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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.

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.

The purpose of this work is to develop a universal computer program (solver) which solves kinetic Boltzmann equation for simulations of rarefied gas flows in complexly shaped devices. The structure of the solver is described in details. Its efficiency is demonstrated on an example of calculations of a modern many tubes Knudsen pump. The kinetic Boltzmann equation is solved by finite-difference method on discrete grid in spatial and velocity spaces. The differential advection operator is approximated by finite difference method. The calculation of the collision integral is based on the conservative projection method.

In the developed computational program the unstructured spatial mesh is generated using GMSH and may include prisms, tetrahedrons, hexahedrons and pyramids. The mesh is denser in areas of flow with large gradients of gas parameters. A three-dimensional velocity grid consists of cubic cells of equal volume.

A huge amount of calculations requires effective parallelization of the algorithm which is implemented in the program with the use of Message Passing Interface (MPI) technology. An information transfer from one node to another is implemented as a kind of boundary condition. As a result, every MPI node contains the information about only its part of the grid.

The main result of the work is presented in the graph of pressure difference in 2 reservoirs connected by a multitube Knudsen pump from Knudsen number. This characteristic of the Knudsen pump obtained by numerical methods shows the quality of the pump. Distributions of pressure, temperature and gas concentration in a steady state inside the pump and the reservoirs are presented as well.

The correctness of the solver is checked using two special test solutions of more simple boundary problems — test with temperature distribution between 2 planes with different temperatures and test with conservation of total gas mass.

The correctness of the obtained data for multitube Knudsen pump is checked using denser spatial and velocity grids, using more collisions in collision integral per time step.

We present a physico-mathematical statement of coupled geometrical and gas dynamics problem of intrachamber processes simulation and calculation of main internal ballistics characteristics of solid rocket motors in axisymmetric approximation. Method and numerical algorithm of solving the problem are described in this paper. We track the propellant burning surface using the level set method. This method allows us to implicitly represent the surface on a fixed Cartesian grid as zero-level of some function. Two-dimensional gas-dynamics equations describe a flow of combustion products in a solid rocket motor. Due to inconsistency of domain boundaries and nodes of computational grid, presence of ghost points lying outside the computational domain is taken into account. For setting the values of flow parameters in ghost points, we use the inverse Lax – Wendroff procedure. We discretize spatial derivatives of level set and gas-dynamics equations with standard WENO schemes of fifth and third-order respectively and time derivatives using total variation diminishing Runge –Kutta methods. We parallelize the presented numerical algorithm using CUDA technology and further optimize it with regard to peculiarities of graphics processors architecture.

Created software package is used for calculating internal ballistics characteristics of nozzleless solid rocket motor during main firing phase. On the base of obtained numerical results, we discuss efficiency of parallelization using CUDA technology and applying considered optimizations. It has been shown that implemented parallelization technique leads to a significant acceleration in comparison with central processes. Distributions of key parameters of combustion products flow in different periods of time have been presented in this paper. We make a comparison of obtained results between quasione-dimensional approach and developed numerical technique.

The article is devoted to modeling the shallow water hydrodynamic processes using the example of the Azov Sea. The article presents a mathematical model of the hydrodynamics of a shallow water body, which allows one to calculate three-dimensional fields of the velocity vector of movement of the aquatic environment. Application of regularizers according to B.N.Chetverushkin in the continuity equation led to a change in the method of calculating the pressure field, based on solving the wave equation. A discrete finite-difference scheme has been constructed for calculating pressure in an area whose linear vertical dimensions are significantly smaller than those in horizontal coordinate directions, which is typical for the geometry of shallow water bodies. The method and algorithm for solving grid equations with a tridiagonal preconditioner are described. The proposed method is used to solve grid equations that arise when calculating pressure for the three-dimensional problem of hydrodynamics of the Azov Sea. It is shown that the proposed method converges faster than the modified alternating triangular method. A parallel implementation of the proposed method for solving grid equations is presented and theoretical and practical estimates of the acceleration of the algorithm are carried out taking into account the latency time of the computing system. The results of computational experiments for solving problems of hydrodynamics of the Sea of Azov using the hybrid MPI + OpenMP technology are presented. The developed models and algorithms were used to reconstruct the environmental disaster that occurred in the Sea of Azov in 2001 and to solve the problem of the movement of the aquatic environment in estuary areas. Numerical experiments were carried out on the K-60 hybrid computing cluster of the Keldysh Institute of Applied Mathematics of Russian Academy of Sciences.

The problems of radiative-conductive heat transfer in the scattering layer are considered. They consist in finding the temperature profile and improving the heat transfer from boundaries. For their solution the Monte Carlo method is used. The different approaches of parallelization of proposed algorithm are analyzed.

We consider an application of the Message Passing Interface (MPI) technology for parallelization of the program code which solves equation of the linear elasticity theory. The solution of this equation describes the propagation of elastic waves in demormable rigid bodies. The solution of such direct problem of seismic wave propagation is of interest in seismics and geophysics. Our implementation of solver uses grid-characteristic method to make simulations. We consider technique to reduce time of communication between MPI processes during the simulation. This is important when it is necessary to conduct modeling in complex problem formulations, and still maintain the high level of parallelism effectiveness, even when thousands of processes are used. A solution of the problem of effective communication is extremely important when several computational grids with arbirtrary geometry of contacts between them are used in the calculation. The complexity of this task increases if an independent distribution of the grid nodes between processes is allowed. In this paper, a generalized approach is developed for processing contact conditions in terms of nodes reinterpolation from a given section of one grid to a certain area of the second grid. An efficient way of parallelization and establishing effective interprocess communications is proposed. For provided example problems we provide wave fileds and seismograms for both 2D and 3D formulations. It is shown that the algorithm can be realized both on Cartesian and on structured (curvilinear) computational grids. The considered statements demonstrate the possibility of carrying out calculations taking into account the surface topographies and curvilinear geometry of curvilinear contacts between the geological layers. Application of curvilinear grids allows to obtain more accurate results than when calculating only using Cartesian grids. The resulting parallelization efficiency is almost 100% up to 4096 processes (we used 128 processes as a basis to find efficiency). With number of processes larger than 4096, an expected gradual decrease in efficiency is observed. The rate of decline is not great, so at 16384 processes the parallelization efficiency remains at 80%.

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.

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.

А new cloud center of parallel computing is to be created in the Laboratory of Information Technologies (LIT) of the Joint Institute for Nuclear Research JINR) what is expected to improve significantly the efficiency of numerical calculations and expedite the receipt of new physically meaningful results due to the more rational use of computing resources. To optimize a scheme of parallel computations at a cloud environment it is necessary to test this scheme for various combinations of equipment parameters (processor speed and numbers, throughput оf а communication network etc). As a test problem, the parallel MPI algorithm for calculations of the long Josephson junctions (LDJ) is chosen. Problems of evaluating the impact of abovementioned factors of computing mean on the computing speed of the test problem are solved by simulation with the simulation program SyMSim developed in LIT.

The simulation of the LDJ calculations in the cloud environment enable users without a series of test to find the optimal number of CPUs with a certain type of network run the calculations in a real computer environment. This can save significant computational time in countable resources. The main parameters of the model were obtained from the results of the computational experiment conducted on a special cloud-based testbed. Computational experiments showed that the pure computation time decreases in inverse proportion to the number of processors, but depends significantly on network bandwidth. Comparison of results obtained empirically with the results of simulation showed that the simulation model correctly simulates the parallel calculations performed using the MPI-technology. Besides it confirms our recommendation: for fast calculations of this type it is needed to increase both, — the number of CPUs and the network throughput at the same time. The simulation results allow also to invent an empirical analytical formula expressing the dependence of calculation time by the number of processors for a fixed system configuration. The obtained formula can be applied to other similar studies, but requires additional tests to determine the values of variables.