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We developed an algorithm for fast simulation of VLSI CMOS (Very Large Scale Integration with Complementary Metal-Oxide-Semiconductors) with an accuracy control. The algorithm provides an ability of parallel numerical experiments in multiprocessor computational environment. There is computation speed up by means of block-matrix and structural (DCCC) decompositions application. A feature of the approach is both in a choice of moments and ways of parameters synchronization and application of multi-rate integration methods. Due to this fact we have ability to estimate and control error of given characteristics.

In this paper we consider one of the core subsystems of the retail payment system named “Developer”. The Queuing System for modeling this subsystem was developed and information about it is provided. The task for the assignment problem was set up and solved (the modification of the Hungarian algorithm was used). Information about Agent Based Model for subsystem “Developer” and the results of the simulation experiments are given.

The paper provides a solution of the two-parameter task of joint signal and noise estimation at data analysis within the conditions of the Rice distribution by the techniques of mathematical statistics: the maximum likelihood method and the variants of the method of moments. The considered variants of the method of moments include the following techniques: the joint signal and noise estimation on the basis of measuring the 2-nd and the 4-th moments (MM24) and on the basis of measuring the 1-st and the 2-nd moments (MM12). For each of the elaborated methods the explicit equations’ systems have been obtained for required parameters of the signal and noise. An important mathematical result of the investigation consists in the fact that the solution of the system of two nonlinear equations with two variables — the sought for signal and noise parameters — has been reduced to the solution of just one equation with one unknown quantity what is important from the view point of both the theoretical investigation of the proposed technique and its practical application, providing the possibility of essential decreasing the calculating resources required for the technique’s realization. The implemented theoretical analysis has resulted in an important practical conclusion: solving the two-parameter task does not lead to the increase of required numerical resources if compared with the one-parameter approximation. The task is meaningful for the purposes of the rician data processing, in particular — the image processing in the systems of magnetic-resonance visualization. The theoretical conclusions have been confirmed by the results of the numerical experiment.

Equations of motion in Newtonian and Hamiltonian forms are used for classical molecular dynamics simulation of particle system time evolution. When Newton equations of motion are used for finding of particle coordinates and velocities in $N$-particle system it takes to solve $3N$ ordinary differential equations of second order at every time step. Traditionally numerical schemes of Verlet method are used for solving Newtonian equations of motion of molecular dynamics. A step of integration is necessary to decrease for Verlet numerical schemes steadiness conservation on sufficiently large time intervals. It leads to a significant increase of the volume of calculations. Numerical schemes of Verlet method with Hamiltonian conservation control (the energy of the system) at every time moment are used in the most software packages of molecular dynamics for numerical integration of equations of motion. It can be used two complement each other approaches to decrease of computational time in molecular dynamics calculations. The first of these approaches is based on enhancement and software optimization of existing software packages of molecular dynamics by using of vectorization, parallelization and special processor construction. The second one is based on the elaboration of efficient methods for numerical integration for equations of motion. A procedure for constructing of explicit, implicit and symmetric symplectic numerical schemes with given approximation accuracy in relation to integration step for solving of molecular dynamic equations of motion in Hamiltonian form is proposed in this work. The approach for construction of proposed in this work procedure is based on the following points: Hamiltonian formulation of equations of motion; usage of Taylor expansion of exact solution; usage of generating functions, for geometrical properties of exact solution conservation, in derivation of numerical schemes. Numerical experiments show that obtained in this work symmetric symplectic third-order accuracy scheme conserves basic properties of the exact solution in the approximate solution. It is more stable for approximation step and conserves Hamiltonian of the system with more accuracy at a large integration interval then second order Verlet numerical schemes.

Verification results of supersonic turbulent jets computational characteristics are presented. Numerical simulation of axisymmetric nozzle operating is realized using FlowVision CFD. Open test cases for CFD are used. The test cases include Seiner tests with exit Mach number of 2.0 both fully-expanded and under-expanded $(P/P_0 = 1.47)$. Fully-expanded nozzle investigated with wide range of flow temperature (300…3000 K). The considered studies include simulation downstream from the nozzle exit diameter. Next numerical investigation is presented at an exit Mach number of 2.02 and a free-stream Mach number of 2.2. Geometric model of convergent- divergent nozzle rebuilt from original Putnam experiment. This study is set with nozzle pressure ratio of 8.12 and total temperature of 317 K.

The paper provides a comparison of obtained FlowVision results with experimental data and another current CFD studies. A comparison of the calculated characteristics and experimental data indicates a good agreement. The best coincidence with Seiner's experimental velocity distribution (about 7 % at far field for the first case) obtained using two-equation $k–\varepsilon$ standard turbulence model with Wilcox compressibility correction. Predicted Mach number distribution at $Y/D = 1$ for Putnam nozzle presents accuracy of 3 %.

General guidelines for simulation of supersonic turbulent jets in the FlowVision software are formulated in the given paper. Grid convergence determined the optimal cell rate. In order to calculate the design regime, it is recommended to build a grid, containing not less than 40 cells from the axis of symmetry to the nozzle wall. In order to calculate an off-design regime, it is necessary to resolve the shock waves. For this purpose, not less than 80 cells is required in the radial direction. Investigation of the influence of turbulence model on the flow characteristics has shown that the version of the SST $k–\omega$ turbulence model implemented in the FlowVision software essentially underpredicts the axial velocity. The standard $k–\varepsilon$ model without compressibility correction also underpredicts the axial velocity. These calculations agree well with calculations in other CFD codes using the standard $k–\varepsilon$ model. The in-home $k–\varepsilon$ turbulence model KEFV with compressibility correction a little bit overpredicts the axial velocity. Since, the best results are obtained using the standard $k–\varepsilon$ model combined with the Wilcox compressibility correction, this model is recommended for the problems discussed.

The developed methodology can be regarded as a basis for numerical investigations of more complex nozzle flows.

Comparative analysis of two numerical methods for simulation of unsteady natural convection and thermal surface radiation within a differentially heated cubical cavity has been carried out. The considered domain of interest had two isothermal opposite vertical faces, while other walls are adiabatic. The walls surfaces were diffuse and gray, namely, their directional spectral emissivity and absorptance do not depend on direction or wavelength but can depend on surface temperature. For the reflected radiation we had two approaches such as: 1) the reflected radiation is diffuse, namely, an intensity of the reflected radiation in any point of the surface is uniform for all directions; 2) the reflected radiation is uniform for each surface of the considered enclosure. Mathematical models formulated both in primitive variables “velocity–pressure” and in transformed variables “vector potential functions – vorticity vector” have been performed numerically using finite volume method and finite difference methods, respectively. It should be noted that radiative heat transfer has been analyzed using the net-radiation method in Poljak approach.

Using primitive variables and finite volume method for the considered boundary-value problem we applied power-law for an approximation of convective terms and central differences for an approximation of diffusive terms. The difference motion and energy equations have been solved using iterative method of alternating directions. Definition of the pressure field associated with velocity field has been performed using SIMPLE procedure.

Using transformed variables and finite difference method for the considered boundary-value problem we applied monotonic Samarsky scheme for convective terms and central differences for diffusive terms. Parabolic equations have been solved using locally one-dimensional Samarsky scheme. Discretization of elliptic equations for vector potential functions has been conducted using symmetric approximation of the second-order derivatives. Obtained difference equation has been solved by successive over-relaxation method. Optimal value of the relaxation parameter has been found on the basis of computational experiments.

As a result we have found the similar distributions of velocity and temperature in the case of these two approaches for different values of Rayleigh number, that illustrates an operability of the used techniques. The efficiency of transformed variables with finite difference method for unsteady problems has been shown.

In the article we have obtained some estimates of the rate of convergence for the recently proposed by Yu. E.Nesterov method of minimization of a convex Lipschitz-continuous function of two variables on a square with a fixed side. The idea of the method is to divide the square into smaller parts and gradually remove them so that in the remaining sufficiently small part. The method consists in solving auxiliary problems of one-dimensional minimization along the separating segments and does not imply the calculation of the exact value of the gradient of the objective functional. The main result of the paper is proved in the class of smooth convex functions having a Lipschitz-continuous gradient. Moreover, it is noted that the property of Lipschitzcontinuity for gradient is sufficient to require not on the whole square, but only on some segments. It is shown that the method can work in the presence of errors in solving auxiliary one-dimensional problems, as well as in calculating the direction of gradients. Also we describe the situation when it is possible to neglect or reduce the time spent on solving auxiliary one-dimensional problems. For some examples, experiments have demonstrated that the method can work effectively on some classes of non-smooth functions. In this case, an example of a simple non-smooth function is constructed, for which, if the subgradient is chosen incorrectly, even if the auxiliary one-dimensional problem is exactly solved, the convergence property of the method may not hold. Experiments have shown that the method under consideration can achieve the desired accuracy of solving the problem in less time than the other methods (gradient descent and ellipsoid method) considered. Partially, it is noted that with an increase in the accuracy of the desired solution, the operating time for the Yu. E. Nesterov’s method can grow slower than the time of the ellipsoid method.

The features of the component circuits method (MCC) in modeling chemical-technological systems (CTS) are considered, taking into account its practical significance. The software and algorithmic implementation of which is currently a set of computer modeling programs MARS (Modeling and Automatic Research of Systems). MARS allows the development and analysis of mathematical models with specified experimental parameters. Research and calculations were carried out using a specialized software and hardware complex MARS, which allows the development of mathematical models with specified experimental parameters. In the course of this work, the model of a perfect-mixing reactor was developed in the MARS modeling environment taking into account the physicochemical features of the uranium extraction process in the presence of nitric acid and tributyl phosphate. As results, the curves of changes of the concentration of uranium extracted into the organic phase are presented. The possibility of using MCC for the description and analysis of CTS, including extraction processes, has been confirmed. The use of the obtained results is planned to be used in the development of a virtual laboratory, which will include the main apparatus of the chemical industry, as well as complex technical controlled systems (CTСS) based on them and will allow one to acquire a wide range of professional competencies in working with “digital twins” of real control objects, including gaining initial experience working with the main equipment of the nuclear industry. In addition to the direct applied benefits, it is also assumed that the successful implementation of the domestic complex of computer modeling programs and technologies based on the obtained results will make it possible to find solutions to the problems of organizing national technological sovereignty and import substitution.

The need to model high-speed flows of compressible media with shock waves in the presence of dense curtains or layers of particles arises when studying various processes, such as the dispersion of particles from a layer behind a shock wave or propagation of combustion waves in heterogeneous explosives. These directions have been successfully developed over the past few decades, but the corresponding mathematical models and computational algorithms continue to be actively improved. The mechanisms of wave processes in two-phase media differ in different models, so it is important to continue researching and improving these models.

The paper is devoted to the numerical study of the propagation of disturbances inside a sand bed under the action of successive impacts of a normally incident air shock wave. The setting of the problem follows the experiments of A. T.Akhmetov with co-authors. The aim of this study is to investigate the possible reasons for signal amplification on the pressure sensor within the bed, as observed under some conditions in experiments. The mathematical model is based on a one-dimensional system of Baer –Nunziato equations for describing dense flows of two-phase media taking into account intergranular stresses in the particle phase. The computational algorithm is based on the Godunov method for the Baer – Nunziato equations.

The paper describes the dynamics of waves inside and outside a particle bed after applying first and second pressure pulses to it. The main components of the flow within the bed are filtration waves in the gas phase and compaction waves in the solid phase. The compaction wave, generated by the first pulse and reflected from the walls of the shock tube, interacts with the filtration wave caused by the second pulse. As a result, the signal measured by the pressure sensor inside the bed has a sharp peak, explaining the new effect observed in experiments.

The article presents updated technologies for solving two classes of linear resource allocation problems with dynamically changing characteristics of situational management systems and awareness of experts (and/or trained robots). The search for solutions is carried out in an interactive mode of computational experiment using updatable knowledge systems about problems considered as constructive objects (in accordance with the methodology of formalization of knowledge about programmable problems created in the theory of S-symbols). The technologies are focused on implementation in the form of Internet services. The first class includes resource allocation problems solved by the method of targeted solution movement. The second is the problems of allocating a single resource in hierarchical systems, taking into account the priorities of expense items, which can be solved (depending on the specified mandatory and orienting requirements for the solution) either by the interval method of allocation (with input data and result represented by numerical segments), or by the targeted solution movement method. The problem statements are determined by requirements for solutions and specifications of their applicability, which are set by an expert based on the results of the portraits of the target and achieved situations analysis. Unlike well-known methods for solving resource allocation problems as linear programming problems, the method of targeted solution movement is insensitive to small data changes and allows to find feasible solutions when the constraint system is incompatible. In single-resource allocation technologies, the segmented representation of data and results allows a more adequate (compared to a point representation) reflection of the state of system resource space and increases the practical applicability of solutions. The technologies discussed in the article are programmatically implemented and used to solve the problems of resource basement for decisions, budget design taking into account the priorities of expense items, etc. The technology of allocating a single resource is implemented in the form of an existing online cost planning service. The methodological consistency of the technologies is confirmed by the results of comparison with known technologies for solving the problems under consideration.