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The article presents the numerical modeling and study of the kinetic model of propane pyrolysis. The study of the reaction kinetics is a necessary stage in modeling the dynamics of the gas flow in the reactor.

The kinetic model of propane pyrolysis is a nonlinear system of ordinary differential equations of the first order with parameters, the role of which is played by the reaction rate constants. Math modeling of processes is based on the use of the mass conservation law. To solve an initial (forward) problem, implicit methods for solving stiff ordinary differential equation systems are used. The model contains 60 input kinetic parameters and 17 output parameters corresponding to the reaction substances, of which only 9 are observable. In the process of solving the problem of estimating parameters (inverse problem), there is a question of non-uniqueness of the set of parameters that satisfy the experimental data. Therefore, before solving the inverse problem, the possibility of determining the parameters of the model is analyzed (analysis of identifiability).

To analyze identifiability, we use the orthogonal method, which has proven itself well for analyzing models with a large number of parameters. The algorithm is based on the analysis of the sensitivity matrix by the methods of differential and linear algebra, which shows the degree of dependence of the unknown parameters of the models on the given measurements. The analysis of sensitivity and identifiability showed that the parameters of the model are stably determined from a given set of experimental data. The article presents a list of model parameters from most to least identifiable. Taking into account the analysis of the identifiability of the mathematical model, restrictions were introduced on the search for less identifiable parameters when solving the inverse problem.

The inverse problem of estimating the parameters was solved using a genetic algorithm. The article presents the found optimal values of the kinetic parameters. A comparison of the experimental and calculated dependences of the concentrations of propane, main and by-products of the reaction on temperature for different flow rates of the mixture is presented. The conclusion about the adequacy of the constructed mathematical model is made on the basis of the correspondence of the results obtained to physicochemical laws and experimental data.

Social media is a crucial indicator of the position of assets in the financial market. The paper describes the rigid solution for the classification problem to determine the influence of social media activity on financial market movements. Reputable crypto traders influencers are selected. Twitter posts packages are used as data. The methods of text, which are characterized by the numerous use of slang words and abbreviations, and preprocessing consist in lemmatization of Stanza and the use of regular expressions. A word is considered as an element of a vector of a data unit in the course of solving the problem of binary classification. The best markup parameters for processing Binance candles are searched for. Methods of feature selection, which is necessary for a precise description of text data and the subsequent process of establishing dependence, are represented by machine learning and statistical analysis. First, the feature selection is used based on the information criterion. This approach is implemented in a random forest model and is relevant for the task of feature selection for splitting nodes in a decision tree. The second one is based on the rigid compilation of a binary vector during a rough check of the presence or absence of a word in the package and counting the sum of the elements of this vector. Then a decision is made depending on the superiority of this sum over the threshold value that is predetermined previously by analyzing the frequency distribution of mentions of the word. The algorithm used to solve the problem was named benchmark and analyzed as a tool. Similar algorithms are often used in automated trading strategies. In the course of the study, observations of the influence of frequently occurring words, which are used as a basis of dimension 2 and 3 in vectorization, are described as well.

Numerical simulation of hull flow, marine propellers and other basic problems of ship hydrodynamics using Cartesian adaptive locally-refined grids is advantageous with respect to numerical setup and makes an express analysis very convenient. However, when more accurate viscous phenomena are needed, they condition some problems including a sharp increase of cell number due to high levels of main grid adaptation needed to resolve boundary layers and time step decrease in simulations with a free surface due to decrease of transit time in adapted cells. To avoid those disadvantages, additional boundary layer grids are suggested for resolution of boundary layers. The boundary layer grids are one-dimensional adaptations of main grid layers nearest to a wall, which are built along a normal direction. The boundary layer grids are additional (or chimerical), their volumes are not subtracted from main grid volumes. Governing equations of flow are integrated in both grids simultaneously, and the solutions are merged according to a special algorithm. In simulations of ship hull flow boundary layer grids are able to provide sufficient conditions for low-Reynolds turbulence models and significantly improve flow structure in continues boundary layers along smooth surfaces. When there are flow separations or other complex phenomena on a hull surface, it can be subdivided into regions, and the boundary layer grids should be applied to the regions with simple flow only. This still provides a drastic decrease of computational efforts. In simulations of marine propellers, the boundary layer grids are able to provide refuse of wall functions on blade surfaces, what leads to significantly more accurate hydrodynamic forces. Altering number and configuration of boundary grid layers, it is possible to vary a boundary layer resolution without change of a main grid. This makes the boundary layer grids a suitable tool to investigate scale effects in both problems considered.

Now days the main research activity in the field of nanotechnology is aimed at the creation, study and application of new materials and new structures. Recently, much attention has been attracted by the possibility of controlling magnetic properties using a superconducting current, as well as the influence of magnetic dynamics on the current–voltage characteristics of hybrid superconductor/ferromagnet (S/F) nanostructures. In particular, such structures include the S/F/S Josephson junction or molecular nanomagnets coupled to the Josephson junctions. Theoretical studies of the dynamics of such structures need processes of a large number of coupled nonlinear equations. Numerical modeling of hybrid superconductor/magnet nanostructures implies the calculation of both magnetic dynamics and the dynamics of the superconducting phase, which strongly increases their complexity and scale, so it is advisable to use heterogeneous computing systems.

In the course of studying the physical properties of these objects, it becomes necessary to numerically solve complex systems of nonlinear differential equations, which requires significant time and computational resources.

The currently existing micromagnetic algorithms and frameworks are based on the finite difference or finite element method and are extremely useful for modeling the dynamics of magnetization on a wide time scale. However, the functionality of existing packages does not allow to fully implement the desired computation scheme.

The aim of the research is to develop a unified environment for modeling hybrid superconductor/magnet nanostructures, providing access to solvers and developed algorithms, and based on a heterogeneous computing paradigm that allows research of superconducting elements in nanoscale structures with magnets and hybrid quantum materials. In this paper, we investigate resonant phenomena in the nanomagnet system associated with the Josephson junction. Such a system has rich resonant physics. To study the possibility of magnetic reversal depending on the model parameters, it is necessary to solve numerically the Cauchy problem for a system of nonlinear equations. For numerical simulation of hybrid superconductor/magnet nanostructures, a computing environment based on the heterogeneous HybriLIT computing platform is implemented. During the calculations, all the calculation times obtained were averaged over three launches. The results obtained here are of great practical importance and provide the necessary information for evaluating the physical parameters in superconductor/magnet hybrid nanostructures.

This work deals with numerical modeling of motion of the multibody systems consisting of rigid bodies with arbitrary masses and inertial properties. We consider both planar and spatial systems which may contain kinematic loops.

The numerical modeling is fully automatic and its computational algorithm contains three principal steps. On step one a graph of the considered mechanical system is formed from the userinput data. This graph represents the hierarchical structure of the mechanical system. On step two the differential-algebraic equations of motion of the system are derived using the so-called Joint Coordinate Method. This method allows to minimize the redundancy and lower the number of the equations of motion and thus optimize the calculations. On step three the equations of motion are integrated numerically and the resulting laws of motion are presented via user interface or files.

The aforementioned algorithm is implemented in the software complex that contains a computer algebra system, a graph library, a mechanical solver, a library of numerical methods and a user interface.

The work is devoted to the construction and analysis of difference schemes for a system of hemodynamic equations obtained by averaging the hydrodynamic equations of a viscous incompressible fluid over the vessel cross-section. Models of blood as an ideal and as a viscous Newtonian fluid are considered. Difference schemes that approximate equations with second order on the spatial variable are proposed. The computational algorithms of the constructed schemes are based on the method of splitting on physical processes. According to this approach, at one time step, the model equations are considered separately and sequentially. The practical implementation of the proposed schemes at each time step leads to a sequential solution of two linear systems with tridiagonal matrices. It is demonstrated that the schemes are $\rho$-stable under minor restrictions on the time step in the case of sufficiently smooth solutions.

For the problem with a known analytical solution, it is demonstrated that the numerical solution has a second order convergence in a wide range of spatial grid step. The proposed schemes are compared with well-known explicit schemes, such as the Lax – Wendroff, Lax – Friedrichs and McCormack schemes in computational experiments on modeling blood flow in model vascular systems. It is demonstrated that the results obtained using the proposed schemes are close to the results obtained using other computational schemes, including schemes constructed by other approaches to spatial discretization. It is demonstrated that in the case of different spatial grids, the time of computation for the proposed schemes is significantly less than in the case of explicit schemes, despite the need to solve systems of linear equations at each step. The disadvantages of the schemes are the limitation on the time step in the case of discontinuous or strongly changing solutions and the need to use extrapolation of values at the boundary points of the vessels. In this regard, problems on the adaptation of splitting schemes for problems with discontinuous solutions and in cases of special types of conditions at the vessels ends are perspective for further research.

This paper presents the development and verification of a finite element algorithm for modeling nonlinear deformation in the functional spinal unit (FSU) of the human lumbar spine. The study is motivated by the increasing prevalence of musculoskeletal disorders and the need for improved predictive methods for spinal motion segment behavior under various loading conditions and pathologies.

Current modeling approaches often employ simplified geometry and linear deformation laws (Hooke’s law) for all spinal elements, including the intervertebral disc. However, these models inadequately represent human anatomy and the physical properties of the intervertebral disc, which comprises the annulus fibrosus and nucleus pulposus exhibiting pronounced nonlinear and viscoelastic characteristics.

To address these limitations, the authors propose a mathematical model wherein vertebrae are treated as linearly elastic, heterogeneous bodies, while the intervertebral disc is modeled according to nonlinear deformation theory. An anatomically accurate 3D reconstruction of the lumbar spine was generated from computed tomography (CT) images. Volumetric tetrahedral finite elements were employed for discretization. The intervertebral disc behavior is described using thin plate bending theory based on Kirchhoff-Love assumptions.

The algorithm’s key feature is a two-step solution procedure: an initial linear elastic solution is obtained, followed by the calculation of additional nodal forces for disc elements, enabling efficient nonlinear analysis without stiffness matrix modification.

Model verification was performed using two geometric representations of the lumbar spine: a simplified version comprising parallelepipeds and cylinders, and a patient-specific realistic model derived from CT data. Numerical simulation results demonstrate that incorporating nonlinear properties of the intervertebral disc substantially alters both deformation patterns and magnitudes compared to purely elastic models, producing nonlinear segments on stress-strain curves. The discrepancy between results obtained with the proposed algorithm and those from Comsol software did not exceed 10%, confirming the model’s validity. This algorithm shows promise for investigating lumbar spine biomechanics under normal conditions, degenerative changes, and post-surgical states.

The paper provides a comparative analysis of the results obtained by various approaches to modeling the process of artillery shot. In this connection, the main problem of internal ballistics and its particular case of the Lagrange problem are formulated in averaged parameters, where, within the framework of the assumptions of the thermodynamic approach, the distribution of pressure and gas velocity over the projectile space for a channel of variable cross section is taken into account for the first time. The statement of the Lagrange problem is also presented in the framework of the gas-dynamic approach, taking into account the spatial (one-dimensional and two-dimensional axisymmetric) changes in the characteristics of the ballistic process. The control volume method is used to numerically solve the system of Euler gas-dynamic equations. Gas parameters at the boundaries of control volumes are determined using a selfsimilar solution to the Riemann problem. Based on the Godunov method, a modification of the Osher scheme is proposed, which allows to implement a numerical calculation algorithm with a second order of accuracy in coordinate and time. The solutions obtained in the framework of the thermodynamic and gas-dynamic approaches are compared for various loading parameters. The effect of projectile mass and chamber broadening on the distribution of the ballistic parameters of the shot and the dynamics of the projectile motion was studied. It is shown that the thermodynamic approach, in comparison with the gas-dynamic approach, leads to a systematic overestimation of the estimated muzzle velocity of the projectile in the entire range of parameters studied, while the difference in muzzle velocity can reach 35%. At the same time, the discrepancy between the results obtained in the framework of one-dimensional and two-dimensional gas-dynamic models of the shot in the same range of change in parameters is not more than 1.3%.

A spatial gas-dynamic formulation of the backpressure problem is given, which describes the change in pressure in front of an accelerating projectile as it moves along the barrel channel. It is shown that accounting the projectile’s front, considered in the two-dimensional axisymmetric formulation of the problem, leads to a significant difference in the pressure fields behind the front of the shock wave, compared with the solution in the framework of the onedimensional formulation of the problem, where the projectile’s front is not possible to account. It is concluded that this can significantly affect the results of modeling ballistics of a shot at high shooting velocities.

The article is devoted to studying the application of convex optimization methods to solve the Cauchy problem for the Helmholtz equation, which is ill-posed since the equation belongs to the elliptic type. The Cauchy problem is formulated as an inverse problem and is reduced to a convex optimization problem in a Hilbert space. The functional to be optimized and its gradient are calculated using the solution of boundary value problems, which, in turn, are well-posed and can be approximately solved by standard numerical methods, such as finite-difference schemes and Fourier series expansions. The convergence of the applied fast gradient method and the quality of the solution obtained in this way are experimentally investigated. The experiment shows that the accelerated gradient method — the Similar Triangle Method — converges faster than the non-accelerated method. Theorems on the computational complexity of the resulting algorithms are formulated and proved. It is found that Fourier’s series expansions are better than finite-difference schemes in terms of the speed of calculations and improve the quality of the solution obtained. An attempt was made to use restarts of the Similar Triangle Method after halving the residual of the functional. In this case, the convergence does not improve, which confirms the absence of strong convexity. The experiments show that the inaccuracy of the calculations is more adequately described by the additive concept of the noise in the first-order oracle. This factor limits the achievable quality of the solution, but the error does not accumulate. According to the results obtained, the use of accelerated gradient optimization methods can be the way to solve inverse problems effectively.

A new method for calculating the initiation and development of narrow local damage zones in specimens and structural elements subjected to various modes cyclic loadings is proposed based on multi regime two criteria model of fatigue fracture. Such narrow zones of damage can be considered as quasi-cracks of two different types, corresponding to the mechanism of normal crack opening and shear.

Numerical simulations that are aimed to reproduce the left and right branches of the full fatigue curves for specimens made from titanium and aluminum alloy and to verify the model. These branches were constructed based on tests results obtained under various modes and cyclic loading schemes. Examples of modeling the development of quasi-cracks for two types (normal opening and shear) under different cyclic loading modes for a plate with a hole as a stress concentrator are given. Under a complex stress state in the proposed multi regime model, a natural implementation of any considered mechanisms for the quasi-cracks development is possible. Quasi-cracks of different types can develop in different parts of the specimen, including simultaneously.