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In the present paper, we discuss the possibility of a simplified three-dimensional unsteady simulation of plasma-assisted combustion of gaseous fuel in a supersonic airflow. Simulation was performed by using FlowVision CFD software. Analysis of experimental geometry show that it has essentially 3D nature that conditioned by the discrete fuel injection into the flow as well as by the presence of the localized plasma filaments. Study proposes a variant of modeling geometry simplification based on symmetry of the aerodynamic duct and periodicity of the spatial inhomogeneities. Testing of modified FlowVision $k–\varepsilon$ turbulence model named «KEFV» was performed for supersonic flow conditions. Based on that detailed grid without wall functions was used the field of heat and near fuel injection area and surfaces remote from the key area was modeled with using of wall functions, that allowed us to significantly reduce the number of cells of the computational grid. Two steps significantly simplified a complex problem of the hydrocarbon fuel ignition by means of plasma generation. First, plasma formations were simulated by volumetric heat sources and secondly, fuel combustion is reduced to one brutto reaction. Calibration and parametric optimization of the fuel injection into the supersonic flow for IADT-50 JIHT RAS wind tunnel is made by means of simulation using FlowVision CFD software. Study demonstrates a rather good agreement between the experimental schlieren photo of the flow with fuel injection and synthetical one. Modeling of the flow with fuel injection and plasma generation for the facility T131 TSAGI combustion chamber geometry demonstrates a combustion mode for the set of experimental parameters. Study emphasizes the importance of the computational mesh adaptation and spatial resolution increasing for the volumetric heat sources that model electric discharge area. A reasonable qualitative agreement between experimental pressure distribution and modeling one confirms the possibility of limited application of such simplified modeling for the combustion in high-speed flow.

Actin is a conserved structural protein that is expressed in all eukaryotic cells. When polymerized, it forms long filaments of fibrillar actin, or F-actin, which are involved in the formation of the cytoskeleton, in muscle contraction and its regulation, and in many other processes. The dynamic and mechanical properties of actin are important for interaction with other proteins and the realization of its numerous functions in the cell. We performed 204.8 ns long molecular dynamics (MD) simulations of an actin filament segment consisting of 24 monomers in the absence and the presence of MgADP at 300 K in the presence of a solvent and at physiological ionic strength using the AMBER99SBILDN and CHARMM36 force fields in the GROMACS software environment, using modern structural models as the initial structure obtained by high-resolution cryoelectron microscopy. MD calculations have shown that the stationary regime of fluctuations in the structure of the F-actin long segment is developed 80–100 ns after the start of the MD trajectory. Based on the results of MD calculations, the main parameters of the actin helix and its bending, longitudinal, and torsional stiffness were estimated using a section of the calculation model that is far enough away from its ends. The estimated subunit axial (2.72–2.75 nm) and angular (165–168^◦) translation of the F-actin helix, its bending (2.8–4.7 · 10⁻²⁶ N·m²), longitudinal (36–47·10⁻⁹ N), and torsional (2.6–3.1·10⁻²⁶ N·m²) stiffness are in good agreement with the results of the most reliable experiments. The results of MD calculations have shown that modern structural models of F-actin make it possible to accurately describe its dynamics and mechanical properties, provided that computational models contain a sufficiently large number of monomers, modern force fields, and relatively long MD trajectories are used. The inclusion of actin partner proteins, in particular, tropomyosin and troponin, in the MD model can help to understand the molecular mechanisms of such important processes as the regulation of muscle contraction.

This paper presents a methodology for modeling centrifugal pumps using the example of the NM 1250 260 main oil centrifugal pump. We use FlowVision CFD software as the numerical modeling instrument. Bench tests and numerical modeling use water as a working fluid. The geometrical model of the pump is fully three-dimensional and includes the pump housing to account for leakages. In order to reduce the required computational resources, the methodology specifies leakages using flow rate rather than directly modeling them. Surface roughness influences flow through the wall function model. The wall function model uses an equivalent sand roughness, and a formula for converting real roughness into equivalent sand roughness is applied in this work. FlowVision uses the sliding mesh method for simulation of the rotation of the impeller. This approach takes into account the nonstationary interaction between the rotor and diffuser of the pump, allowing for accurate resolution of recirculation vortices that occur at low flow rates.

The developed methodology has achieved high consistency between numerical simulations results and experiments at all pump operating conditions. The deviation in efficiency at nominal conditions is 0.42%, and in head is 1.9%. The deviation of calculated characteristics from experimental ones increases as the flow rate increases and reaches a maximum at the far-right point of the characteristic curve (up to 4.8% in head). This phenomenon occurs due to a slight mismatch between the geometric model of the impeller used in the calculation and the real pump model from the experiment. However, the average arithmetic relative deviation between numerical modeling and experiment for pump efficiency at 6 points is 0.39%, with an experimental efficiency measurement error of 0.72%. This meets the accuracy requirements for calculations. In the future, this methodology can be used for a series of optimization and strength calculations, as modeling does not require significant computational resources and takes into account the non-stationary nature of flow in the pump.

We consider two possible computational methods of the interpretation of experimental data obtained by means of the magnetic force microscopy. These methods of macrospin distribution simulation and reconstruction can be used for research of magnetization reversal processes of nanodots in ordered 2D arrays of nanodots. New approaches to the development of high-performance superscale algorithms for parallel executing on a supercomputer clusters for solving direct and inverse task of the modeling of magnetic states, types of ordering, reversal processes of nanosystems with a collective behavior are proposed. The simulation results are consistent with experimental results.

The Compact Muon Solenoid (CMS) is a high-performance general-purpose detector at the Large Hadron Collider (LHC) at CERN. A distributed data analysis system for processing and further analysis of CMS experimental data has been developed and this model foresees the obligatory usage of modern grid-technologies. The CMS Computing Model makes use of the hierarchy of computing centers (Tiers). The Joint Institute for Nuclear Research (JINR) takes an active part in the CMS experiment. In order to provide a proper computing infrastructure for the CMS experiment at JINR and for Russian institutes collaborating in CMS, Tier-1 center for the CMS experiment is constructing at JINR. The main tasks and services of the CMS Tier-1 at JINR are described. The status and perspectives of the Tier1 center for the CMS experiment at JINR are presented.

The work continues research on the ability of a person to improve the productivity of information processing, using parallel work or improving the performance of analyzers. A person receives a series of tasks, the solution of which requires the processing of a certain amount of information. The time and the validity of the decision are recorded. The dependence of the average solution time on the amount of information in the problem is determined by correctly solved problems. In accordance with the proposed method, the problems contain calculations of expressions in two algebras, one of which is associative and the other is nonassociative. To facilitate the work of the subjects in the experiment were used figurative graphic images of elements of algebra. Non-associative calculations were implemented in the form of the game “rock-paper-scissors”. It was necessary to determine the winning symbol in the long line of these figures, considering that they appear sequentially from left to right and play with the previous winner symbol. Associative calculations were based on the recognition of drawings from a finite set of simple images. It was necessary to determine which figure from this set in the line is not enough, or to state that all the pictures are present. In each problem there was no more than one picture. Computation in associative algebra allows the parallel counting, and in the absence of associativity only sequential computations are possible. Therefore, the analysis of the time for solving a series of problems reveals a consistent uniform, sequential accelerated and parallel computing strategy. In the experiments it was found that all subjects used a uniform sequential strategy to solve non-associative problems. For the associative task, all subjects used parallel computing, and some have used parallel computing acceleration of the growth of complexity of the task. A small part of the subjects with a high complexity, judging by the evolution of the solution time, supplemented the parallel account with a sequential stage of calculations (possibly to control the solution). We develop a special method for assessing the rate of processing of input information by a person. It allowed us to estimate the level of parallelism of the calculation in the associative task. Parallelism of level from two to three was registered. The characteristic speed of information processing in the sequential case (about one and a half characters per second) is twice less than the typical speed of human image recognition. Apparently the difference in processing time actually spent on the calculation process. For an associative problem in the case of a minimum amount of information, the solution time is near to the non-associativity case or less than twice. This is probably due to the fact that for a small number of characters recognition almost exhausts the calculations for the used non-associative problem.

Corrosion damage to metals and alloys is one of the main problems of strength and durability of metal structures and products operated in contact with chemically aggressive environments. Recently, there has been a growing interest in computer modeling of the evolution of corrosion damage, especially pitting corrosion, for a deeper understanding of the corrosion process, its impact on the morphology, physical and chemical properties of the surface and mechanical strength of the material. This is mainly due to the complexity of analytical and high cost of experimental in situ studies of real corrosion processes. However, the computing power of modern computers allows you to calculate corrosion with high accuracy only on relatively small areas of the surface. Therefore, the development of new mathematical models that allow calculating large areas for predicting the evolution of corrosion damage to metals is currently an urgent problem.

In this paper, the evolution of the corrosion front in the interaction of a polycrystalline metal surface with a liquid aggressive medium was studied using a computer model based on a cellular automat. A distinctive feature of the model is the specification of the solid body structure in the form of Voronoi polygons used for modeling polycrystalline alloys. Corrosion destruction was performed by setting the probability function of the transition between cells of the cellular automaton. It was taken into account that the corrosion strength of the grains varies due to crystallographic anisotropy. It is shown that this leads to the formation of a rough phase boundary during the corrosion process. Reducing the concentration of active particles in a solution of an aggressive medium during a chemical reaction leads to corrosion attenuation in a finite number of calculation iterations. It is established that the final morphology of the phase boundary has a fractal structure with a dimension of 1.323 ± 0.002 close to the dimension of the gradient percolation front, which is in good agreement with the fractal dimension of the etching front of a polycrystalline aluminum-magnesium alloy AlMg6 with a concentrated solution of hydrochloric acid. It is shown that corrosion of a polycrystalline metal in a liquid aggressive medium is a new example of a topochemical process, the kinetics of which is described by the Kolmogorov–Johnson– Meil–Avrami theory.

The article deals with the nonlinear boundary-value problem of hydrogen permeability corresponding to the following experiment. A membrane made of the target structural material heated to a sufficiently high temperature serves as the partition in the vacuum chamber. Degassing is performed in advance. A constant pressure of gaseous (molecular) hydrogen is built up at the inlet side. The penetrating flux is determined by mass-spectrometry in the vacuum maintained at the outlet side.

A linear model of dependence on concentration is adopted for the coefficient of dissolved atomic hydrogen diffusion in the bulk. The temperature dependence conforms to the Arrhenius law. The surface processes of dissolution and sorptiondesorption are taken into account in the form of nonlinear dynamic boundary conditions (differential equations for the dynamics of surface concentrations of atomic hydrogen). The characteristic mathematical feature of the boundary-value problem is that concentration time derivatives are included both in the diffusion equation and in the boundary conditions with quadratic nonlinearity. In terms of the general theory of functional differential equations, this leads to the so-called neutral type equations and requires a more complex mathematical apparatus. An iterative computational algorithm of second-(higher- )order accuracy is suggested for solving the corresponding nonlinear boundary-value problem based on explicit-implicit difference schemes. To avoid solving the nonlinear system of equations at every time step, we apply the explicit component of difference scheme to slower sub-processes.

The results of numerical modeling are presented to confirm the fitness of the model to experimental data. The degrees of impact of variations in hydrogen permeability parameters (“derivatives”) on the penetrating flux and the concentration distribution of H atoms through the sample thickness are determined. This knowledge is important, in particular, when designing protective structures against hydrogen embrittlement or membrane technologies for producing high-purity hydrogen. The computational algorithm enables using the model in the analysis of extreme regimes for structural materials (pressure drops, high temperatures, unsteady heating), identifying the limiting factors under specific operating conditions, and saving on costly experiments (especially in deuterium-tritium investigations).

Magnetic systems, in which due to competition between the direct Heisenberg exchange and the Dzyaloshinskii –Moriya interaction, magnetic vortex structures — skyrmions appear, were studied using the Metropolis algorithm.

The conditions for the nucleation and stable existence of magnetic skyrmions in two-dimensional magnetic films in the frame of the classical Heisenberg model were considered in the article. A thermal stability of skyrmions in a magnetic film was studied. The processes of the formation of various states in the system at different values of external magnetic fields were considered, various phases into which the Heisenberg spin system passes were recognized. The authors identified seven phases: paramagnetic, spiral, labyrinth, spiralskyrmion, skyrmion, skyrmion-ferromagnetic and ferromagnetic phases, a detailed analysis of the configurations is given in the article.

Two phase diagrams were plotted: the first diagram shows the behavior of the system at a constant $D$ depending on the values of the external magnetic field and temperature $(T, B)$, the second one shows the change of the system configurations at a constant temperature $T$ depending on the magnitude of the Dzyaloshinskii – Moriya interaction and external magnetic field: $(D, B)$.

The data from these numerical experiments will be used in further studies to determine the model parameters of the system for the formation of a stable skyrmion state and to develop methods for controlling skyrmions in a magnetic film.

In this paper, the system of equations of magnetic hydrodynamics (MHD) is considered. The exact solutions found describe fluid flows in a porous medium and are related to the development of a core simulator and are aimed at creating a domestic technology «digital deposit» and the tasks of controlling the parameters of incompressible fluid. The central problem associated with the use of computer technology is large-dimensional grid approximations and high-performance supercomputers with a large number of parallel microprocessors. Kinetic methods for solving differential equations and methods for «gluing» exact solutions on coarse grids are being developed as possible alternatives to large-dimensional grid approximations. A comparative analysis of the efficiency of computing systems allows us to conclude that it is necessary to develop the organization of calculations based on integer arithmetic in combination with universal approximate methods. A class of exact solutions of the Navier – Stokes system is proposed, describing three-dimensional flows for an incompressible fluid, as well as exact solutions of nonstationary three-dimensional magnetic hydrodynamics. These solutions are important for practical problems of controlled dynamics of mineralized fluids, as well as for creating test libraries for verification of approximate methods. A number of phenomena associated with the formation of macroscopic structures due to the high intensity of interaction of elements of spatially homogeneous systems, as well as their occurrence due to linear spatial transfer in spatially inhomogeneous systems, are highlighted. It is fundamental that the emergence of structures is a consequence of the discontinuity of operators in the norms of conservation laws. The most developed and universal is the theory of computational methods for linear problems. Therefore, from this point of view, the procedures of «immersion» of nonlinear problems into general linear classes by changing the initial dimension of the description and expanding the functional spaces are important. Identification of functional solutions with functions makes it possible to calculate integral averages of an unknown, but at the same time its nonlinear superpositions, generally speaking, are not weak limits of nonlinear superpositions of approximations of the method, i.e. there are functional solutions that are not generalized in the sense of S. L. Sobolev.