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Solution of the problem of optimal control of the process of methanogenesis based on the Pontryagin maximum principle
Computer Research and Modeling, 2020, v. 12, no. 2, pp. 357-367The paper presents a mathematical model that describes the process of obtaining biogas from livestock waste. This model describes the processes occurring in a biogas plant for mesophilic and thermophilic media, as well as for continuous and periodic modes of substrate inflow. The values of the coefficients of this model found earlier for the periodic mode, obtained by solving the problem of model identification from experimental data using a genetic algorithm, are given.
For the model of methanogenesis, an optimal control problem is formulated in the form of a Lagrange problem, whose criterial functionality is the output of biogas over a certain period of time. The controlling parameter of the task is the rate of substrate entry into the biogas plant. An algorithm for solving this problem is proposed, based on the numerical implementation of the Pontryagin maximum principle. In this case, a hybrid genetic algorithm with an additional search in the vicinity of the best solution using the method of conjugate gradients was used as an optimization method. This numerical method for solving an optimal control problem is universal and applicable to a wide class of mathematical models.
In the course of the study, various modes of submission of the substrate to the digesters, temperature environments and types of raw materials were analyzed. It is shown that the rate of biogas production in the continuous feed mode is 1.4–1.9 times higher in the mesophilic medium (1.9–3.2 in the thermophilic medium) than in the periodic mode over the period of complete fermentation, which is associated with a higher feed rate of the substrate and a greater concentration of nutrients in the substrate. However, the yield of biogas during the period of complete fermentation with a periodic mode is twice as high as the output over the period of a complete change of the substrate in the methane tank at a continuous mode, which means incomplete processing of the substrate in the second case. The rate of biogas formation for a thermophilic medium in continuous mode and the optimal rate of supply of raw materials is three times higher than for a mesophilic medium. Comparison of biogas output for various types of raw materials shows that the highest biogas output is observed for waste poultry farms, the least — for cattle farms waste, which is associated with the nutrient content in a unit of substrate of each type.
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Stochastic simulation of chemical reactions in subdiffusion medium
Computer Research and Modeling, 2021, v. 13, no. 1, pp. 87-104Theory of anomalous diffusion, which describe a vast number of transport processes with power law mean squared displacement, is actively advancing in recent years. Diffusion of liquids in porous media, carrier transport in amorphous semiconductors and molecular transport in viscous environments are widely known examples of anomalous deceleration of transport processes compared to the standard model.
Direct Monte Carlo simulation is a convenient tool for studying such processes. An efficient stochastic simulation algorithm is developed in the present paper. It is based on simple renewal process with interarrival times that have power law asymptotics. Analytical derivations show a deep connection between this class of random process and equations with fractional derivatives. The algorithm is further generalized by coupling it with chemical reaction simulation. It makes stochastic approach especially useful, because the exact form of integrodifferential evolution equations for reaction — subdiffusion systems is still a matter of debates.
Proposed algorithm relies on non-markovian random processes, hence one should carefully account for qualitatively new effects. The main question is how molecules leave the system during chemical reactions. An exact scheme which tracks all possible molecule combinations for every reaction channel is computationally infeasible because of the huge number of such combinations. It necessitates application of some simple heuristic procedures. Choosing one of these heuristics greatly affects obtained results, as illustrated by a series of numerical experiments.
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Physical research and numerical modeling of the lower ionosphere perturbed by powerful radio emission. Part 2. Results of numerical calculations and their analysis
Computer Research and Modeling, 2023, v. 15, no. 5, pp. 1237-1262The second part presents numerical studies of the parameters of the lower ionosphere at altitudes of 40–90 km when heated by powerful high-frequency radio waves of various frequencies and powers. The problem statement is considered in the first part of the article. The main attention is paid to the interrelation between the energy and kinetic parameters of the disturbed $D$-region of the ionosphere in the processes that determine the absorption and transformation of the radio beam energy flux in space and time. The possibility of a significant difference in the behavior of the parameters of the disturbed region in the daytime and at nighttime, both in magnitude and in space-time distribution, is shown. In the absence of sufficiently reliable values of the rate constants for a number of important kinetic processes, numerical studies were carried out in stages with the gradual addition of individual processes and kinetic blocks corresponding at the same time to a certain physical content. It is shown that the energy thresholds for inelastic collisions of electrons with air molecules are the main ones. This approach made it possible to detect the effect of the emergence of a self-oscillating mode of changing parameters if the main channel for energy losses in inelastic processes is the most energy-intensive process — ionization. This effect may play a role in plasma studies using high-frequency inductive and capacitive discharges. The results of calculations of the ionization and optical parameters of the disturbed $D$-region for daytime conditions are presented. The electron temperature, density, emission coefficients in the visible and infrared ranges of the spectrum are obtained for various values of the power of the radio beam and its frequency in the lower ionosphere. The height-time distribution of the absorbed radiation power is calculated, which is necessary in studies of higher layers of the ionosphere. The influence on the electron temperature and on the general behavior of the parameters of energy losses by electrons on the excitation of vibrational and metastable states of molecules has been studied in detail. It is shown that under nighttime conditions, when the electron concentration begins at altitudes of about 80 km, and the concentration of heavy particles decreases by two orders of magnitude compared to the average $D$-region, large-scale gas-dynamic motion can develop with sufficient radio emission power The algorithm was developed based on the McCormack method and two-dimensional gas-dynamic calculations of the behavior of the parameters of the perturbed region were performed with some simplifications of the kinetics.
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Model of steady river flow in the cross section of a curved channel
Computer Research and Modeling, 2024, v. 16, no. 5, pp. 1163-1178Modeling of channel processes in the study of coastal channel deformations requires the calculation of hydrodynamic flow parameters that take into account the existence of secondary transverse currents formed at channel curvature. Three-dimensional modeling of such processes is currently possible only for small model channels; for real river flows, reduced-dimensional models are needed. At the same time, the reduction of the problem from a three-dimensional model of the river flow movement to a two-dimensional flow model in the cross-section assumes that the hydrodynamic flow under consideration is quasi-stationary and the hypotheses about the asymptotic behavior of the flow along the flow coordinate of the cross-section are fulfilled for it. Taking into account these restrictions, a mathematical model of the problem of the a stationary turbulent calm river flow movement in a channel cross-section is formulated. The problem is formulated in a mixed formulation of velocity — “vortex – stream function”. As additional conditions for problem reducing, it is necessary to specify boundary conditions on the flow free surface for the velocity field, determined in the normal and tangential direction to the cross-section axis. It is assumed that the values of these velocities should be determined from the solution of auxiliary problems or obtained from field or experimental measurement data.
To solve the formulated problem, the finite element method in the Petrov – Galerkin formulation is used. Discrete analogue of the problem is obtained and an algorithm for solving it is proposed. Numerical studies have shown that, in general, the results obtained are in good agreement with known experimental data. The authors associate the obtained errors with the need to more accurately determine the circulation velocities field at crosssection of the flow by selecting and calibrating a more appropriate model for calculating turbulent viscosity and boundary conditions at the free boundary of the cross-section.
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Analysis of the physics-informed neural network approach to solving ordinary differential equations
Computer Research and Modeling, 2024, v. 16, no. 7, pp. 1621-1636Considered the application of physics-informed neural networks using multi layer perceptrons to solve Cauchy initial value problems in which the right-hand sides of the equation are continuous monotonically increasing, decreasing or oscillating functions. With the use of the computational experiments the influence of the construction of the approximate neural network solution, neural network structure, optimization algorithm and software implementation means on the learning process and the accuracy of the obtained solution is studied. The analysis of the efficiency of the most frequently used machine learning frameworks in software development with the programming languages Python and C# is carried out. It is shown that the use of C# language allows to reduce the time of neural networks training by 20–40%. The choice of different activation functions affects the learning process and the accuracy of the approximate solution. The most effective functions in the considered problems are sigmoid and hyperbolic tangent. The minimum of the loss function is achieved at the certain number of neurons of the hidden layer of a single-layer neural network for a fixed training time of the neural network model. It’s also mentioned that the complication of the network structure increasing the number of neurons does not improve the training results. At the same time, the size of the grid step between the points of the training sample, providing a minimum of the loss function, is almost the same for the considered Cauchy problems. Training single-layer neural networks, the Adam method and its modifications are the most effective to solve the optimization problems. Additionally, the application of twoand three-layer neural networks is considered. It is shown that in these cases it is reasonable to use the LBFGS algorithm, which, in comparison with the Adam method, in some cases requires much shorter training time achieving the same solution accuracy. The specificity of neural network training for Cauchy problems in which the solution is an oscillating function with monotonically decreasing amplitude is also investigated. For these problems, it is necessary to construct a neural network solution with variable weight coefficient rather than with constant one, which improves the solution in the grid cells located near by the end point of the solution interval.
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Numerical simulation of the process of activation of the safety valve
Computer Research and Modeling, 2018, v. 10, no. 4, pp. 495-509Views (last year): 34. Citations: 1 (RSCI).The conjugate problem of disk movement into gas-filled volume of the spring-type safety valve is solved. The questions of determining the physically correct value of the disk initial lift are considered. The review of existing approaches and methods for solving of such type problems is conducted. The formulation of the problem about the valve actuation when the vessel pressure rises and the mathematical model of the actuation processes are given. A special attention to the binding of physical subtasks is paid. Used methods, numerical schemes and algorithms are described. The mathematical modeling is performed on basе the fundamental system of differential equations for viscous gas movement with the equation for displacement of disk valve. The solution of this problem in the axe symmetric statement is carried out numerically using the finite volume method. The results obtained by the viscous and inviscid models are compared. In an inviscid formulation this problem is solved using the Godunov scheme, and in a viscous formulation is solved using the Kurganov – Tadmor method. The dependence of the disk displacement on time was obtained and compared with the experimental data. The pressure distribution on the disk surface, velocity profiles in the cross sections of the gap for different disk heights are given. It is shown that a value of initial drive lift it does not affect on the gas flow and valve movement part dynamic. It can significantly reduce the calculation time of the full cycle of valve work. Immediate isotahs for various elevations of the disk are presented. The comparison of jet flow over critical section is given. The data carried out by two numerical experiments are well correlated with each other. So, the inviscid model can be applied to the numerical modeling of the safety valve dynamic.
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Application of the streamline method for nonlinear filtration problems acceleration
Computer Research and Modeling, 2018, v. 10, no. 5, pp. 709-728Views (last year): 18.The paper contains numerical simulation of nonisothermal nonlinear flow in a porous medium. Twodimensional unsteady problem of heavy oil, water and steam flow is considered. Oil phase consists of two pseudocomponents: light and heavy fractions, which like the water component, can vaporize. Oil exhibits viscoplastic rheology, its filtration does not obey Darcy's classical linear law. Simulation considers not only the dependence of fluids density and viscosity on temperature, but also improvement of oil rheological properties with temperature increasing.
To solve this problem numerically we use streamline method with splitting by physical processes, which consists in separating the convective heat transfer directed along filtration from thermal conductivity and gravitation. The article proposes a new approach to streamline methods application, which allows correctly simulate nonlinear flow problems with temperature-dependent rheology. The core of this algorithm is to consider the integration process as a set of quasi-equilibrium states that are results of solving system on a global grid. Between these states system solved on a streamline grid. Usage of the streamline method allows not only to accelerate calculations, but also to obtain a physically reliable solution, since integration takes place on a grid that coincides with the fluid flow direction.
In addition to the streamline method, the paper presents an algorithm for nonsmooth coefficients accounting, which arise during simulation of viscoplastic oil flow. Applying this algorithm allows keeping sufficiently large time steps and does not change the physical structure of the solution.
Obtained results are compared with known analytical solutions, as well as with the results of commercial package simulation. The analysis of convergence tests on the number of streamlines, as well as on different streamlines grids, justifies the applicability of the proposed algorithm. In addition, the reduction of calculation time in comparison with traditional methods demonstrates practical significance of the approach.
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Mathematical and numerical modeling of a drop-shaped microcavity laser
Computer Research and Modeling, 2019, v. 11, no. 6, pp. 1083-1090This paper studies electromagnetic fields, frequencies of lasing, and emission thresholds of a drop-shaped microcavity laser. From the mathematical point of view, the original problem is a nonstandard two-parametric eigenvalue problem for the Helmholtz equation on the whole plane. The desired positive parameters are the lasing frequency and the threshold gain, the corresponding eigenfunctions are the amplitudes of the lasing modes. This problem is usually referred to as the lasing eigenvalue problem. In this study, spectral characteristics are calculated numerically, by solving the lasing eigenvalue problem on the basis of the set of Muller boundary integral equations, which is approximated by the Nystr¨om method. The Muller equations have weakly singular kernels, hence the corresponding operator is Fredholm with zero index. The Nyström method is a special modification of the polynomial quadrature method for boundary integral equations with weakly singular kernels. This algorithm is accurate for functions that are well approximated by trigonometric polynomials, for example, for eigenmodes of resonators with smooth boundaries. This approach leads to a characteristic equation for mode frequencies and lasing thresholds. It is a nonlinear algebraic eigenvalue problem, which is solved numerically by the residual inverse iteration method. In this paper, this technique is extended to the numerical modeling of microcavity lasers having a more complicated form. In contrast to the microcavity lasers with smooth contours, which were previously investigated by the Nyström method, the drop has a corner. We propose a special modification of the Nyström method for contours with corners, which takes also the symmetry of the resonator into account. The results of numerical experiments presented in the paper demonstrate the practical effectiveness of the proposed algorithm.
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Fast method for analyzing the electromagnetic field perturbation by small spherical scatterer
Computer Research and Modeling, 2020, v. 12, no. 5, pp. 1039-1050In this work, we consider a special approximation of the general perturbation formula for the electromagnetic field by a set of electrically small inhomogeneities located in the domain of interest. The problem considered in this paper arises in many applications of technical electrodynamics, radar technologies and subsurface remote sensing. In the general case, it is formulated as follows: at some point in the perturbed domain, it is necessary to determine the amplitude of the electromagnetic field. The perturbation of electromagnetic waves is caused by a set of electrically small scatterers distributed in space. The source of electromagnetic waves is also located in perturbed domain. The problem is solved by introducing the far field approximation and through the formulation for the scatterer radar cross section value. This, in turn, allows one to significantly speed up the calculation process of the perturbed electromagnetic field by a set of a spherical inhomogeneities identical to each other with arbitrary electrophysical parameters. In this paper, we consider only the direct scattering problem; therefore, all parameters of the scatterers are known. In this context, it may be argued that the formulation corresponds to the well-posed problem and does not imply the solution of the integral equation in the generalized formula. One of the features of the proposed algorithm is the allocation of a characteristic plane at the domain boundary. All points of observation of the state of the system belong to this plane. Set of the scatterers is located inside the observation region, which is formed by this surface. The approximation is tested by comparing the results obtained with the solution of the general formula method for the perturbation of the electromagnetic field. This approach, among other things, allows one to remove a number of restrictions on the general perturbation formula for E-filed analysis.
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Repressilator with time-delayed gene expression. Part II. Stochastic description
Computer Research and Modeling, 2021, v. 13, no. 3, pp. 587-609The repressilator is the first genetic regulatory network in synthetic biology, which was artificially constructed in 2000. It is a closed network of three genetic elements $lacI$, $\lambda cI$ and $tetR$, which have a natural origin, but are not found in nature in such a combination. The promoter of each of the three genes controls the next cistron via the negative feedback, suppressing the expression of the neighboring gene. In our previous paper [Bratsun et al., 2018], we proposed a mathematical model of a delayed repressillator and studied its properties within the framework of a deterministic description. We assume that delay can be both natural, i.e. arises during the transcription / translation of genes due to the multistage nature of these processes, and artificial, i.e. specially to be introduced into the work of the regulatory network using gene engineering technologies. In this work, we apply the stochastic description of dynamic processes in a delayed repressilator, which is an important addition to deterministic analysis due to the small number of molecules involved in gene regulation. The stochastic study is carried out numerically using the Gillespie algorithm, which is modified for time delay systems. We present the description of the algorithm, its software implementation, and the results of benchmark simulations for a onegene delayed autorepressor. When studying the behavior of a repressilator, we show that a stochastic description in a number of cases gives new information about the behavior of a system, which does not reduce to deterministic dynamics even when averaged over a large number of realizations. We show that in the subcritical range of parameters, where deterministic analysis predicts the absolute stability of the system, quasi-regular oscillations may be excited due to the nonlinear interaction of noise and delay. Earlier, we have discovered within the framework of the deterministic description, that there exists a long-lived transient regime, which is represented in the phase space by a slow manifold. This mode reflects the process of long-term synchronization of protein pulsations in the work of the repressilator genes. In this work, we show that the transition to the cooperative mode of gene operation occurs a two order of magnitude faster, when the effect of the intrinsic noise is taken into account. We have obtained the probability distribution of moment when the phase trajectory leaves the slow manifold and have determined the most probable time for such a transition. The influence of the intrinsic noise of chemical reactions on the dynamic properties of the repressilator is discussed.
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