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The article presented the computational algorithm developed to study chemical processes in the internal flows of a multicomponent gas under the influence of laser radiation. The mathematical model is the gas dynamics’ equations with chemical reactions at low Mach numbers. It takes into account dissipative terms that describe the dynamics of a viscous heat-conducting medium with diffusion, chemical reactions and energy supply by laser radiation. This mathematical model is characterized by the presence of several very different time and spatial scales. The computational algorithm is based on a splitting scheme by physical processes. Each time integration step is divided into the following blocks: solving the equations of chemical kinetics, solving the equation for the radiation intensity, solving the convection-diffusion equations, calculating the dynamic component of pressure and calculating the correction of the velocity vector. The solution of a stiff system of chemical kinetics equations is carried out using a specialized explicit second-order accuracy scheme or a plug-in RADAU5 module. Numerical Rusanov flows and a WENO scheme of an increased order of approximation are used to find convective terms in the equations. The code based on the obtained algorithm has been developed using MPI parallel computing technology. The developed code is used to calculate the pyrolysis of ethane with radical reactions. The superequilibrium concentrations’ formation of radicals in the reactor volume is studied in detail. Numerical simulation of the reaction gas flow in a flat tube with laser radiation supply is carried out, which is in demand for the interpretation of experimental results. It is shown that laser radiation significantly increases the conversion of ethane and yields of target products at short lengths closer to the entrance to the reaction zone. Reducing the effective length of the reaction zone allows us to offer new solutions in the design of ethane conversion reactors into valuable hydrocarbons. The developed algorithm and program will find their application in the creation of new technologies of laser thermochemistry.

The paper presents various modifications of the Frank–Wolfe algorithm in the equilibrium traffic assignment problem. The Beckman model is used as a model for experiments. In this article, first of all, attention is paid to the choice of the direction of the basic step of the Frank–Wolfe algorithm. Algorithms will be presented: Conjugate Frank–Wolfe (CFW), Bi-conjugate Frank–Wolfe (BFW), Fukushima Frank –Wolfe (FFW). Each modification corresponds to different approaches to the choice of this direction. Some of these modifications are described in previous works of the authors. In this article, following algorithms will be proposed: N-conjugate Frank–Wolfe (NFW), Weighted Fukushima Frank–Wolfe (WFFW). These algorithms are some ideological continuation of the BFW and FFW algorithms. Thus, if the first algorithm used at each iteration the last two directions of the previous iterations to select the next direction conjugate to them, then the proposed algorithm NFW is using more than $N$ previous directions. In the case of Fukushima Frank–Wolfe, the average of several previous directions is taken as the next direction. According to this algorithm, a modification WFFW is proposed, which uses a exponential smoothing from previous directions. For comparative analysis, experiments with various modifications were carried out on several data sets representing urban structures and taken from publicly available sources. The relative gap value was taken as the quality metric. The experimental results showed the advantage of algorithms using the previous directions for step selection over the classic Frank–Wolfe algorithm. In addition, an improvement in efficiency was revealed when using more than two conjugate directions. For example, on various datasets, the modification 3FW showed the best convergence. In addition, the proposed modification WFFW often overtook FFW and CFW, although performed worse than NFW.

In this paper, the structure of a shock wave in a binary gas mixture is studied on the basis of direct solution of the Boltzmann kinetic equation. The conservative projection method is used to evaluate the collision integral in the kinetic equation. The applied evaluation formulas and numerical methods are described in detail. The model of hard spheres is used as an interaction potential of molecules. Numerical simulation is performed using the developed simulation environment software, which makes it possible to study both steady and non-steady flows of gas mixtures in various flow regimes and for an arbitrary geometry of the problem. Modeling is performed on a cluster architecture. Due to the use of code parallelization technologies, a significant acceleration of computations is achieved. With a fixed accuracy controlled by the simulation parameters, the distributions of macroscopic characteristics of the mixture components through the shock wave front were obtained. Computations were conducted for various ratios of molecular masses and Mach numbers. The total accuracy of at least 1% for the local values of molecular density and temperature and 3% for the shock front width was achieved. The obtained results were compared with existing computation data. The results presented in this paper are of theoretical significance, and can serve as a test computation, since they are obtained using the exact Boltzmann equation.

The study of the development of π-periodic perturbations of a converging spherical shock wave leading to cumulation limitation is performed. The study is based on 3D hydrodynamic calculations with the Carnahan – Starling equation of state for hard sphere fluid. The method of solving the Euler equations on moving (compressing) grids allows one to trace the evolution of the converging shock wave front with high accuracy in a wide range of its radius. The compression rate of the computational grid is adapted to the motion of the shock wave front, while the motion of the boundaries of the computational domain satisfy the condition of its supersonic velocity relative to the medium. This leads to the fact that the solution is determined only by the initial data at the grid compression stage. The second order TVD scheme is used to reconstruct the vector of conservative variables at the boundaries of the computational cells in combination with the Rusanov scheme for calculating the numerical vector of flows. The choice is due to a strong tendency for the manifestation of carbuncle-type numerical instability in the calculations, which is known for other classes of flows. In the three-dimensional case of the observed force, the carbuncle effect was obtained for the first time, which is explained by the specific nature of the flow: the concavity of the shock wave front in the direction of motion, the unlimited (in the symmetric case) growth of the Mach number, and the stationarity of the front on the computational grid. The applied numerical method made it possible to study the detailed flow pattern on the scale of cumulation termination, which is impossible within the framework of the Whitham method of geometric shock wave dynamics, which was previously used to calculate converging shock waves. The study showed that the limitation of cumulation is associated with the transition from the Mach interaction of converging shock wave segments to a regular one due to the progressive increase in the ratio of the azimuthal velocity at the shock wave front to the radial velocity with a decrease in its radius. It was found that this ratio is represented as a product of a limited oscillating function of the radius and a power function of the radius with an exponent depending on the initial packing density in the hard sphere model. It is shown that increasing the packing density parameter in the hard sphere model leads to a significant increase in the pressures achieved in a shock wave with broken symmetry. For the first time in the calculation, it is shown that at the scale of cumulation termination, the flow is accompanied by the formation of high-energy vortices, which involve the substance that has undergone the greatest shock-wave compression. Influencing heat and mass transfer in the region of greatest compression, this circumstance is important for current practical applications of converging shock waves for the purpose of initiating reactions (detonation, phase transitions, controlled thermonuclear fusion).

The objective of this article is to develop a model for a realistic description of a mixed flow of two types of vehicles (cars and trucks) on multi-lane highways, taking into account differences not only in the technical characteristics of vehicles (dimensions, maximum speed), but also differences in driving strategies. The article includes a literature review, including publications of recent years, confirming the relevance of modeling heterogeneous traffic flows.

The new model takes into account that trucks have a lower maximum speed compared to cars and are slower to start. They are less maneuverable, so it is more difficult for them to change lanes. In addition, the movement of trucks can be regulated by some restrictive rules, for example, a ban on driving in left lanes.

The model is based on the cellular automata theory, which allows for a comprehensive description of the features of individual flow components. At each time step, the state of the automaton cells is updated in two stages — changing lanes and moving forward. The algorithms of both substeps for cars and trucks differ. Each vehicle is assigned a number of parameters: vehicle type, length, maximum speed, lane change strategy, in-lane movement strategy.

The model is implemented as a software package that allows simulating traffic on various sections of the road network — intersections, sections with narrowing and widening of the road, entrances and exits from the highway. In this work, a road section with a varying number of lanes and a straight multi-lane section with a virtual detector were selected for testing the model. The results are presented in the form of local speed-density and flow-density diagrams, as well as spatiotemporal speed diagrams.

To test the model, a number of problems with different percentages of passenger cars and trucks are solved, which allows demonstrating a drop in the capacity of elements of the road network with an increase in the share of trucks in the flow. The cases of uniform distribution by lanes and the restriction to the right lane for trucks are simulated. The positive effect of introducing a ban on the movement of trucks in left lanes on a multi-lane highway is illustrated.

This paper describes a method for generating a synthetic database of stenoses, consisting of 1620 entries. Each entry represents the results of a numerical experiment simulating the three-dimensional flow of a viscous incompressible fluid through a tube with a variable cross-section: pressure drop, mean flow rate, cross-sectionally averaged inlet blood flow velocity, maximum stenosis severity, stenosis length, stenosis asymmetry, tube radius, and Reynolds number. The database was validated by comparison with other models (with elastic walls) and bench experiments, showing a deviation in pressure drops of no more than 4%. The synthetic stenosis database was used to train a physics-informed neural network for the rapid estimation of pressure drop based on four key input parameters: Reynolds number, stenosis length, stenosis severity, and stenosis asymmetry coefficient. The physics-informed aspect was achieved by introducing penalties into the loss function for the absence of a positive pressure drop and for the lack of monotonicity of the pressure drop with respect to the input parameters. The physics-informed neural network demonstrated higher accuracy on hemodynamically significant stenoses when tested on a validation set and on new stenoses not represented in the database. The mean relative error for stenoses with a length of 8 healthy vessel radii was 6% for the physics-informed network and 13% for a classical neural network. The errors for short stenoses with a length of 4 radii were nearly identical: 9.5% for the physics-informed network and 10% for the classical neural network. The developed method for the functional assessment of the hemodynamic significance of stenoses can be used both as a standalone tool for clinical stenosis evaluation and as a component of network blood flow models. The approach becomes most relevant when modeling multi-vessel disease, which is predominant in clinical practice. The key advantage of the method lies in the physical correctness of the results and accuracy comparable to classical modeling, but with significantly lower computational costs.

Modeling of gas-particle suspensions with large pressure and density gradients is of practical interest in the study of volcanic phenomena, explosions at different altitudes, as well as in technogenic problems related to the operation of space technology and the formation of space debris. This work presents numerical and analytical investigations of the expansion of gas suspensions with a high ratio (up to six orders of magnitude) of pressures and densities. For numerical modeling, a high-resolution hybrid large-particle method was employed. Under the conditions considered, the accuracy of the method was confirmed by comparison with asymptotically exact solutions. The study examined the wave and structural characteristics of concentrated gas suspension expansion depending on particle volume fraction, particle size, and initial pressure ratio. It was found that the polytropic index and sound speed in the gas suspension depend not only on temperature but also on pressure and particle concentration. With increasing pressure, both the polytropic index and sound speed rise, while with increasing particle volume fraction they decrease. In the case of an arbitrary discontinuity decay, an unusual effect is observed compared with “pure” gas dynamics: the relative velocity of the mixture in the uniform flow region decreases as the initial pressure increases. This is explained by the nonlinear dependence of the sound speed in a gas-dispersed mixture on pressure. With increasing particle size (Stokes number), the mixture flow splits into gaseous and dispersed components. At the initial moment, the contact discontinuity separating the mixture from the rarefied gas region splits into two contact boundaries: gaseous and dispersed. A practical conclusion is that when the particle size changes by two orders of magnitude, the gas-dynamic parameters of the mixture in the rarefaction wave region and up to the medium interface remain close to each other. During spatial expansion, the initial cylindrical shape of the dispersed medium successively transforms into a cross-section resembling a hexagon. At the next stage of expansion, the particles redistribute to form a bilateral conical structure. Eventually, a dispersed formation close to a spherical shape emerges.

In this paper a numerical model for blood flow through a venous bifurcation with an obliterating clot is investigated. We studied propagation of perturbations of blood flow velocity and perturbations of pressure inside the vein. The model is built in acoustic (linear) approximation. Computational results reveal conditions for clot resonance oscillation, which can cause its detachment and thromboembolism.

Статья представляет собой пример компьютерного моделирования в области инженерной механики. Численным методом находятся поля скорости в гидроциклоне, которые недоступны прямому измерению. Рассматривается численное моделирование трехмерной гидродинамики на основе k-ε RNG модели турбулентности в гидроциклоне со встроенным инжектором, содержащим 5 тангенциально направленных сопла. Показано, что направление движения инжектируемой жидкости зависит от расхода жидкости через инжектор. Расчеты показывают в соответствии с экспериментами, что зависимость сплит-параметра от расхода инжектируемой жидкости имеет немонотонный характер, связанный с отношением мощности основного потока и инжектируемой жидкости.

The purpose of this paper is to generalize the macroscopic hydrodynamic vehicular traffic models by using the algorithm for constructing the adequate state equation — dependence the pressure from traffic density by taking into account the real experimental data (possibly using the parametric solutions for model equations). It is proved that this kind of state equation which closed model equations system and obtained from the experimentally observed form of the fundamental diagram — dependence the traffic intensity from its density, completely determines the all properties of the used phenomenological model.