Результаты поиска по 'reaction dynamics':
Найдено статей: 36
  1. Malinetsky G.G., Faller D.S.
    Transition to chaos in the «reaction–diffusion» systems. The simplest models
    Computer Research and Modeling, 2014, v. 6, no. 1, pp. 3-12

    The article discusses the emergence of chaotic attractors in the system of three ordinary differential equations arising in the theory of «reaction-diffusion» systems. The dynamics of the corresponding one- and two-dimensional maps and Lyapunov exponents of such attractors are studied. It is shown that the transition to chaos is in accordance with a non-traditional scenario of repeated birth and disappearance of chaotic regimes, which had been previously studied for one-dimensional maps with a sharp apex and a quadratic minimum. Some characteristic features of the system — zones of bistability and hyperbolicity, the crisis of chaotic attractors — are studied by means of numerical analysis.

    Views (last year): 6. Citations: 1 (RSCI).
  2. Aksenov A.A.
    FlowVision: Industrial computational fluid dynamics
    Computer Research and Modeling, 2017, v. 9, no. 1, pp. 5-20

    The work submits new release of the FlowVision software designed for automation of engineering calculations in computational fluid dynamics: FlowVision 3.09.05. The FlowVision software is used for solving different industrial problems. Its popularity is based on the capability to solve complex non-tradition problems involving different physical processes. The paradigm of complete automation of labor-intensive and time-taking processes like grid generation makes FlowVision attractive for many engineers. FlowVision is completely developer-independent software. It includes an advanced graphical interface, the system for specifying a computational project as well as the system for flow visualization on planes, on curvilinear surfaces and in volume by means of different methods: plots, color contours, iso-lines, iso-surfaces, vector fields. Besides that, FlowVision provides tools for calculation of integral characteristics on surfaces and in volumetric regions.

    The software is based on the finite-volume approach to approximation of the partial differential equations describing fluid motion and accompanying physical processes. It provides explicit and implicit methods for time integration of these equations. The software includes automated generator of unstructured grid with capability of its local dynamic adaptation. The solver involves two-level parallelism which allows calculations on computers with distributed and shared memory (coexisting in the same hardware). FlowVision incorporates a wide spectrum of physical models: different turbulence models, models for mass transfer accounting for chemical reactions and radioactive decay, several combustion models, a dispersed phase model, an electro-hydrodynamic model, an original VOF model for tracking moving interfaces. It should be noted that turbulence can be simulated within URANS, LES, and ILES approaches. FlowVision simulates fluid motion with velocities corresponding to all possible flow regimes: from incompressible to hypersonic. This is achieved by using an original all-speed velocity-pressure split algorithm for integration of the Navier-Stokes equations.

    FlowVision enables solving multi-physic problems with use of different modeling tools. For instance, one can simulate multi-phase flows with use of the VOF method, flows past bodies moving across a stationary grid (within Euler approach), flows in rotary machines with use of the technology of sliding grid. Besides that, the software solves fluid-structure interaction problems using the technology of two-way coupling of FlowVision with finite-element codes. Two examples of solving challenging problems in the FlowVision software are demonstrated in the given article. The first one is splashdown of a spacecraft after deceleration by means of jet engines. This problem is characterized by presence of moving bodies and contact surface between the air and the water in the computational domain. The supersonic jets interact with the air-water interphase. The second problem is simulation of the work of a human heart with artificial and natural valves designed on the basis of tomographic investigations with use of a finite-element model of the heart. This problem is characterized by two-way coupling between the “liquid” computational domain and the finite-element model of the hart muscles.

    Views (last year): 30. Citations: 8 (RSCI).
  3. In the last decades, universal scenarios of the transition to chaos in dynamic systems have been well studied. The scenario of the transition to chaos is defined as a sequence of bifurcations that occur in the system under the variation one of the governing parameters and lead to a qualitative change in dynamics, starting from the regular mode and ending with chaotic behavior. Typical scenarios include a cascade of period doubling bifurcations (Feigenbaum scenario), the breakup of a low-dimensional torus (Ruelle–Takens scenario), and the transition to chaos through the intermittency (Pomeau–Manneville scenario). In more complicated spatially distributed dynamic systems, the complexity of dynamic behavior growing with a parameter change is closely intertwined with the formation of spatial structures. However, the question of whether the spatial and temporal axes could completely exchange roles in some scenario still remains open. In this paper, for the first time, we propose a mathematical model of convection–diffusion–reaction, in which a spatial transition to chaos through the breakup of the quasi–periodic regime is realized in the framework of the Ruelle–Takens scenario. The physical system under consideration consists of two aqueous solutions of acid (A) and base (B), initially separated in space and placed in a vertically oriented Hele–Shaw cell subject to the gravity field. When the solutions are brought into contact, the frontal neutralization reaction of the second order A + B $\to$ C begins, which is accompanied by the production of salt (C). The process is characterized by a strong dependence of the diffusion coefficients of the reagents on their concentration, which leads to the appearance of two local zones of reduced density, in which chemoconvective fluid motions develop independently. Although the layers, in which convection develops, all the time remain separated by the interlayer of motionless fluid, they can influence each other via a diffusion of reagents through this interlayer. The emerging chemoconvective structure is the modulated standing wave that gradually breaks down over time, repeating the sequence of the bifurcation chain of the Ruelle–Takens scenario. We show that during the evolution of the system one of the spatial axes, directed along the reaction front, plays the role of time, and time itself starts to play the role of a control parameter.

  4. Verichev N.N., Verichev S.N., Erofeev V.I.
    Stationary states and bifurcations in a one-dimensional active medium of oscillators
    Computer Research and Modeling, 2023, v. 15, no. 3, pp. 491-512

    This article presents the results of an analytical and computer study of the collective dynamic properties of a chain of self-oscillating systems (conditionally — oscillators). It is assumed that the couplings of individual elements of the chain are non-reciprocal, unidirectional. More precisely, it is assumed that each element of the chain is under the influence of the previous one, while the reverse reaction is absent (physically insignificant). This is the main feature of the chain. This system can be interpreted as an active discrete medium with unidirectional transfer, in particular, the transfer of a matter. Such chains can represent mathematical models of real systems having a lattice structure that occur in various fields of natural science and technology: physics, chemistry, biology, radio engineering, economics, etc. They can also represent models of technological and computational processes. Nonlinear self-oscillating systems (conditionally, oscillators) with a wide “spectrum” of potentially possible individual self-oscillations, from periodic to chaotic, were chosen as the “elements” of the lattice. This allows one to explore various dynamic modes of the chain from regular to chaotic, changing the parameters of the elements and not changing the nature of the elements themselves. The joint application of qualitative methods of the theory of dynamical systems and qualitative-numerical methods allows one to obtain a clear picture of all possible dynamic regimes of the chain. The conditions for the existence and stability of spatially-homogeneous dynamic regimes (deterministic and chaotic) of the chain are studied. The analytical results are illustrated by a numerical experiment. The dynamical regimes of the chain are studied under perturbations of parameters at its boundary. The possibility of controlling the dynamic regimes of the chain by turning on the necessary perturbation at the boundary is shown. Various cases of the dynamics of chains comprised of inhomogeneous (different in their parameters) elements are considered. The global chaotic synchronization (of all oscillators in the chain) is studied analytically and numerically.

  5. Kuznetsov M.B., Polezhaev A.A.
    The mechanism of formation of oscillons — localized oscillatory structures
    Computer Research and Modeling, 2015, v. 7, no. 6, pp. 1177-1184

    A formal model mechanism of oscillon formation is proposed. These structures were found in a variety of physical systems and a chemical Belousov–Jabotinsky reaction proceeding in an aerosol OT water-inoil microemulsion. Via the proposed mechanism oscillons occur as a result of interaction of two subsystems. In the first subsystem for a proper set of parameters solitary stationary structures may arise as a result of hard local excitation. These structures influence spatial distribution of the second subsystem parameter that leads to local oscillations in the subsystem.

    Views (last year): 6. Citations: 1 (RSCI).
  6. Babakov A.V.
    Simulation of unsteady structure of flow over descent module in the Martian atmosphere conditions
    Computer Research and Modeling, 2022, v. 14, no. 4, pp. 701-714

    The article presents the results of numerical modeling of the vortex spatial non-stationary motion of the medium arising near the lateral and bottom surfaces of the descent module during its movement in the atmosphere of Mars. The numerical study was performed for the high-speed streamline regime at various angles of attack. Mathematical modeling was carried out on the basis of the Navier – Stokes model and the model of equilibrium chemical reactions for the Martian atmosphere gas. The simulation results showed that under the considered conditions of the descent module motion, a non-stationary flow with a pronounced vortex character is realized near its lateral and bottom surfaces. Numerical calculations indicate that, depending on the angle of attack, the nonstationarity and vortex nature of the flow can manifest itself both on the entire lateral and bottom surfaces of the module, and, partially, on their leeward side. For various angles of attack, pictures of the vortex structure of the flow near the surface of the descent vehicle and in its near wake are presented, as well as pictures of the gas-dynamic parameters fields. The non-stationary nature of the flow is confirmed by the presented time dependences of the gas-dynamic parameters of the flow at various points on the module surface. The carried out parametric calculations made it possible to determine the dependence of the aerodynamic characteristics of the descent module on the angle of attack. Mathematical modeling is carried out on the basis of the conservative numerical method of fluxes, which is a finitevolume method based on a finite-difference writing of the conservation laws of additive characteristics of the medium using «upwind» approximations of stream variables. To simulate the complex vortex structure of the flow over descent module, the nonuniform computational grids are used, including up to 30 million finite volumes with exponential thickening to the surface, which made it possible to reveal small-scale vortex formations. Numerical investigations were carried out on the basis of the developed software package based on parallel algorithms of the used numerical method and implemented on modern multiprocessor computer systems. The results of numerical simulation presented in the article were obtained using up to two thousand computing cores of a multiprocessor complex.

  7. Borisov A.V., Trifonov A.Y., Shapovalov A.V.
    Numerical modeling of population 2D-dynamics with nonlocal interaction
    Computer Research and Modeling, 2010, v. 2, no. 1, pp. 33-40

    Numerical solutions for the two-dimensional reaction-diffusion equation with nonlocal nonlinearity are obtained. The solutions reveal formation of dissipative structures. Structures arising from initial distributions with one and several centers of localization are considered. Formation of extending circular structures is shown. Peculiarities of formation and interaction of extending circular structures depending on  nonlocal interaction are considered.

    Views (last year): 3. Citations: 5 (RSCI).
  8. Safiullina L.F., Gubaydullin I.M.
    Research and reduction of mathematical model of chemical reaction by Sobol’ method
    Computer Research and Modeling, 2016, v. 8, no. 4, pp. 633-646

    The technique of simplification of mathematical model of a chemical reaction by reducing the number of steps of the reaction scheme, based on an analysis of sensitivity to changes in the objective function of the model parameters, is proposed. The reduced scheme of model reaction of formaldehyde oxidation is received. Functional characterizes the measure of proximity to the calculated values for the initial kinetic reaction scheme and the scheme resulting disturbance of its parameters. The advantage of this technique is the ability to analyze complex kinetic schemes and reduction of kinetic models to a size suitable for practical use. The results of computational experiments under different reaction conditions can be included in the functional and thus to receive the reduce scheme, which is consistent the detailed scheme for the desired range of conditions. Sensitivity analysis of the functional model allows to identify those parameters, which provide the largest (or smallest) the contribution to the result of the process simulation. The mathematical model can contain parameters, which change of values do not affect the qualitative and quantitative description of the process. The contribution of these parameters in the functional value won’t be of great importance. Thus it can be eliminated from consideration, which do not serve for modeling kinetic curves substances. The kinetic scheme of formaldehyde oxidation, the detailed mechanism which includes 25 stages and 15 substances, were investigated using this method. On the basis of the local and global sensitivity analysis, the most important stage of the process that affect the overall dynamics of the target concentrations of the reaction. The reduced scheme of model reaction of formaldehyde oxidation is received. This scheme also describes the behavior of the main substances, as detailed scheme, but has a much smaller number of reaction stages. The results of the comparative analysis of modeling of formaldehyde oxidation on detailed and reduced schemes are given. Computational aspects of the problems of chemical kinetics by Sobol’ global method an example of this reaction are specified. The comparison results are local, global and total sensitivity indices are given.

    Views (last year): 10. Citations: 4 (RSCI).
  9. Borisov A.V., Trifonov A.Y., Shapovalov A.V.
    Convection effect on two-dimensional dynamics in the nonlocal reaction-diffusion model
    Computer Research and Modeling, 2011, v. 3, no. 1, pp. 55-61

    Pattern formation described by the scalar Fisher–Kolmogorov–Petrovsky–Piscounov equation with nonlocal competition loses and convection linear on coordinates is considered numerically. Initial function localized around a point is shown to transform in a function localized around a ring with symmetrically sited local maxima. The ring radius and number of maxima depend on convection.

    Views (last year): 3. Citations: 1 (RSCI).
  10. Kurushina S.E., Shapovalova E.A.
    Origin and growth of the disorder within an ordered state of the spatially extended chemical reaction model
    Computer Research and Modeling, 2017, v. 9, no. 4, pp. 595-607

    We now review the main points of mean-field approximation (MFA) in its application to multicomponent stochastic reaction-diffusion systems.

    We present the chemical reaction model under study — brusselator. We write the kinetic equations of reaction supplementing them with terms that describe the diffusion of the intermediate components and the fluctuations of the concentrations of the initial products. We simulate the fluctuations as random Gaussian homogeneous and spatially isotropic fields with zero means and spatial correlation functions with a non-trivial structure. The model parameter values correspond to a spatially-inhomogeneous ordered state in the deterministic case.

    In the MFA we derive single-site two-dimensional nonlinear self-consistent Fokker–Planck equation in the Stratonovich's interpretation for spatially extended stochastic brusselator, which describes the dynamics of probability distribution density of component concentration values of the system under consideration. We find the noise intensity values appropriate to two types of Fokker–Planck equation solutions: solution with transient bimodality and solution with the multiple alternation of unimodal and bimodal types of probability density. We study numerically the probability density dynamics and time behavior of variances, expectations, and most probable values of component concentrations at various noise intensity values and the bifurcation parameter in the specified region of the problem parameters.

    Beginning from some value of external noise intensity inside the ordered phase disorder originates existing for a finite time, and the higher the noise level, the longer this disorder “embryo” lives. The farther away from the bifurcation point, the lower the noise that generates it and the narrower the range of noise intensity values at which the system evolves to the ordered, but already a new statistically steady state. At some second noise intensity value the intermittency of the ordered and disordered phases occurs. The increasing noise intensity leads to the fact that the order and disorder alternate increasingly.

    Thus, the scenario of the noise induced order–disorder transition in the system under study consists in the intermittency of the ordered and disordered phases.

    Views (last year): 7.
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