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The effect of the nonlinear supratransmission in crystal of A₃B stoichiometry is studied by molecular dynamics on the example of Pt₃Al alloy. This effect is the transfer of energy at frequencies outside the phonon spectrum of the crystal. Research of the mechanisms of energy transport from the material surface to the interior is the important task, both from the theoretical point of view and from the prospects for practical application in the modification of near-surface layers by treatment with intense external influence of various types. The model was a three-dimensional face-centered cubic crystal whose atoms interact by means of the multiparticle potential obtained by the embedded atom method, which provides greater realism of the model in comparison with the use of pair potentials. Various forms of oscillation of the external influence region are considered. The possibility of energy transport from the crystal surface to the interior is shown by excitation of quasi-breathers near the region of influence and their subsequent destruction in the crystal and scattering of the energy stored on them. The quasibreathers are high-amplitude nonlinear atoms' oscillations of the alloy lightweight component at frequencies outside the phonon spectrum of the crystal. This effect was observed not with every oscillation's form of the region of influence. Quasi-breathers appeared most intensely near the region of influence with sinusoidal form oscillations. The results obtained indicate that the contribution of quasi-breathers to the energy transfer through the crystal increases with increasing amplitude of the influence. The range of amplitudes from 0.05 to 0.5 Å is considered. The frequency of the influence varied from 0.2 to 15 THz, which ensured the coverage of the entire spectrum of lowamplitude oscillations for this crystal's model. The minimum magnitude of the external effect amplitude at which this effect was observed was found to be 0.15 Å. At amplitudes greater than 0.5 Å, the cell rapidly decays for frequencies close to the optical branch of the phonon spectrum. The results of the study can be useful for laser processing of materials, surface treatment by low-energy plasma, and also in radiation materials science.

In this work we have developed a new efficient program for the numerical simulation of 3D global chemical transport on an adaptive finite-difference grid which allows us to concentrate grid points in the regions where flow variables sharply change and coarsen the grid in the regions of their smooth behavior, which significantly minimizes the grid size. We represent the adaptive grid with a combination of several dynamic (tree, linked list) and static (array) data structures. The dynamic data structures are used for a grid reconstruction, and the calculations of the flow variables are based on the static data structures. The introduction of the static data structures allows us to speed up the program by a factor of 2 in comparison with the conventional approach to the grid representation with only dynamic data structures.

We wrote and tested our program on a computer with 6 CPU cores. Using the computer microarchitecture simulator gem5, we estimated the scalability property of the program on a significantly greater number of cores (up to 32), using several models of a computer system with the design “computational cores – cache – main memory”. It has been shown that the microarchitecture of a computer system has a significant impact on the scalability property, i.e. the same program demonstrates different efficiency on different computer microarchitectures. For example, we have a speedup of 14.2 on a processor with 32 cores and 2 cache levels, but we have a speedup of 22.2 on a processor with 32 cores and 3 cache levels. The execution time of a program on a computer model in gem5 is 104–105 times greater than the execution time of the same program on a real computer and equals 1.5 hours for the most complex model.

Also in this work we describe how to configure gem5 and how to perform simulations with gem5 in the most optimal way.

The paper is devoted to the study of wave and relaxation effects during the pulsed outflow of a gas mixture with a high content of solid particles from a cylindrical channel during its initial partial filling. The problem is formulated in a two-speed two-temperature formulation and was solved numerically by the hybrid large-particle method of the second order of approximation. The numerical algorithm is implemented in the form of parallel computing using basic Free Pascal language tools. The applicability and accuracy of the method for wave flows of concentrated gas-particles mixtures is confirmed by comparison with test asymptotically accurate solutions. The calculation error on a grid of low detail in the characteristic flow zones of a two-phase medium was 10^-6 . . . 10^-5.

Based on the wave diagram, the analysis of the physical pattern of the outflow of a gas suspension partially filling a cylindrical channel is performed. It is established that, depending on the degree of initial filling of the channel, various outflow modes are formed. The first mode is implemented with a small degree of loading of the high-pressure chamber, at which the left boundary of the gas-particles mixture crosses the outlet section before the arrival of the rarefaction wave reflected from the bottom of the channel. At the same time, the maximum value of the mass flow rate of the mixture is achieved. Other modes are formed in cases of a larger initial filling of the channel, when the rarefaction waves reflected from the bottom of the channel interact with the gas suspension layer and reduce the intensity of its outflow.

The influence of relaxation properties with changing particle size on the dynamics of a limited layer of a gas-dispersed medium is studied. Comparison of the outflow of a limited gas suspension layer with different particle sizes shows that for small particles (the Stokes number is less than 0.001), an anomalous phenomenon of the simultaneous existence of shock wave structures in the supersonic and subsonic flow of gas and suspension is observed. With an increase in the size of dispersed inclusions, the compaction jumps in the region of the two-phase mixture are smoothed out, and for particles (the Stokes number is greater than 0.1), they practically disappear. At the same time, the shock-wave configuration of the supersonic gas flow at the outlet of the channel is preserved, and the positions and boundaries of the energy-carrying volumes of the gas suspension are close when the particle sizes change.

We present a novel model for the dynamical trap of the stimulus – response type that mimics human control over dynamic systems when the bounded capacity of human cognition is a crucial factor. Our focus lies on scenarios where the subject modulates a control variable in response to a certain stimulus. In this context, the bounded capacity of human cognition manifests in the uncertainty of stimulus perception and the subsequent actions of the subject. The model suggests that when the stimulus intensity falls below the (blurred) threshold of stimulus perception, the subject suspends the control and maintains the control variable near zero with accuracy determined by the control uncertainty. As the stimulus intensity grows above the perception uncertainty and becomes accessible to human cognition, the subject activates control. Consequently, the system dynamics can be conceptualized as an alternating sequence of passive and active modes of control with probabilistic transitions between them. Moreover, these transitions are expected to display hysteresis due to decision-making inertia.

Generally, the passive and active modes of human control are governed by different mechanisms, posing challenges in developing efficient algorithms for their description and numerical simulation. The proposed model overcomes this problem by introducing the dynamical trap of the stimulus-response type, which has a complex structure. The dynamical trap region includes two subregions: the stagnation region and the hysteresis region. The model is based on the formalism of stochastic differential equations, capturing both probabilistic transitions between control suspension and activation as well as the internal dynamics of these modes within a unified framework. It reproduces the expected properties in control suspension and activation, probabilistic transitions between them, and hysteresis near the perception threshold. Additionally, in a limiting case, the model demonstrates the capability of mimicking a similar subject’s behavior when (1) the active mode represents an open-loop implementation of locally planned actions and (2) the control activation occurs only when the stimulus intensity grows substantially and the risk of the subject losing the control over the system dynamics becomes essential.

We present an inhomogeneous two-dimensional network model of two-phase flow in porous media. The edges of the network are assumed to be capillary tubes of different radii. We propose a new algorithm for handling phase fluxes at the nodes of this network model. We perform two test problems and show that the two-phase flow in this inhomogeneous network model demonstrates properties that are analogous to those of real porous media: capillary imbibition, dependence of capillary pressure on saturation and effect of capillary forces in two-phase displacement. The two test problems are: the counter-current imbibition and the twophase displacement in a periodically inhomogeneous porous medium. In the former problem, we implement a network consisting of two regions: a region of low-permeability with thin capillaries surrounded by a region of high-permeability with thick capillaries, initially saturated with wetting and nonwetting incompressible fluids, respectively. Capillary equilibrium is established due to counter-current imbibition by a region. We examine the dependence: of saturation of the wetting fluid with respect to time in the regions, and of capillary pressure on the current saturation. We have obtained a qualitative agreement with the known experimental and theoretical results, which will further allow us to use this network model to verify homogenized models of capillary nonequilibrium. In the latter problem, we consider the two-phase displacement, where the network is initially saturated with nonwetting fluid. Then wetting fluid is injected through a boundary at a constant rate. We analyze the saturation with respect to the axis which is along the applied pressure gradient for various moments in time with various values of coefficients of surface tension. The results show that for lower values of coefficient of surface tension, the wetting fluid prefers to invade through the thicker tubes, and in the case of higher values, through thinner tubes.

The article considers the mathematical aspects of the problem of identifying a multicomponent scattering medium based on pulsed multienergy X-ray irradiation data. X-ray diagnostics problems are of considerable interest from both theoretical and practical points of view, and radiographic methods are indispensable in non-destructive testing of products.

Within the framework of a mathematical model based on a non-stationary integro-differential equation of radiation transfer, the inverse problem of finding the attenuation coefficient for radiation known at the boundary of the region and the problem of identifying a substance based on the found values of the attenuation coefficient on a discrete set of irradiation energies of the medium are formulated.

A preliminary processing of a wide list of substances of interest in computed tomography was carried out to determine the possibility of their identification by an approximately specified radiation attenuation coefficient characterizing the medium. When analyzing the degree of proximity of substances in a certain norm, it was found that the set of all possible substances potentially contained in the medium is divided into a finite number of non-intersecting clusters. For a sufficiently short duration of the probing signal, the scattering component of the radiation leaving the medium is asymptotically small. This circumstance allows us to reduce the inverse problem for the radiation transfer equation to the problem of inverting the Radon transform from the attenuation coefficient. The possibility of unambiguous or partial identification of a substance by varying the duration of the probing pulse and the number of energy levels of irradiation of the medium is analyzed using numerical modeling methods on a specially developed digital phantom.

This paper analyzes some issues in developing numerical methods for solving problems with a Boltzmann-type linear kinetic transport equation. Existing applications of this type of equation are listed. The focus is on the problem of radiative transfer in a flat layer, which are important for experimental research practice. Key definitions and traditional limitations applied to radiative transfer problems are presented. Some features of formulating radiative transfer problems for flat layers of irregular heterogeneous composite materials that are partially transparent to electromagnetic radiation are considered. The main approaches to the numerical and numerical-analytical solution of the linear kinetic transport equation are outlined.

Some variants of the simplest grid numerical methods for solving of nonstationary kinetic problems of transport a flat layer of a medium with strong attenuation are considered. Problems with one- and two-step variants of these iterative methods are analyzed, for some of them the causes of instability and convergence absence in some of them are investigated and established. It is shown that in the explicit conservative one-step method for a layer of a homogeneous absorbing, but neither radiating nor scattering, medium, unstable modes always exist in the spectrum of harmonic solutions. These modes arise in the region of radiation propagating almost parallel to the layer boundaries, and their instability increases with increasing attenuation effects and is caused by the presence of a small coefficient before the spatial derivative in the transport equation. To limit the undesirable influence of this component, various variants of splitting the equation into two and three fractional steps are considered.

It is shown that the most preferable options are those with explicitly organized fractional steps, for which a proof of their stability and convergence, that based on the Lax’s equivalence theorem is presented. It is demonstrated that the correct building of the fractional step sequence in explicit schemes for numerical solving of the nonstationary linear kinetic transport problems can provide additional stabilization, with the scattering integral plays an important role in stabilizing them. So, when solving kinetic transport problems in media with high scattering albedo, the explicit grid method of settling with splitting the iterations into three fractional steps, that were based on physical processes proved to be the simplest and most effective. The method is implemented as Matlab code, which performs quality control during the generation of the numerical solution process. The most significant modeling results are presented, confirming that the three-step method imposes relatively moderate requirements on resources and numerical integration accuracy, and ensures conditional convergence of iterations. Its mathematical correctness is confirmed by the behavior of the equation residuals and direct control of the convergence of numerical solutions. Its physical correctness is confirmed by ensuring, for ergodic systems, the property of convergence to an invariant steady state independent of the initial conditions. Some discovered and possible limitations of the method are listed.

The work will be useful to specialists in the field of mathematical modeling, numerical methods, kinetic theory, combined heat and mass transfer, dealing with issues of interpretation of experimental data, graduate students and senior students specializing in the indicated areas.

The possibility to simplify the integration of Langevin equation using the variation of correlation between augmentation was researched. The analytical expression for a set of numerical schemes is presented. It’s shown that asymptotic limits for squared velocity depend on step size. The region of convergence and the convergence orders were estimated. It turned out that the incorrect correlation between increments decrease the accuracy down to the level of first-order methods for schemes based on precise solution.

The work is devoted to the study of the theoretical value of destructive influence on normal tissues of an organism by infrared radiation that goes beyond the treated pathological focus. This situation is possible if the direct laser radiation on the tissues is extremely long-acting. The solution to this problem can be the uniform distribution of heat inside the volume through indirect heating of the liquid, which contributes to minimal damage to the perifocal structures. A non-stationary thermophysical model of the process of heat propagation in biological tissues is presented, allowing to carry out studies of energy transfer from internal liquid contents of Baker's cyst heated by infrared laser radiation of a given specific power through a certain thickness of its wall to surrounding biological tissues. Calculation of the spacetime temperature distribution in the cyst wall and surrounding fat tissue is carried out by the finite-difference method. The time of effective exposure to temperature on the entire thickness of the cyst wall was estimated to be 55 ° C on its outer surface. The safety procedure ensures the exposure duration of this value is not more than 10 seconds.

As a result of the calculations carried out, it is established that there are several operating modes of a surgical laser that meet all the safety requirements with a simultaneous effective procedure. Local one-sided hyperthermia of the synovial membrane and subsequent coagulation of the entire wall thickness due to heat transfer contributes to the elimination of the cavity neoplasm of the popliteal region. With a thickness of 3 mm, the heating mode is satisfactory, under which the exposure time lasts about 200 seconds, and the specific power of the laser radiation in the internal medium of the liquid contents of the Baker cyst is approximately 1.

The paper presents a physico-mathematical model of the perturbed region formed in the lower D-layer of the ionosphere under the action of directed radio emission flux from a terrestrial stand of the megahertz frequency range, obtained as a result of comprehensive theoretical studies. The model is based on the consideration of a wide range of kinetic processes taking into account their nonequilibrium and in the two-temperature approximation for describing the transformation of the radio beam energy absorbed by electrons. The initial data on radio emission achieved by the most powerful radio-heating stands are taken in the paper. Their basic characteristics and principles of functioning, and features of the altitude distribution of the absorbed electromagnetic energy of the radio beam are briefly described. The paper presents the decisive role of the D-layer of the ionosphere in the absorption of the energy of the radio beam. On the basis of theoretical analysis, analytical expressions are obtained for the contribution of various inelastic processes to the distribution of the absorbed energy, which makes it possible to correctly describe the contribution of each of the processes considered. The work considers more than 60 components. The change of the component concentration describe about 160 reactions. All the reactions are divided into five groups according to their physical content: ionization-chemical block, excitation block of metastable electronic states, cluster block, excitation block of vibrational states and block of impurities. Blocks are interrelated and can be calculated both jointly and separately. The paper presents the behavior of the parameters of the perturbed region in daytime and nighttime conditions is significantly different at the same radio flux density: under day conditions, the maximum electron concentration and temperature are at an altitude of ~45–55 km; in night ~80 km, with the temperature of heavy particles rapidly increasing, which leads to the occurrence of a gas-dynamic flow. Therefore, a special numerical algorithm are developed to solve two basic problems: kinetic and gas dynamic. Based on the altitude and temporal behavior of concentrations and temperatures, the algorithm makes it possible to determine the ionization and emission of the ionosphere in the visible and infrared spectral range, which makes it possible to evaluate the influence of the perturbed region on radio engineering and optoelectronic devices used in space technology.