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A surrogate neural network model for resolving the flow field in serial calculations of steady turbulent flows with a resolution of the nearwall region
Computer Research and Modeling, 2024, v. 16, no. 5, pp. 1195-1216When 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.
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Modeling some scenarios in the “power – society” system concerning migration and changing the number of regions
Computer Research and Modeling, 2024, v. 16, no. 6, pp. 1499-1512The 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.
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Determination of post-reconstruction correction factors for quantitative assessment of pathological bone lesions using gamma emission tomography
Computer Research and Modeling, 2025, v. 17, no. 4, pp. 677-696In 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 (RCmax), 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 RCmax 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.
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Modeling the initial period of HIV-1 infection spread in the lymph node based on delay differential equations
Computer Research and Modeling, 2025, v. 17, no. 6, pp. 1181-1203A 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.
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Automated morphological trait analysis of plants in early ontogeny for breeding applications using deep learning segmentation and graph-based analysis
Computer Research and Modeling, 2026, v. 18, no. 4, pp. 891-908We propose an approach for the reconstruction and quantitative phenotyping of plant morphological traits at early ontogenetic stages based on digital image analysis. The proposed algorithm combines deep learning and graph-based representations while incorporating biological principles of morphogenesis. This integration enables the transition from binary segmentation to the reconstruction of a topologically consistent plant structure with accurate separation of intersecting root systems in images containing multiple plants. At the first stage, binary masks of seeds, shoots, and root systems are generated using a U-Net convolutional neural network architecture. The resulting image is transformed into a graph model in which edges correspond to root and shoot segments, while vertices represent key morphological points, including branching and intersection nodes. A directed traversal algorithm initialized from the seed point, combined with watershed-based graph partitioning and a composite scoring function for primary axis selection, identifies individual plants as isolated subgraphs and accurately distinguishes the primary root, lateral roots, and shoot. The validity of the algorithm was confirmed through a multi-level validation procedure, including comparison of graph reconstruction results on segmented images and end-to-end evaluation of the complete computational pipeline on original images against existing software solutions and expert manual annotations. The proposed approach is robust to variability in root system morphology and image noise and provides high accuracy in morphological trait extraction. The results of this study can be applied in plant breeding programs.
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Molecular modeling and dynamics of serotonin 5-HT3 receptor and ligands
Computer Research and Modeling, 2011, v. 3, no. 3, pp. 329-334Citations: 1 (RSCI).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.
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Influence of diffusion and convection on the chemostat dynamics
Computer Research and Modeling, 2012, v. 4, no. 1, pp. 121-129Views (last year): 1.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.
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Investigation of water injection influence on hydrocyclone separation performance
Computer Research and Modeling, 2012, v. 4, no. 4, pp. 803-810In 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.
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Views (last year): 5. Citations: 33 (RSCI).
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.
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Substantiation of optimum planting schemes for forest plantations: a computer experiment
Computer Research and Modeling, 2016, v. 8, no. 2, pp. 333-343Views (last year): 2. Citations: 2 (RSCI).The article presents the results of computer simulations aimed to assess the influence of tree spatial locations (planting schemes) on the productivity and the dynamics of soil fertility in forest plantations. The growth of aspen (Populus tremula L.) in plantations with short rotation (30 years) was simulated in the EFIMOD system of models with the soil and climatic data matching forested lands in the Mari El Republic. The outcome reveals that higher biomass rates, increase in soil organic matter stocks, and the minimal loss of soil nitrogen can be obtained when the distance between trees in the row equals 1–4 m and 4–6 м in aisles.
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