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Numerical simulation of fluid flow in a blood pump in the FlowVision software package
Computer Research and Modeling, 2023, v. 15, no. 4, pp. 1025-1038A numerical simulation of fluid flow in a blood pump was performed using the FlowVision software package. This test problem, provided by the Center for Devices and Radiological Health of the US. Food and Drug Administration, involved considering fluid flow according to several design modes. At the same time for each case of calculation a certain value of liquid flow rate and rotor speed was set. Necessary data for calculations in the form of exact geometry, flow conditions and fluid characteristics were provided to all research participants, who used different software packages for modeling. Numerical simulations were performed in FlowVision for six calculation modes with the Newtonian fluid and standard $k-\varepsilon$ turbulence model, in addition, the fifth mode with the $k-\omega$ SST turbulence model and with the Caro rheological fluid model were performed. In the first stage of the numerical simulation, the convergence over the mesh was investigated, on the basis of which a final mesh with a number of cells of the order of 6 million was chosen. Due to the large number of cells, in order to accelerate the study, part of the calculations was performed on the Lomonosov-2 cluster. As a result of numerical simulation, we obtained and analyzed values of pressure difference between inlet and outlet of the pump, velocity between rotor blades and in the area of diffuser, and also, we carried out visualization of velocity distribution in certain cross-sections. For all design modes there was compared the pressure difference received numerically with the experimental data, and for the fifth calculation mode there was also compared with the experiment by speed distribution between rotor blades and in the area of diffuser. Data analysis has shown good correlation of calculation results in FlowVision with experimental results and numerical simulation in other software packages. The results obtained in FlowVision for solving the US FDA test suggest that FlowVision software package can be used for solving a wide range of hemodynamic problems.
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Mathematical consensus model of loyal experts based on regular Markov chains
Computer Research and Modeling, 2023, v. 15, no. 5, pp. 1381-1393The theoretical study of consensus makes it possible to analyze the various situations that social groups that make decisions in this way have to face in real life, abstracting from the specific characteristics of the groups. It is relevant for practice to study the dynamics of a social group consisting of loyal experts who, in the process of seeking consensus, yield to each other. In this case, psychological “traps” such as false consensus or groupthink are possible, which can sometimes lead to managerial decisions with dire consequences.
The article builds a mathematical consensus model for a group of loyal experts based on modeling using regular Markov chains. Analysis of the model showed that with an increase in the loyalty (decrease in authoritarianism) of group members, the time to reach consensus increases exponentially (the number of agreements increases), which is apparently due to the lack of desire among experts to take part of the responsibility for the decision being made. An increase in the size of such a group leads (ceteris paribus):
– to reduce the number of approvals to consensus in the conditions of striving for absolute loyalty of members, i. e. each additional loyal member adds less and less “strength” to the group;
– to a logarithmic increase in the number of approvals in the context of an increase in the average authoritarianism of members. It is shown that in a small group (two people), the time for reaching consensus can increase by more than 10 times compared to a group of 5 or more members), in the group there is a transfer of responsibility for making decisions.
It is proved that in the case of a group of two absolutely loyal members, consensus is unattainable.
A reasonable conclusion is made that consensus in a group of loyal experts is a special (special) case of consensus, since the dependence of the time until consensus is reached on the authoritarianism of experts and their number in the group is described by different curves than in the case of a regular group of experts.
Keywords: consensus, false consensus, group think, social groups, Markov chains, time to reach consensus. -
Discrete network dynamic system for modeling the spread of panic in groups of people
Computer Research and Modeling, 2026, v. 18, no. 2, pp. 483-499The paper addresses the problem of modeling the formation and propagation of panic states in social groups with relatively stable structures of interpersonal interactions. Panic is interpreted as a nonlinear process of emotional contagion arising from the interaction between individual psychological characteristics and collective effects within a social environment. In contrast to models focused on the spatial dynamics of moving crowds, the proposed approach concentrates on quasi-stationary interaction networks that reflect informational and emotional contacts among individuals.
The developed discrete network dynamical system integrates individual temperament parameters (sanguine, choleric, phlegmatic, melancholic), the structure of social connections, and nonlinear mechanisms of collective behavior. The individual dynamics of panic are described using an S-shaped growth function, which ensures boundedness of the emotional arousal level and captures the stages of its formation and saturation. Social influence is modeled on a graph of interpersonal interactions (an Erdos –Renyi random network) through local contacts between individuals.
Additionally, the model incorporates the effects of collective contagion and avalanche-like amplification driven by the average panic level in the group, as well as a baseline stress factor depending on group size. Numerical simulation is implemented in a discrete iterative form, allowing for the analysis of both individual and group panic trajectories. A quantitative indicator of the panic propagation rate is introduced, defined by the time required for the group to reach a state close to full panic.
A comparative analysis of heterogeneous and homogeneous groups is conducted, demonstrating that group heterogeneity significantly accelerates panic propagation due to inter-temperament interactions: highly excitable individuals act as initiators of emotional contagion, while more stable individuals partially dampen its dynamics. The evaluation of the model quality using the coefficient of determination shows a high degree of consistency within the simulation data.
The practical significance of the work lies in the potential application of the model for analyzing the resilience of social groups to panic states, assessing risks at mass events, and developing intelligent systems for monitoring collective behavior. Future research directions include extending the model to account for directed and dynamic networks, as well as its calibration based on empirical data.
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Subgradient methods for non-smooth optimization problems with some relaxation of sharp minimum
Computer Research and Modeling, 2022, v. 14, no. 2, pp. 473-495Non-smooth optimization often arises in many applied problems. The issues of developing efficient computational procedures for such problems in high-dimensional spaces are very topical. First-order methods (subgradient methods) are well applicable here, but in fairly general situations they lead to low speed guarantees for large-scale problems. One of the approaches to this type of problem can be to identify a subclass of non-smooth problems that allow relatively optimistic results on the rate of convergence. For example, one of the options for additional assumptions can be the condition of a sharp minimum, proposed in the late 1960s by B. T. Polyak. In the case of the availability of information about the minimal value of the function for Lipschitz-continuous problems with a sharp minimum, it turned out to be possible to propose a subgradient method with a Polyak step-size, which guarantees a linear rate of convergence in the argument. This approach made it possible to cover a number of important applied problems (for example, the problem of projecting onto a convex compact set). However, both the condition of the availability of the minimal value of the function and the condition of a sharp minimum itself look rather restrictive. In this regard, in this paper, we propose a generalized condition for a sharp minimum, somewhat similar to the inexact oracle proposed recently by Devolder – Glineur – Nesterov. The proposed approach makes it possible to extend the class of applicability of subgradient methods with the Polyak step-size, to the situation of inexact information about the value of the minimum, as well as the unknown Lipschitz constant of the objective function. Moreover, the use of local analogs of the global characteristics of the objective function makes it possible to apply the results of this type to wider classes of problems. We show the possibility of applying the proposed approach to strongly convex nonsmooth problems, also, we make an experimental comparison with the known optimal subgradient method for such a class of problems. Moreover, there were obtained some results connected to the applicability of the proposed technique to some types of problems with convexity relaxations: the recently proposed notion of weak $\beta$-quasi-convexity and ordinary quasiconvexity. Also in the paper, we study a generalization of the described technique to the situation with the assumption that the $\delta$-subgradient of the objective function is available instead of the usual subgradient. For one of the considered methods, conditions are found under which, in practice, it is possible to escape the projection of the considered iterative sequence onto the feasible set of the problem.
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Raising convergence order of grid-characteristic schemes for 2D linear elasticity problems using operator splitting
Computer Research and Modeling, 2022, v. 14, no. 4, pp. 899-910The grid-characteristic method is successfully used for solving hyperbolic systems of partial differential equations (for example, transport / acoustic / elastic equations). It allows to construct correctly algorithms on contact boundaries and boundaries of the integration domain, to a certain extent to take into account the physics of the problem (propagation of discontinuities along characteristic curves), and has the property of monotonicity, which is important for considered problems. In the cases of two-dimensional and three-dimensional problems the method makes use of a coordinate splitting technique, which enables us to solve the original equations by solving several one-dimensional ones consecutively. It is common to use up to 3-rd order one-dimensional schemes with simple splitting techniques which do not allow for the convergence order to be higher than two (with respect to time). Significant achievements in the operator splitting theory were done, the existence of higher-order schemes was proved. Its peculiarity is the need to perform a step in the opposite direction in time, which gives rise to difficulties, for example, for parabolic problems.
In this work coordinate splitting of the 3-rd and 4-th order were used for the two-dimensional hyperbolic problem of the linear elasticity. This made it possible to increase the final convergence order of the computational algorithm. The paper empirically estimates the convergence in L1 and L∞ norms using analytical solutions of the system with the sufficient degree of smoothness. To obtain objective results, we considered the cases of longitudinal and transverse plane waves propagating both along the diagonal of the computational cell and not along it. Numerical experiments demonstrated the improved accuracy and convergence order of constructed schemes. These improvements are achieved with the cost of three- or fourfold increase of the computational time (for the 3-rd and 4-th order respectively) and no additional memory requirements. The proposed improvement of the computational algorithm preserves the simplicity of its parallel implementation based on the spatial decomposition of the computational grid.
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Parameter identification of viscoelastic cell models based on force curves and wavelet transform
Computer Research and Modeling, 2023, v. 15, no. 6, pp. 1653-1672Mechanical properties of eukaryotic cells play an important role in life cycle conditions and in the development of pathological processes. In this paper we discuss the problem of parameters identification and verification of viscoelastic constitutive models based on force spectroscopy data of living cells. It is proposed to use one-dimensional continuous wavelet transform to calculate the relaxation function. Analytical calculations and the results of numerical simulation are given, which allow to obtain relaxation functions similar to each other on the basis of experimentally determined force curves and theoretical stress-strain relationships using wavelet differentiation algorithms. Test examples demonstrating correctness of software implementation of the proposed algorithms are analyzed. The cell models are considered, on the example of which the application of the proposed procedure of identification and verification of their parameters is demonstrated. Among them are a structural-mechanical model with parallel connected fractional elements, which is currently the most adequate in terms of compliance with atomic force microscopy data of a wide class of cells, and a new statistical-thermodynamic model, which is not inferior in descriptive capabilities to models with fractional derivatives, but has a clearer physical meaning. For the statistical-thermodynamic model, the procedure of its construction is described in detail, which includes the following. Introduction of a structural variable, the order parameter, to describe the orientation properties of the cell cytoskeleton. Setting and solving the statistical problem for the ensemble of actin filaments of a representative cell volume with respect to this variable. Establishment of the type of free energy depending on the order parameter, temperature and external load. It is also proposed to use an oriented-viscous-elastic body as a model of a representative element of the cell. Following the theory of linear thermodynamics, evolutionary equations describing the mechanical behavior of the representative volume of the cell are obtained, which satisfy the basic thermodynamic laws. The problem of optimizing the parameters of the statisticalthermodynamic model of the cell, which can be compared both with experimental data and with the results of simulations based on other mathematical models, is also posed and solved. The viscoelastic characteristics of cells are determined on the basis of comparison with literature data.
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Dynamical characteristics of DNA kinks and antikinks
Computer Research and Modeling, 2012, v. 4, no. 1, pp. 209-217Views (last year): 2. Citations: 7 (RSCI).In this article in the frameworks of the sine-Gordon mode we have calculated the dynamical characteristics of kinks and antikinks activated in the homogeneous polynucleotide chains each if them contains only one of the types of the bases: adenines, thymines, guanines or cytosines. We have obtained analytical formulas and constructed the graphs for the kink and antikink profiles and for their energy density in the 2D- and 3D-dimension. Mass of kinks and antikinks, their energy of rest and their size have been estimated. The trajectories of kink and antikink motion in the phase space have been calculated in the 2D- and 3D-dimension.
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Phase transition from α-helices to β-sheets in supercoils of fibrillar proteins
Computer Research and Modeling, 2013, v. 5, no. 4, pp. 705-725Views (last year): 6. Citations: 1 (RSCI).The transition from α-helices to β-strands under external mechanical force in fibrin molecule containing coiled-coils is studied and free energy landscape is resolved. The detailed theoretical modeling of each stage of coiled-coils fragment pulling process was performed. The plots of force (F) as a function of molecule expansion (X) for two symmetrical fibrin coiled-coils (each ∼17 nm in length) show three distinct modes of mechanical behaviour: (1) linear (elastic) mode when coiled-coils behave like entropic springs (F<100−125 pN and X<7−8 nm), (2) viscous (plastic) mode when molecule resistance force does not increase with increase in elongation length (F≈150 pN and X≈10−35 nm) and (3) nonlinear mode (F>175−200 pN and X>40−50 nm). In linear mode the coiled-coils unwind at 2π radian angle, but no structural transition occurs. Viscous mode is characterized by the phase transition from the triple α-spirals to three-stranded parallel β-sheet. The critical tension of α-helices is 0.25 nm per turn, and the characteristic energy change is equal to 4.9 kcal/mol. Changes in internal energy Δu, entropy Δs and force capacity cf per one helical turn for phase transition were also computed. The observed dynamic behavior of α-helices and phase transition from α-helices to β-sheets under tension might represent a universal mechanism of regulation of fibrillar protein structures subject to mechanical stresses due to biological forces.
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Personalization of mathematical models in cardiology: obstacles and perspectives
Computer Research and Modeling, 2022, v. 14, no. 4, pp. 911-930Most biomechanical tasks of interest to clinicians can be solved only using personalized mathematical models. Such models allow to formalize and relate key pathophysiological processes, basing on clinically available data evaluate non-measurable parameters that are important for the diagnosis of diseases, predict the result of a therapeutic or surgical intervention. The use of models in clinical practice imposes additional restrictions: clinicians require model validation on clinical cases, the speed and automation of the entire calculated technological chain, from processing input data to obtaining a result. Limitations on the simulation time, determined by the time of making a medical decision (of the order of several minutes), imply the use of reduction methods that correctly describe the processes under study within the framework of reduced models or machine learning tools.
Personalization of models requires patient-oriented parameters, personalized geometry of a computational domain and generation of a computational mesh. Model parameters are estimated by direct measurements, or methods of solving inverse problems, or methods of machine learning. The requirement of personalization imposes severe restrictions on the number of fitted parameters that can be measured under standard clinical conditions. In addition to parameters, the model operates with boundary conditions that must take into account the patient’s characteristics. Methods for setting personalized boundary conditions significantly depend on the clinical setting of the problem and clinical data. Building a personalized computational domain through segmentation of medical images and generation of the computational grid, as a rule, takes a lot of time and effort due to manual or semi-automatic operations. Development of automated methods for setting personalized boundary conditions and segmentation of medical images with the subsequent construction of a computational grid is the key to the widespread use of mathematical modeling in clinical practice.
The aim of this work is to review our solutions for personalization of mathematical models within the framework of three tasks of clinical cardiology: virtual assessment of hemodynamic significance of coronary artery stenosis, calculation of global blood flow after hemodynamic correction of complex heart defects, calculating characteristics of coaptation of reconstructed aortic valve.
Keywords: computational biomechanics, personalized model. -
Modeling the dynamics of plankton community considering the trophic characteristics of zooplankton
Computer Research and Modeling, 2024, v. 16, no. 2, pp. 525-554We propose a four-component model of a plankton community with discrete time. The model considers the competitive relationships of phytoplankton groups exhibited between each other and the trophic characteristics zooplankton displays: it considers the division of zooplankton into predatory and non-predatory components. The model explicitly represents the consumption of non-predatory zooplankton by predatory. Non-predatory zooplankton feeds on phytoplankton, which includes two competing components: toxic and non-toxic types, with the latter being suitable for zooplankton food. A model of two coupled Ricker equations, focused on describing the dynamics of a competitive community, describes the interaction of two phytoplanktons and allows implicitly taking into account the limitation of each of the competing components of biomass growth by the availability of external resources. The model describes the prey consumption by their predators using a Holling type II trophic function, considering predator saturation.
The analysis of scenarios for the transition from stationary dynamics to fluctuations in the population size of community members showed that the community loses the stability of the non-trivial equilibrium corresponding to the coexistence of the complete community both through a cascade of period-doubling bifurcations and through a Neimark – Sacker bifurcation leading to the emergence of quasi-periodic oscillations. Although quite simple, the model proposed in this work demonstrates dynamics of comunity similar to that natural systems and experiments observe: with a lag of predator oscillations relative to the prey by about a quarter of the period, long-period antiphase cycles of predator and prey, as well as hidden cycles in which the prey density remains almost constant, and the predator density fluctuates, demonstrating the influence fast evolution exhibits that masks the trophic interaction. At the same time, the variation of intra-population parameters of phytoplankton or zooplankton can lead to pronounced changes the community experiences in the dynamic mode: sharp transitions from regular to quasi-periodic dynamics and further to exact cycles with a small period or even stationary dynamics. Quasi-periodic dynamics can arise at sufficiently small phytoplankton growth rates corresponding to stable or regular community dynamics. The change of the dynamic mode in this area (the transition from stable dynamics to quasi-periodic and vice versa) can occur due to the variation of initial conditions or external influence that changes the current abundances of components and shifts the system to the basin of attraction of another dynamic mode.
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