All issues

This article describes possible improvements for the simultaneous multi-stage transport model code for speeding up computations and improving the model detailing. The model consists of two blocks, where the first block is intended to calculate the correspondence matrix, and the second block computes the equilibrium distribution of traffic flows along the routes. The first block uses a matrix of transport costs that calculates a matrix of correspondences. It describes the costs (time in our case) of travel from one area to another. The second block presents how exactly the drivers (agents) are distributed along the possible paths. So, knowing the distribution of the flows along the paths, it is possible to calculate the cost matrix. Equilibrium in a two-stage traffic flow model is a fixed point of a sequence of the two described models. Thus, in this paper we report an attempt to influence the calculation speed of Dijkstra’s algorithm part of the model. It is used to calculate the shortest path from one point to another, which should be re-calculated after each iteration of the flow distribution part. We also study and implement the road pricing in the model code, as well as we replace the Sinkhorn algorithm in the calculation of the correspondence matrix part with its faster implementation. In the beginning of the paper, we provide a short theoretical overview of the transport modelling motivation; we discuss current approaches to the modelling and provide an example for demonstration of how the whole cycle of multi-stage transport modelling works.

The influence of the process of initiating a rapid local heat release near surface streamlined by supersonic gas (air) flow on the separation region that occurs during a fast turn of the flow was investigated. This surface consists of two planes that form obtuse angle when crossing, so that when flowing around the formed surface, the supersonic gas flow turns by a positive angle, which forms an oblique shock wave that interacts with the boundary layer and causes flow separation. Rapid local heating of the gas above the streamlined surface simulates long spark discharge of submicrosecond duration that crosses the flow. The gas heated in the discharge zone interacts with the separation region. The flow can be considered two-dimensional, so the numerical simulation is carried out in a two-dimensional formulation. Numerical simulation was carried out for laminar regime of flow using the sonicFoam solver of the OpenFOAM software package.

The paper describes a method for constructing a two-dimensional computational grid using hexagonal cells. A study of grid convergence has been carried out. A technique is given for setting the initial profiles of the flow parameters at the entrance to the computational domain, which makes it possible to reduce the computation time by reducing the number of computational cells. A method for non-stationary simulation of the process of rapid local heating of a gas is described, which consists in superimposing additional fields of increased pressure and temperature values calculated from the amount of energy deposited in oncoming supersonic gas flow on the corresponding fields of values obtained in the stationary case. The parameters of the energy input into the flow corresponding to the parameters of the electric discharge process, as well as the parameters of the oncoming flow, are close to the experimental values.

During analyzing numerical simulation data it was found that the initiation of rapid local heating leads to the appearance of a gas-dynamic perturbation (a quasi-cylindrical shock wave and an unsteady swirling flow), which, when interacting with the separation region, leads to a displacement of the separation point downstream. The paper considers the question of the influence of the energy spent on local heating of the gas, and of the position on the streamlined surface of the place of heating relative to the separation point, on the value of its maximum displacement.

When modeling turbulent flows in practical applications, it is often necessary to carry out a series of calculations of bodies of similar topology. For example, bodies that differ in the shape of the fairing. The use of convolutional neural networks allows to reduce the number of calculations in a series, restoring some of them based on calculations already performed. The paper proposes a method that allows to apply a convolutional neural network regardless of the method of constructing a computational mesh. To do this, the flow field is reinterpolated to a uniform mesh along with the body itself. The geometry of the body is set using the signed distance function and masking. The restoration of the flow field based on part of the calculations for similar geometries is carried out using a neural network of the UNet type with a spatial attention mechanism. The resolution of the nearwall region, which is a critical condition for turbulent modeling, is based on the equations obtained in the nearwall domain decomposition method.

A demonstration of the method is given for the case of a flow around a rounded plate by a turbulent air flow with different rounding at fixed parameters of the incoming flow with the Reynolds number $Re = 10^5$ and the Mach number $M = 0.15$. Since flows with such parameters of the incoming flow can be considered incompressible, only the velocity components are studied directly. The flow fields, velocity and friction profiles obtained by the surrogate model and numerically are compared. The analysis is carried out both on the plate and on the rounding. The simulation results confirm the prospects of the proposed approach. In particular, it was shown that even if the model is used at the maximum permissible limits of its applicability, friction can be obtained with an accuracy of up to 90%. The work also analyzes the constructed architecture of the neural network. The obtained surrogate model is compared with alternative models based on a variational autoencoder or the principal component analysis using radial basis functions. Based on this comparison, the advantages of the proposed method are demonstrated.

The paper considers an earlier proposed by the author discrete modification of the A. P. Mikhailov “power – society” model. The modification is based on a stochastic cellular automaton, it’s microdynamics being completely different from the c continuous model based on differential equations. However, the macrodynamics of the discrete modification is shown in previous works to be equivalent to one of the continuous model. This is important, but at the same time raises the question why use the discrete model. The answer lies in its flexibility, which allows adding a variety of factors, the consideration of which in a continuous model either leads to a significant increase in computational complexity or is simply impossible.

This paper considers several examples of such applicability expansion of the model, with the help of which a number of applied problems are solved.

One of the modifications of the model takes into account economic ties between regions and municipalities, which could not be studied in the basic model. Computational experiments confirmed the improvement of the socio-economic indicators of the system under the influence of the ties.

The second modification allows internal migration in the system. Using it we studied the socio-economic development of a more prosperous region that attracts migrants.

Next we studied the dynamics of the system while the number of regions and municipalities changes. The negative impact of this process on the socio-economic indicators of the system was shown and possible control was found to overcome this negative impact.

The results of this study, therefore, include both the solution of some applied problems and the demonstration of the broader applicability of the discrete model compared with the continuous one.

In single-photon emission computed tomography (SPECT), patients with bone disorders receive a radiopharmaceutical (RP) that accumulates selectively in pathological lesions. Accurate quantification of RP uptake plays a critical role in disease staging, prognosis, and the development of personalized treatment strategies. Traditionally, the accuracy of quantitative assessment is evaluated through in vitro clinical trials using the standardized physical NEMA IEC phantom, which contains six spheres simulating lesions of various sizes. However, such experiments are limited by high costs and radiation exposure to researchers. This study proposes an alternative in silico approach based on numerical simulation using a digital twin of the NEMA IEC phantom. The computational framework allows for extensive testing under varying conditions without physical constraints. Analogous to clinical protocols, we calculated the recovery coefficient (RC_max), defined as the ratio of the maximum activity in a lesion to its known true value. The simulation settings were tailored to clinical SPECT/CT protocols involving ^99mTc for patients with bone-related diseases. For the first time, we systematically analyzed the impact of lesion-to-background ratios and post-reconstruction filtering on RC_max values. Numerical experiments revealed the presence of edge artifacts in reconstructed lesion images, consistent with those observed in both real NEMA IEC phantom studies and patient scans. These artifacts introduce instability into the iterative reconstruction process and lead to errors in activity quantification. Our results demonstrate that post-filtering helps suppress edge artifacts and stabilizes the solution. However, it also significantly underestimates activity in small lesions. To address this issue, we introduce post-reconstruction correction factors derived from our simulations to improve the accuracy of quantification in lesions smaller than 20 mm in diameter.

A mathematical model describing the dynamics of HIV-1 infection in a single lymph node during the initial period of infection development is presented. Within the framework of the model, the infection of an individual is set by a nonnegative finite function describing the rate of entry of the initial viral particles into the lymph node. The equations of the model are derived with consideration of two factors: 1) the interaction of viral particles with naive CD4+ T lymphocytes in various phases of the cell cycle; 2) contact interaction between multiplying naive CD4+ T lymphocytes and infected CD4+ T lymphocytes producing viral particles. The specific feature of intercellular contact interactions is the formation of complexes consisting of pairs of these cells. The duration of the complexes’ existence is determined by the distribution functions over finite time intervals. The model is presented as a high-dimensional system of nonlinear delay differential equations, including two equations with distributed delay, and is supplemented with non-negative initial data. In the absence of HIV-1 infection, the model is reduced to four delay differential equations describing the number of naive CD4+ T-lymphocytes in different phases of the cell cycle. The global solvability of the model (the existence and uniqueness of the solution on the semi-axis) is determined, and the non-negativity of the solution components is established. To carry out computational experiments with the model, an algorithm for numerically solving the used system of differential equations are developed based on the semi-implicit Euler scheme for the case of uniform distribution of durations of the complexes existence. The results of computational experiments aimed at approximation the numerical solution of the model to describing the kinetics of HIV-1 infection spread in its acute phase, including the eclipse phase, are presented. The variable used as the observable is the variable describing the number of viral particles per milliliter of blood on days 10–12 after the onset of acute infection. The dynamics of the observable variable is numerically studied depending on the variation of the model parameters reflecting the patterns of complex formation and the formation of cells producing viral particles. The possibility of attenuation of HIV-1 infection in the lymph node at certain values of some of the model parameters is shown.

The problem of ligand binding to certain receptor proteins is of central importance in cellular signaling, but it is still unresolved at a molecular level. In order to enhance our understanding of the molecular mechanisms we used a biophysical approach to study a serotonin-gated ion channel. The molecular model of 5-HT3 receptor extracellular domain was created using computer-based homology modeling. The docking method was used for building complexes of the 5-HT3 receptor and ligands. Some different activities were investigated by the method of molecular dynamics.

Population dynamics is considered in a modified chemostat model including diffusion, chemotaxis, and nonlocal competitive losses. To account for influence of the external environment on the population of the ecosystem, a random parameter is included into the model equations. Computer simulations reveal three dynamic modes depending on system parameters: the transition from initial state to a spatially homogeneous steady state, to a spatially inhomogeneous distribution of population density, and elimination of population density.

In this paper particularities of the swirling turbulent flow of monodisperse suspension in the hydrocyclone with injector are investigated on the base of the numerical simulation. The 2D axisymmetric approximation of Reynolds Stresses Model and model of mixture is used to describe the swirling turbulent flow field of suspension and particles parameters in the hydrocyclone. Special attention is paid to the clarification of mechanisms of injection influence on the reorganization of hydrodynamic field and finally on classification mechanisms. It is shown that tangential injection method stronger effects separation curve compared to the radial one.

This work is devoted to creation of static atomic model of two surfaces in contact at electric diamond grinding: single-points diamond and material grinded of them. At the heart of the work there are issues of computer visualization of these surfaces at the molecular level, since traditional mathematical description does not possess sufficient visualization to demonstrate some aspects of the atomic tribology of metal cutting to simultaneously occurring the different, by their physical nature, processes. And in the electric diamond grinding blends effect of several processes simultaneously: mechanical, electrical and electrochemical. So the modeling technique proposed by authors is still the only way to see what is happening at the atomic level, cutting material of single-point diamond.