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A classical for nonlinear dynamics model, Brusselator, is considered, being augmented by addition of a third variable, which plays the role of a fast-diffusing inhibitor. The model is investigated in one-dimensional case in the parametric domain, where two types of diffusive instabilities of system’s homogeneous stationary state are manifested: wave instability, which leads to spontaneous formation of autowaves, and Turing instability, which leads to spontaneous formation of stationary dissipative structures, or Turing structures. It is shown that, due to the subcritical nature of Turing bifurcation, the interaction of two instabilities in this system results in spontaneous formation of stationary dissipative structures already before the passage of Turing bifurcation. In response to different perturbations of spatially uniform stationary state, different stable regimes are manifested in the vicinity of the double bifurcation point in the parametric region under study: both pure regimes, which consist of either stationary or autowave dissipative structures; and mixed regimes, in which different modes dominate in different areas of the computational space. In the considered region of the parametric space, the system is multistable and exhibits high sensitivity to initial noise conditions, which leads to blurring of the boundaries between qualitatively different regimes in the parametric region. At that, even in the area of dominance of mixed modes with prevalence of Turing structures, the establishment of a pure autowave regime has significant probability. In the case of stable mixed regimes, a sufficiently strong local perturbation in the area of the computational space, where autowave mode is manifested, can initiate local formation of new stationary dissipative structures. Local perturbation of the stationary homogeneous state in the parametric region under investidation leads to a qualitatively similar map of established modes, the zone of dominance of pure autowave regimes being expanded with the increase of local perturbation amplitude. In two-dimensional case, mixed regimes turn out to be only transient — upon the appearance of localized Turing structures under the influence of wave regime, they eventually occupy all available space.

Protein-protein interactions are of central importance for virtually every process in living matter. Modeling the dynamics of protein association is crucial for understanding their functionality. This paper proposes novel simulation software ProKSim (Protein Kinetics Simulator) for modeling of protein interactions by means of the multi-particle Brownian Dynamics. Effect of long-range electrostatic interactions on the process of transient encounter complex formation is numerically estimated. Investigation of transient encounter complex formation was performed for three pairs of proteins: ferredoxin and ferredoxin:NADP⁺-redustase, plastocyanin and cytochrome f, barnase and barstar.

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.

In this paper, a time-dependent natural convective heat transfer in a closed square cavity filled with non- Newtonian fluid was considered in the presence of an isothermal energy source located on the lower wall of the region under consideration. The vertical boundaries were kept at constant low temperature, while the horizontal walls were completely insulated. The behavior of a non-Newtonian fluid was described by the Ostwald de Ville power law. The process under study was described by transient partial differential equations using dimensionless non-primitive variables “stream function – vorticity – temperature”. This method allows excluding the pressure field from the number of unknown parameters, while the non-dimensionalization allows generalizing the obtained results to a variety of physical formulations. The considered mathematical model with the corresponding boundary conditions was solved on the basis of the finite difference method. The algebraic equation for the stream function was solved by the method of successive lower relaxation. Discrete analogs of the vorticity equation and energy equation were solved by the Thomas algorithm. The developed numerical algorithm was tested in detail on a class of model problems and good agreement with other authors was achieved. Also during the study, the mesh sensitivity analysis was performed that allows choosing the optimal mesh.

As a result of numerical simulation of unsteady natural convection of a non-Newtonian power-law fluid in a closed square cavity with a local isothermal energy source, the influence of governing parameters was analyzed including the impact of the Rayleigh number in the range 104–106, power-law index $n = 0.6–1.4$, and also the position of the heating element on the flow structure and heat transfer performance inside the cavity. The analysis was carried out on the basis of the obtained distributions of streamlines and isotherms in the cavity, as well as on the basis of the dependences of the average Nusselt number. As a result, it was established that pseudoplastic fluids $(n < 1)$ intensify heat removal from the heater surface. The increase in the Rayleigh number and the central location of the heating element also correspond to the effective cooling of the heat source.

Mathematical simulation on unsteady natural convection in a closed porous cylindrical cavity having finite thickness heat-conducting solid walls in conditions of convective heat exchange with an environment has been carried out. A boundary-value problem of mathematical physics formulated in dimensionless variables such as stream function and temperature on the basis of Darcy–Boussinesq model has been solved by finite difference method. Effect of a porous medium permeability 10^–5≤Da<∞, ratio between a solid wall thickness and the inner radius of a cylinder 0.1≤h/L≤0.3, a thermal conductivity ratio 1≤λ_1,2≤20 and a dimensionless time on both local distributions of isolines and isotherms and integral complexes reflecting an intensity of convective flow and heat transfer has been analyzed in detail.

This work focuses on the application of a method of construction and conversion of three-dimensional computer models for optimization of geometric parameters of simulated devices. The method is used in design of complex technical devices for control system components of an exhaust gas recirculation vehicle – electric EGR valve with magnetic and electric motor. Three-dimensional geometric computer models were created in KOMPAS-3D environment and converted to Maxwell-2D. In Maxwell-2D environment transient electromagnetic processes for further optimization of parameters of therecirculation system devicewere calculated using a criterion of reducing power loss of the automobile engine.

Numerical analysis of the effects of the local heat source shape on transient natural convection in a square enclosure has been carried out. The local heat source has rectangular, triangular and trapezoidal shape. The boundary value problem formulated in the dimensionless variables such as stream function, vorticity and temperature by using the Boussinesq approximation has been solved by means of finite difference method. Distributions of streamlines and isotherms and time dependences for the average Nusselt number along the heat source surface in a wide range of governing parameters have been obtained.

The mathematical model, finite-difference schemes and algorithms for computation of transient thermoand hydrodynamic processes involved in commissioning the unified system including the oil producing well, electrical submersible pump and fractured-porous reservoir with bottom water are developed. These models are implemented in the computer package to simulate transient processes with simultaneous visualization of their results along with computations. An important feature of the package Oil-RWP is its interaction with the special external program GCS which simulates the work of the surface electric control station and data exchange between these two programs. The package Oil-RWP sends telemetry data and current parameters of the operating submersible unit to the program module GCS (direct coupling). The station controller analyzes incoming data and generates the required control parameters for the submersible pump. These parameters are sent to Oil-RWP (feedback). Such an approach allows us to consider the developed software as the “Intellectual Well System”.

Some principal results of the simulations can be briefly presented as follows. The transient time between inaction and quasi-steady operation of the producing well depends on the well stream watering, filtration and capacitive parameters of oil reservoir, physical-chemical properties of phases and technical characteristics of the submersible unit. For the large time solution of the nonstationary equations governing the nonsteady processes is practically identical to the inverse quasi-stationary problem solution with the same initial data. The developed software package is an effective tool for analysis, forecast and optimization of the exploiting parameters of the unified oil-producing complex during its commissioning into the operating regime.

An isolated system, which possesses a discrete set of microscopic states, is considered. The system performs spontaneous random transitions between the microstates. Kinetic equations for the probabilities of the system staying in various microstates are formulated. A general dimensionless expression for entropy of such a system, which depends on the probability distribution, is considered. Two problems are stated: 1) to study the effect of possible unequal probabilities of different microstates, in particular, when the system is in its internal equilibrium, on the system entropy value, and 2) to study the kinetics of microstate probability distribution and entropy evolution of the system in nonequilibrium states. The kinetics for the rates of transitions between the microstates is assumed to be first-order. Two variants of the effects of possible nonequiprobability of the microstates are considered: i) the microstates form two subgroups the probabilities of which are similar within each subgroup but differ between the subgroups, and ii) the microstate probabilities vary arbitrarily around the point at which they are all equal. It is found that, under a fixed total number of microstates, the deviations of entropy from the value corresponding to the equiprobable microstate distribution are extremely small. The latter is a rigorous substantiation of the known hypothesis about the equiprobability of microstates under the thermodynamic equilibrium. On the other hand, based on several characteristic examples, it is shown that the structure of random transitions between the microstates exerts a considerable effect on the rate and mode of the establishment of the system internal equilibrium, on entropy time dependence and expression of the entropy production rate. Under definite schemes of these transitions, there are possibilities of fast and slow components in the transients and of the existence of transients in the form of damped oscillations. The condition of universality and stability of equilibrium microstate distribution is that for any pair of microstates, a sequence of transitions should exist, which provides the passage from one microstate to next, and, consequently, any microstate traps should be absent.

The paper considers the process of flow formation in an outflow of a binary gas mixture through a thin slit into vacuum. An approach to modeling the flows of rarefied gas mixtures in the transient regime is proposed based on the direct solution of the Boltzmann kinetic equation, in which the conservative projection method is used to calculate the collision integrals. Calculation formulas are provided; the calculation procedure is described in detail in relation to the flow of a binary gas mixture. The Lennard–Jones potential is used as an interaction potential of molecules. A software modeling environment has been developed that makes it possible to study the flows of gas mixtures in a transitional regime on systems of cluster architecture. Due to the use of code parallelization technologies, an acceleration of calculations by 50–100 times was obtained. Numerical simulation of a two-dimensional outflow of a binary argon-neon gas mixture from a vessel into vacuum through a thin slit is carried out for various values of the Knudsen number. The graphs of the dependence of gas mixture components output flow on time in the process of establishing the flow are obtained. Non-stationary regions of strong separation of gas mixture components, in which the molecular densities ratio reaches 10 or more, were discovered. The discovered effect can have applications in the problem of gas mixtures separation.