration has been well studied experimentally. Therefore, it is a very complex and interesting test problem for turbulence models. In the paper compared the numerical results of the one-parameter vt-92 model, the SSG/LRR-RSMw2012 Reynolds stress method and the new two-fluid model. These models are very different from each other. Because the Boussinesq hypothesis is used in the one-parameter vt-92 model, in the SSG/LRR-RSM-w2012 model, its own equation is written for each stress, and for the new two-fluid model, the basis is a completely different approach to turbulence. A feature of the approach to turbulence for the new two-fluid model is that it allows one to obtain a closed system of equations. Comparison of these models is carried out not only by the correspondence of their results with experimental data, but also by the computational resources expended on the numerical implementation of these models. Therefore, in this work, for all models, the same technique was used to numerically calculate the turbulent swirling flow at the Reynolds number $Re=3\cdot 10^4$ and the swirl parameter $S_w=0.6$. In the paper showed that the new two-fluid model is effective for the study of turbulent flows, because has good accuracy in describing complex anisotropic turbulent flows and is simple enough for numerical implementation.
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