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The computational algorithm for studying internal laminar flows of a multicomponent gas with different-scale chemical processes
Computer Research and Modeling, 2023, v. 15, no. 5, pp. 1169-1187The article presented the computational algorithm developed to study chemical processes in the internal flows of a multicomponent gas under the influence of laser radiation. The mathematical model is the gas dynamics’ equations with chemical reactions at low Mach numbers. It takes into account dissipative terms that describe the dynamics of a viscous heat-conducting medium with diffusion, chemical reactions and energy supply by laser radiation. This mathematical model is characterized by the presence of several very different time and spatial scales. The computational algorithm is based on a splitting scheme by physical processes. Each time integration step is divided into the following blocks: solving the equations of chemical kinetics, solving the equation for the radiation intensity, solving the convection-diffusion equations, calculating the dynamic component of pressure and calculating the correction of the velocity vector. The solution of a stiff system of chemical kinetics equations is carried out using a specialized explicit second-order accuracy scheme or a plug-in RADAU5 module. Numerical Rusanov flows and a WENO scheme of an increased order of approximation are used to find convective terms in the equations. The code based on the obtained algorithm has been developed using MPI parallel computing technology. The developed code is used to calculate the pyrolysis of ethane with radical reactions. The superequilibrium concentrations’ formation of radicals in the reactor volume is studied in detail. Numerical simulation of the reaction gas flow in a flat tube with laser radiation supply is carried out, which is in demand for the interpretation of experimental results. It is shown that laser radiation significantly increases the conversion of ethane and yields of target products at short lengths closer to the entrance to the reaction zone. Reducing the effective length of the reaction zone allows us to offer new solutions in the design of ethane conversion reactors into valuable hydrocarbons. The developed algorithm and program will find their application in the creation of new technologies of laser thermochemistry.
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Computation of a shock wave structure in a gas mixture based on the Boltzmann equation with accuracy control
Computer Research and Modeling, 2024, v. 16, no. 5, pp. 1107-1123In this paper, the structure of a shock wave in a binary gas mixture is studied on the basis of direct solution of the Boltzmann kinetic equation. The conservative projection method is used to evaluate the collision integral in the kinetic equation. The applied evaluation formulas and numerical methods are described in detail. The model of hard spheres is used as an interaction potential of molecules. Numerical simulation is performed using the developed simulation environment software, which makes it possible to study both steady and non-steady flows of gas mixtures in various flow regimes and for an arbitrary geometry of the problem. Modeling is performed on a cluster architecture. Due to the use of code parallelization technologies, a significant acceleration of computations is achieved. With a fixed accuracy controlled by the simulation parameters, the distributions of macroscopic characteristics of the mixture components through the shock wave front were obtained. Computations were conducted for various ratios of molecular masses and Mach numbers. The total accuracy of at least 1% for the local values of molecular density and temperature and 3% for the shock front width was achieved. The obtained results were compared with existing computation data. The results presented in this paper are of theoretical significance, and can serve as a test computation, since they are obtained using the exact Boltzmann equation.
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Numerical simulation of converging spherical shock waves with symmetry violation
Computer Research and Modeling, 2025, v. 17, no. 1, pp. 59-71The study of the development of π-periodic perturbations of a converging spherical shock wave leading to cumulation limitation is performed. The study is based on 3D hydrodynamic calculations with the Carnahan – Starling equation of state for hard sphere fluid. The method of solving the Euler equations on moving (compressing) grids allows one to trace the evolution of the converging shock wave front with high accuracy in a wide range of its radius. The compression rate of the computational grid is adapted to the motion of the shock wave front, while the motion of the boundaries of the computational domain satisfy the condition of its supersonic velocity relative to the medium. This leads to the fact that the solution is determined only by the initial data at the grid compression stage. The second order TVD scheme is used to reconstruct the vector of conservative variables at the boundaries of the computational cells in combination with the Rusanov scheme for calculating the numerical vector of flows. The choice is due to a strong tendency for the manifestation of carbuncle-type numerical instability in the calculations, which is known for other classes of flows. In the three-dimensional case of the observed force, the carbuncle effect was obtained for the first time, which is explained by the specific nature of the flow: the concavity of the shock wave front in the direction of motion, the unlimited (in the symmetric case) growth of the Mach number, and the stationarity of the front on the computational grid. The applied numerical method made it possible to study the detailed flow pattern on the scale of cumulation termination, which is impossible within the framework of the Whitham method of geometric shock wave dynamics, which was previously used to calculate converging shock waves. The study showed that the limitation of cumulation is associated with the transition from the Mach interaction of converging shock wave segments to a regular one due to the progressive increase in the ratio of the azimuthal velocity at the shock wave front to the radial velocity with a decrease in its radius. It was found that this ratio is represented as a product of a limited oscillating function of the radius and a power function of the radius with an exponent depending on the initial packing density in the hard sphere model. It is shown that increasing the packing density parameter in the hard sphere model leads to a significant increase in the pressures achieved in a shock wave with broken symmetry. For the first time in the calculation, it is shown that at the scale of cumulation termination, the flow is accompanied by the formation of high-energy vortices, which involve the substance that has undergone the greatest shock-wave compression. Influencing heat and mass transfer in the region of greatest compression, this circumstance is important for current practical applications of converging shock waves for the purpose of initiating reactions (detonation, phase transitions, controlled thermonuclear fusion).
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Localized waves of the $\varphi^4$ equation in models with two extended impurities
Computer Research and Modeling, 2025, v. 17, no. 3, pp. 437-449In this paper, we consider the interaction of a kink of the $\varphi^4$ equation with two identical extended impurities. An extended impurity is described using a rectangular function. The case of an attractive impurity is analyzed. Using analytical methods, we consider the case of small amplitudes of localized waves, when it is possible to linearize the equations of motion. For the numerical solution, the method of lines for partial differential equations was used. To find the oscillation frequencies of waves localized on impurities, the discrete Fourier transform is used. The kink was launched in the direction of the impurities with different initial velocities. The distance between the two impurities was also varied. It is shown that when a kink interacts with impurities, long-lived localized breather-type waves are excited on them. Their structure and coupled dynamics are investigated. It is determined how, by changing the parameters of the impurities and the distance between them, it is possible to control the type and dynamic parameters of the coupled oscillations of the waves localized on the impurities. Possible solutions in the form of in-phase, antiphase oscillations, in the form of beats are found. The oscillations of localized waves occur with the emission of small-amplitude waves. The spectrum of these emissions consists of two frequencies. The first is approximately equal to $\sqrt{2}$, which corresponds to the frequency value for the wobbling breather tail of the $\varphi^4$ equation. The second is approximately equal to the doubled frequency of impurity mode oscillations. The presence of two possible frequencies for coupled localized oscillations is found both analytically and numerically. It is shown that the frequencies strongly depend on the distance between impurities. With increasing distance between impurities, the frequencies merge into one — frequency obtained for the case of a single impurity. The dependences of the frequencies on the distance between impurities found numerically and analytically coincide well for large distances, when the interaction between impurities is weak, and begin to differ noticeably at small distances, when the interaction between impurities is strong. The analytical value of the obtained frequencies is always greater than the numerical ones. It is shown that the dependence of the amplitude of localized waves on the initial kink velocity has several minima and maxima.
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Modeling of nonlinear aeroelastic oscillations of a channel wall interacting with a pulsating viscous gas layer
Computer Research and Modeling, 2025, v. 17, no. 4, pp. 583-600The mathematical model for aeroelastic oscillations of a narrow channel wall with a nonlinear-elastic suspension and interacting with a pulsating viscous gas layer is proposed. Within the framework of this model, the aeroelastic response of the channel wall and its phase response were determined and investigated. The authors simultaneously studied the influence of the nonlinear stiffness elastic suspension of the wall, compressibility and dissipative properties of gas, as well as the inertia of its motion on the wall oscillations. The model was elaborated based on the formulation and solution of the initial boundary-value plane problem of mathematical physics. The problem governing equations include the equations of dynamics for barotropic viscous gas, equation of dynamics for the rigid wall as the spring-mass nonlinear oscillator. Using the perturbation method, the asymptotic analysis of the problem was carried out. The solution of the equations of dynamics for the thin layer of viscous gas was obtained by the iteration method. As a result, the law of gas pressure distribution in the channel was determined and the initial problem of aeroelasticity was reduced to the study of the generalized Duffing equation. Its solution was realized by the harmonic balance method, which allowed us to determine the aeroelastic and phase responses of the channel wall in the form of implicit functions. The numerical study of these responses was carried out to evaluate the influence for inertia of gas motion and its compressibility, as well as a comparison of the results obtained with the special cases of creeping motion of viscous gas and incompressible viscous fluid. The results of this study have shown the importance of simultaneous consideration of compressibility and inertia of viscous gas motion when modeling aeroelastic oscillations of the considered channel wall.
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Control of the dynamics of the kink of the modified sine-Gordon equation by the external exposure with varying parameters
Computer Research and Modeling, 2013, v. 5, no. 5, pp. 821-834Views (last year): 2. Citations: 4 (RSCI).The paper presents results that confirm the ability to control the movement of the kink of the modified sine-Gordon equation with variable external force parameters. Three types of external influences have been considered: permanent action, periodic action with a constant frequency and a frequency-modulated periodic exposure. The dependences of the position and velocity of the kink on time for various values of the parameters of external influence were obtained using the method of McLaughlin and Scott. It is shown that by changing the settings, one can adjust the velocity and direction of movement of the kink.
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Parallel implementation of a finite-element algorithms on a graphics accelerator in the software package FEStudio
Computer Research and Modeling, 2014, v. 6, no. 1, pp. 79-97Views (last year): 4. Citations: 24 (RSCI).In this paper, we present new parallel algorithms for finite element analysis implemented in the FEStudio software framework. We describe the programming model of finite element method, which supports parallelism on different stages of numerical simulations. Using this model, we develop parallel algorithms of numerical integration for dynamic problems and local stiffness matrices. For constructing and solving the systems of equations, we use the CUDA programming platform.
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Discrete Models in Population Dynamics: Advantages, Problems, and Justification
Computer Research and Modeling, 2016, v. 8, no. 2, pp. 267-284Views (last year): 6. Citations: 6 (RSCI).This article is dedicated to applicability justification as well as advantages and disadvantages analysis of discrete models in population dynamics. Discretization is the process of transferring continuous functions, models, and equations into discrete counterparts. We consider how temporal, spatial and structural discretization can be applied for solving typical issues in mathematical ecology, and try to estimate corresponding models adequacy and applicability limitations.
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The cosymmetric approach to the analysis of spatial structure of populations with amount of taxis
Computer Research and Modeling, 2016, v. 8, no. 4, pp. 661-671Views (last year): 2. Citations: 1 (RSCI).We consider a mathematical model describing the competition for a heterogeneous resource of two populations on a one-dimensional area. Distribution of populations is governed by diffusion and directed migration, species growth obeys to the logistic law. We study the corresponding problem of nonlinear parabolic equations with variable coefficients (function of a resource, parameters of growth, diffusion and migration). Approach on the theory the cosymmetric dynamic systems of V. Yudovich is applied to the analysis of population patterns. Conditions on parameters for which the problem under investigation has nontrivial cosymmetry are analytically derived. Numerical experiment is used to find an emergence of continuous family of steady states when cosymmetry takes place. The numerical scheme is based on the finite-difference discretization in space using the balance method and integration on time by Runge-Kutta method. Impact of diffusive and migration parameters on scenarios of distribution of populations is studied. In the vicinity of the line, corresponding to cosymmetry, neutral curves for diffusive parameters are calculated. We present the mappings with areas of diffusive parameters which correspond to scenarios of coexistence and extinction of species. For a number of migration parameters and resource functions with one and two maxima the analysis of possible scenarios is carried out. Particularly, we found the areas of parameters for which the survival of each specie is determined by initial conditions. It should be noted that dynamics may be nontrivial: after starting decrease in densities of both species the growth of only one population takes place whenever another specie decreases. The analysis has shown that areas of the diffusive parameters corresponding to various scenarios of population patterns are grouped near the cosymmetry lines. The derived mappings allow to explain, in particular, effect of a survival of population due to increasing of diffusive mobility in case of starvation.
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Investigation the material properties of a plate by laser ultrasound using the analysis of multiple waves
Computer Research and Modeling, 2019, v. 11, no. 4, pp. 653-673Views (last year): 3.Ultrasound examination of material properties is a precision method for determining their elastic and strength properties in connection with the small wavelength formed in the material after impact of a laser beam. In this paper, the wave processes arising during these measurements are considered in detail. It is shown that full-wave numerical modeling allows us to study in detail the types of waves, topological characteristics of their profile, speed of arrival of waves at various points, identification the types of waves whose measurements are most optimal for examining a sample made of a specific material of a particular shape, and to develop measurement procedures.
To carry out full-wave modeling, a grid-characteristic method on structured grids was used in this work and a hyperbolic system of equations that describes the propagation of elastic waves in the material of the thin plate under consideration on a specific example of a ratio of thickness to width of 1:10 was solved.
To simulate an elastic front that arose in the plate due to a laser beam, a model of the corresponding initial conditions was proposed. A comparison of the wave effects that arise during its use in the case of a point source and with the data of physical experiments on the propagation of laser ultrasound in metal plates was made.
A study was made on the basis of which the characteristic topological features of the wave processes under consideration were identified and revealed. The main types of elastic waves arising due to a laser beam are investigated, the possibility of their use for studying the properties of materials is analyzed. A method based on the analysis of multiple waves is proposed. The proposed method for studying the properties of a plate with the help of multiple waves on synthetic data was tested, and it showed good results.
It should be noted that most of the studies of multiple waves are aimed at developing methods for their suppression. Multiple waves are not used to process the results of ultrasound studies due to the complexity of their detection in the recorded data of a physical experiment.
Due to the use of full wave modeling and analysis of spatial dynamic wave processes, multiple waves are considered in detail in this work and it is proposed to divide materials into three classes, which allows using multiple waves to obtain information about the material of the plate.
The main results of the work are the developed problem statements for the numerical simulation of the study of plates of a finite thickness by laser ultrasound; the revealed features of the wave phenomena arising in plates of a finite thickness; the developed method for studying the properties of the plate on the basis of multiple waves; the developed classification of materials.
The results of the studies presented in this paper may be of interest not only for developments in the field of ultrasonic non-destructive testing, but also in the field of seismic exploration of the earth's interior, since the proposed approach can be extended to more complex cases of heterogeneous media and applied in geophysics.
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