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The paper contains the analysis of the domestic publications issued in 2013–2017 years and devoted to cellular automata. The most of them concern on mathematical modeling. Scientometric schedules for 1990–2017 years have proved relevance of subject. The review allows to allocate the main personalities and the scientific directions/schools in modern Russian science, to reveal their originality or secondness in comparison with world science. Due to the authors choice of national publications basis instead of world, the paper claims the completeness and the fact is that about 200 items from the checked 526 references have an importance for science.

In the Annex to the review provides preliminary information about CA — the Game of Life, a theorem about gardens of Eden, elementary CAs (together with the diagram of de Brujin), block Margolus’s CAs, alternating CAs. Attention is paid to three important for modeling semantic traditions of von Neumann, Zuse and Zetlin, as well as to the relationship with the concepts of neural networks and Petri nets. It is allocated conditional 10 works, which should be familiar to any specialist in CA. Some important works of the 1990s and later are listed in the Introduction.

Then the crowd of publications is divided into categories: the modification of the CA and other network models (29 %), Mathematical properties of the CA and the connection with mathematics (5 %), Hardware implementation (3 %), Software implementation (5 %), Data Processing, recognition and Cryptography (8 %), Mechanics, physics and chemistry (20 %), Biology, ecology and medicine (15 %), Economics, urban studies and sociology (15 %). In parentheses the share of subjects in the array are indicated. There is an increase in publications on CA in the humanitarian sphere, as well as the emergence of hybrid approaches, leading away from the classic CA definition.

A hyperbolic model of a viscous heat-conducting gas is presented, in which the Maxwell – Cattaneo approach is used to hyperbolize the equations, which provides finite wave propagation velocities. In the modified model, instead of the original Stokes and Fourier laws, their relaxation analogues were used and it is shown that when the relaxation times $\tau_\sigma^{}$ и $\tau_w^{}$ tend to The hyperbolized equations are reduced to zero to the classical Navier – Stokes system of non-hyperbolic type with infinite velocities of viscous and heat waves. It is noted that the hyperbolized system of equations of motion of a viscous heat-conducting gas considered in this paper is invariant not only with respect to the Galilean transformations, but also with respect to rotation, since the Yaumann derivative is used when differentiating the components of the viscous stress tensor in time. To integrate the equations of the model, the hybrid Godunov method (HGM) and the multidimensional nodal method of characteristics were used. The HGM is intended for the integration of hyperbolic systems in which there are equations written both in divergent form and not resulting in such (the original Godunov method is used only for systems of equations presented in divergent form). A linearized solver’s Riemann is used to calculate flow variables on the faces of adjacent cells. For divergent equations, a finitevolume approximation is applied, and for non-divergent equations, a finite-difference approximation is applied. To calculate a number of problems, we also used a non-conservative multidimensional nodal method of characteristics, which is based on splitting the original system of equations into a number of one-dimensional subsystems, for solving which a one-dimensional nodal method of characteristics was used. Using the described numerical methods, a number of one-dimensional problems on the decay of an arbitrary rupture are solved, and a two-dimensional flow of a viscous gas is calculated when a shock jump interacts with a rectangular step that is impermeable to gas.

Modern GPUs are massively-parallel processors, offering substantial amount of computational power in energy-efficient package. We discuss the benefits of utilizing this computing power for modeling problems in bio-informatics, such as molecular dynamics, quantum chemistry and sequence analysis.

Based on the modeling method using a mesh system, an algorithm is implemented for solving a unsteady problem with moving bodies The algorithm takes into account the movement and rotation of bodies according to a given law of motion. The algorithm is applied to analysis the flow around an infinite composed of cylinders with an elliptical cross-section, which either move across the flow or rotate with a change in the angle of attack. To simulate the flow of bodies with a sharp edge, characteristic of the profiles of gas turbine machines, an algorithm for constructing a mesh of type C with the inclusion of a certain area behind the profile is implemented. The program for modeling the flow near the profile is implemented within the framework of models of Euler equations, Navier – Stokes equations in the approximation of a thin layer with laminar viscosity and turbulent viscosity in the framework of an algebraic viscosity model. The program has also been adapted to solve the problems of internal gas dynamics of turbomachines. For this purpose, the method of setting the boundary conditions at the entrance and exit from the calculated area from the velocity to the pressure drop, as well as at the lateral boundaries from the free flow to the periodicity, was changed. This made it possible to simulate the flow of gas in the inter-blade channels of compressors and turbines of gas turbine engines. To refine the algorithm, a series of calculations of the aerodynamic parameters of several turbine cascades in various subsonic and supersonic modes and their comparison with the experiment were carried out. Calculations of turbine grating parameters were carried out within the framework of the inviscid and viscous gas model. The calculation and experiment were compared by the distribution of gas parameters near the profile, as well as by the energy losses of the flow in the cascade. Calculations have shown the applicability and correctness of the program to solve this class of problems. To test the program on the problems of external subsonic aerodynamics, calculations of the aerodynamic characteristics of an isolated airfoil in an undisturbed flow were performed. The results obtained allow us to assert the applicability of the hybrid grid method to various classes of problems of applied gas dynamics.

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.

Based on CFD computations we provide the analysis of the possibilities for using modern hybrid distributed computational environments for large complex system simulation. We argue that only multilevel approach supported by new mathematical models of transport properties, dynamical representation of the problem with transport and internal processes separated, and modern paradigm of programming, taking into account specific properties of heterogeneous system, will make it possible to scale the problem effectively.

The present article describes the authors’ model of construction of the distributed computer network and realization in it of the distributed calculations which are carried out within the limits of the software-information environment providing management of the information, automated and engineering systems of intellectual buildings. The presented model is based on the functional approach with encapsulation of the non-determined calculations and various side effects in monadic calculations that allows to apply all advantages of functional programming to a choice and execution of scenarios of management of various aspects of life activity of buildings and constructions. Besides, the described model can be used together with process of intellectualization of technical and sociotechnical systems for increase of level of independence of decision-making on management of values of parameters of the internal environment of a building, and also for realization of methods of adaptive management, in particular application of various techniques and approaches of an artificial intellect. An important part of the model is a directed acyclic graph, which is an extension of the blockchain with the ability to categorically reduce the cost of transactions taking into account the execution of smart contracts. According to the authors it will allow one to realize new technologies and methods — the distributed register on the basis of the directed acyclic graph, calculation on edge and the hybrid scheme of construction of artificial intellectual systems — and all this together can be used for increase of efficiency of management of intellectual buildings. Actuality of the presented model is based on necessity and importance of translation of processes of management of life cycle of buildings and constructions in paradigm of Industry 4.0 and application for management of methods of an artificial intellect with universal introduction of independent artificial cognitive agents. Model novelty follows from cumulative consideration of the distributed calculations within the limits of the functional approach and hybrid paradigm of construction of artificial intellectual agents for management of intellectual buildings. The work is theoretical. The article will be interesting to scientists and engineers working in the field of automation of technological and industrial processes both within the limits of intellectual buildings, and concerning management of complex technical and social and technical systems as a whole.

The equilibrium configurations of charged electrons, confined in the hard disk potential, are analysed by means of the hybrid numerical algorithm. The algorithm is based on the interpolation formulas, that are obtained from the analysis of the equilibrium configurations, provided by the variational principle developed in the circular model. The solution of the nonlinear equations of the circular model yields the formation of the shell structure which is composed of the series of rings. Each ring contains a certain number of particles, which decreases as one moves from the boundary ring to the central one. The number of rings depends on the total number of electrons. The interpolation formulas provide the initial configurations for the molecular dynamics calculations. This approach makes it possible to significantly increase the speed at which an equilibrium configuration is reached for an arbitrarily chosen number of particles compared to the Metropolis annealing simulation algorithm and other algorithms based on global optimization methods.

The development of structured molecular systems based on a nucleic acid framework takes into account the ability of single-stranded DNA to form a stable double-stranded structure due to stacking interactions and hydrogen bonds of complementary pairs of nucleotides. To increase the stability of the DNA double helix and to expand the temperature range in the hybridization protocols, it was proposed to use more stable metal-mediated complexes of nucleotide pairs as an alternative to Watson-Crick hydrogen bonds. One of the most frequently considered options is the use of silver ions to stabilize a pair of cytosines from opposite DNA strands. Silver ions specifically bind to N3 cytosines along the helix axis to form, as is believed, a strong N3–Ag⁺–N3 bond, relative to which, two rotational isomers, the cis- and trans-configurations of C–Ag⁺–C can be formed. In present work, a theoretical study and a comparative analysis of the free energy profile of the dissociation of two С–Ag⁺–C isomers were carried out using the combined method of molecular mechanics and quantum chemistry (QM/MM). As a result, it was shown that the cis-configuration is more favorable in energy than the trans- for a single pair of cytosines, and the geometry of the global minimum at free energy profile for both isomers differs from the equilibrium geometries obtained previously by quantum chemistry methods. Apparently, the silver ion stabilization model of the DNA duplex should take into account not only the direct binding of silver ions to cytosines, but also the presence of related factors, such as stacking interaction in extended DNA, interplanar hydrogen bonds, and metallophilic interaction of neighboring silver ions.

The 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.