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The Solver of Boltzmann equation on unstructured spatial grids
Computer Research and Modeling, 2019, v. 11, no. 3, pp. 427-447Views (last year): 13.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.
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Numerical modelling of seismic waves spread in models with an ice field in the arctic shelf
Computer Research and Modeling, 2020, v. 12, no. 1, pp. 73-82The Arctic region contains large hydrocarbon deposits. The presence of different ice formations, such as icebergs, ice hummocks, ice fields, complicates the process of carrying out seismic works on the territory. The last of them, ice fields, bring multiple reflections, spreading all over the surface of ice, into seismogramms. These multiple reflections are necessary to be taken into account while analyzing the seismograms, and geologists should be able to exclude them in order to obtain the reflected waves from the lower geological layers, including hydrocarbon layers.
In this work, we solve the problem of the seismic waves spread in the heterogeneous medium. The systems of equations for the linear elastic medium and for the acoustic medium describe the geological layers. We present the detailed description of the numerical solution of these systems of equations with the help of the grid-characteristic method. The final 1D transfer equations are solved with the use of the Rusanov scheme of the third order of accuracy. In the work, we examine the way of multiple waves decrease in ice by establishing the source of impulse deep into the ice field on border with water. We present the results of computer modelling of the seismic waves spread in geological layers, where the seismic source of impulse is situated on the contact border between ice and water, and also with the seismic source of impulse on the surface of ice for the 3D case. The results of the numerical modelling are presented by wave fields, graphs of the velocity x-components and seismogramms for the two problem formulations. We carry out the analysis of influence of establishing the source of impulse on the border between ice and water on the decrease of the x-components of seismic wave velocities, on seismogramms and on wave fields. As a result, the model, where the seismic source of impulse is situated on the contact border between ice and water, makes worse the final result. The model with the source of impulse on the surface of ice demonstrates a decrease of the x-components of seismic wave velocities.
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Homogenized model of two-phase capillary-nonequilibrium flows in a medium with double porosity
Computer Research and Modeling, 2023, v. 15, no. 3, pp. 567-580A mathematical model of two-phase capillary-nonequilibrium isothermal flows of incompressible phases in a double porosity medium is constructed. A double porosity medium is considered, which is a composition of two porous media with contrasting capillary properties (absolute permeability, capillary pressure). One of the constituent media has high permeability and is conductive, the second is characterized by low permeability and forms an disconnected system of matrix blocks. A feature of the model is to take into account the influence of capillary nonequilibrium on mass transfer between subsystems of double porosity, while the nonequilibrium properties of two-phase flow in the constituent media are described in a linear approximation within the Hassanizadeh model. Homogenization by the method of formal asymptotic expansions leads to a system of partial differential equations, the coefficients of which depend on internal variables determined from the solution of cell problems. Numerical solution of cell problems for a system of partial differential equations is computationally expensive. Therefore, a thermodynamically consistent kinetic equation is formulated for the internal parameter characterizing the phase distribution between the subsystems of double porosity. Dynamic relative phase permeability and capillary pressure in the processes of drainage and impregnation are constructed. It is shown that the capillary nonequilibrium of flows in the constituent subsystems has a strong influence on them. Thus, the analysis and modeling of this factor is important in transfer problems in systems with double porosity.
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Development of a methodological approach and numerical simulation of thermal-hydraulic processes in the intermediate heat exchanger of a BN reactor
Computer Research and Modeling, 2023, v. 15, no. 4, pp. 877-894The paper presents the results of three-dimensional numerical simulation of thermal-hydraulic processes in the Intermediate Heat Exchanger of the advanced Sodium-Cooled Fast-Neutron (BN) Reactor considering a developed methodological approach.
The Intermediate Heat Exchanger (IHX) is located in the reactor vessel and intended to transfer heat from the primary sodium circulating on the shell side to the secondary sodium circulating on the tube side. In case of an integral layout of the primary equipment in the BN reactor, upstream the IHX inlet windows there is a temperature stratification of the coolant due to incomplete mixing of different temperature flows at the core outlet. Inside the IHX, in the area of the input and output windows, a complex longitudinal and transverse flow of the coolant also takes place resulting in an uneven distribution of the coolant flow rate on the tube side and, as a consequence, in an uneven temperature distribution and heat transfer efficiency along the height and radius of the tube bundle.
In order to confirm the thermal-hydraulic parameters of the IHX of the advanced BN reactor applied in the design, a methodological approach for three-dimensional numerical simulation of the heat exchanger located in the reactor vessel was developed, taking into account the three-dimensional sodium flow pattern at the IHX inlet and inside the IHX, as well as justifying the recommendations for simplifying the geometry of the computational model of the IHX.
Numerical simulation of thermal-hydraulic processes in the IHX of the advanced BN reactor was carried out using the FlowVision software package with the standard $k-\varepsilon$ turbulence model and the LMS turbulent heat transfer model.
To increase the representativeness of numerical simulation of the IHX tube bundle, verification calculations of singletube and multi-tube sodium-sodium heat exchangers were performed with the geometric characteristics corresponding to the IHX design.
To determine the input boundary conditions in the IHX model, an additional three-dimensional calculation was performed taking into account the uneven flow pattern in the upper mixing chamber of the reactor.
The IHX computational model was optimized by simplifying spacer belts and selecting a sector model.
As a result of numerical simulation of the IHX, the distributions of the primary sodium velocity and primary and secondary sodium temperature were obtained. Satisfactory agreement of the calculation results with the design data on integral parameters confirmed the adopted design thermal-hydraulic characteristics of the IHX of the advanced BN reactor.
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Numerical study of high-speed mixing layers based on a two-fluid turbulence model
Computer Research and Modeling, 2024, v. 16, no. 5, pp. 1125-1142This work is devoted to the numerical study of high-speed mixing layers of compressible flows. The problem under consideration has a wide range of applications in practical tasks and, despite its apparent simplicity, is quite complex in terms of modeling. Because in the mixing layer, as a result of the instability of the tangential discontinuity of velocities, the flow passes from laminar flow to turbulent mode. Therefore, the obtained numerical results of the considered problem strongly depend on the adequacy of the used turbulence models. In the presented work, this problem is studied based on the two-fluid approach to the problem of turbulence. This approach has arisen relatively recently and is developing quite rapidly. The main advantage of the two-fluid approach is that it leads to a closed system of equations, when, as is known, the long-standing Reynolds approach leads to an open system of equations. The paper presents the essence of the two-fluid approach for modeling a turbulent compressible medium and the methodology for numerical implementation of the proposed model. To obtain a stationary solution, the relaxation method and Prandtl boundary layer theory were applied, resulting in a simplified system of equations. In the considered problem, high-speed flows are mixed. Therefore, it is also necessary to model heat transfer, and the pressure cannot be considered constant, as is done for incompressible flows. In the numerical implementation, the convective terms in the hydrodynamic equations were approximated by the upwind scheme with the second order of accuracy in explicit form, and the diffusion terms in the right-hand sides of the equations were approximated by the central difference in implicit form. The sweep method was used to implement the obtained equations. The SIMPLE method was used to correct the velocity through the pressure. The paper investigates a two-liquid turbulence model with different initial flow turbulence intensities. The obtained numerical results showed that good agreement with the known experimental data is observed at the inlet turbulence intensity of $0.1 < I < 1 \%$. Data from known experiments, as well as the results of the $k − kL + J$ and LES models, are presented to demonstrate the effectiveness of the proposed turbulence model. It is demonstrated that the two-liquid model is as accurate as known modern models and more efficient in terms of computing resources.
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Modeling the thermal field of stationary symmetric bodies in rarefied low-temperature plasma
Computer Research and Modeling, 2025, v. 17, no. 1, pp. 73-91The work investigates the process of self-consistent relaxation of the region of disturbances created in a rarefied binary low-temperature plasma by a stationary charged ball or cylinder with an absorbing surface. A feature of such problems is their self-consistent kinetic nature, in which it is impossible to separate the processes of transfer in phase space and the formation of an electromagnetic field. A mathematical model is presented that makes it possible to describe and analyze the state of the gas, electric and thermal fields in the vicinity of the body. The multidimensionality of the kinetic formulation creates certain problems in the numerical solution, therefore a curvilinear system of nonholonomic coordinates was selected for the problem, which minimizes its phase space, which contributes to increasing the efficiency of numerical methods. For such coordinates, the form of the Vlasov kinetic equation has been justified and analyzed. To solve it, a variant of the large particle method with a constant form factor was used. The calculations used a moving grid that tracks the displacement of the distribution function carrier in the phase space, which further reduced the volume of the controlled region of the phase space. Key details of the model and numerical method are revealed. The model and the method are implemented as code in the Matlab language. Using the example of solving a problem for a ball, the presence of significant disequilibrium and anisotropy in the particle velocity distribution in the disturbed zone is shown. Based on the calculation results, pictures of the evolution of the structure of the particle distribution function, profiles of the main macroscopic characteristics of the gas — concentration, current, temperature and heat flow, and characteristics of the electric field in the disturbed region are presented. The mechanism of heating of attracted particles in the disturbed zone is established and some important features of the process of formation of heat flow are shown. The results obtained are well explainable from a physical point of view, which confirms the adequacy of the model and the correct operation of the software tool. The creation and testing of a basis for the development in the future of tools for solving more complex problems of modeling the behavior of ionized gases near charged bodies is noted.
The work will be useful to specialists in the field of mathematical modeling, heat and mass transfer processes, lowtemperature plasma physics, postgraduate students and senior students specializing in the indicated areas.
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Role of hydrogen bonds in molecular relaxation during electron transport processes in biological systems
Computer Research and Modeling, 2009, v. 1, no. 3, pp. 297-320Views (last year): 6. Citations: 3 (RSCI).In molecular systems with hydrogen bonds the mechanism of proton relaxation can take place. It is caused by redistribution of protons between two steady positions in double walls potential along the line of the hydrogen bond. This redistribution occurs at change of parameters of the double walls potential of the hydrogen bond which is caused by change of an electronic state of molecular system. The relaxation process is carried out due to a tunnel transfer of protons along the line of bonds. It is shown, that relaxation process can define temperature dependence of power parameters (either of the free energy differences ΔG or of the reorganization energy λ) of charge recombination P+Q-A from RC of Rhodobacter sphaeroides.
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The invariance principle of La-Salle and mathematical models for the evolution of microbial populations
Computer Research and Modeling, 2011, v. 3, no. 2, pp. 177-190Views (last year): 8. Citations: 3 (RSCI).A mathematical model for the evolution of microbial populations during prolonged cultivation in a chemostat has been constructed. This model generalizes the sequence of the well-known mathematical models of the evolution, in which such factors of the genetic variability were taken into account as chromosomal mutations, mutations in plasmid genes, the horizontal gene transfer, the plasmid loss due to cellular division and others. Liapunov’s function for the generic model of evolution is constructed. The existence proof of bounded, positive invariant and globally attracting set in the state space of the generic mathematical model for the evolution is presented because of the application of La-Salle’s theorem. The analytic description of this set is given. Numerical methods for estimate of the number of limit sets, its location and following investigation in the mathematical models for evolution are discussed.
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Algorithms of parallel computing for radiative-conductive heat transfer problems
Computer Research and Modeling, 2012, v. 4, no. 3, pp. 543-552Views (last year): 2. Citations: 5 (RSCI).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.
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Effect of shape and sizes of a local heat source on convective heat transfer in a square cavity
Computer Research and Modeling, 2015, v. 7, no. 2, pp. 271-280Views (last year): 5. Citations: 7 (RSCI).Numerical analysis of the effects of the local heat source shape on transient natural convection in a square enclosure has been carried out. The local heat source has rectangular, triangular and trapezoidal shape. The boundary value problem formulated in the dimensionless variables such as stream function, vorticity and temperature by using the Boussinesq approximation has been solved by means of finite difference method. Distributions of streamlines and isotherms and time dependences for the average Nusselt number along the heat source surface in a wide range of governing parameters have been obtained.
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