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Mathematical features of individual dosimetric planning of radioiodotherapy based on pharmacokinetic modeling
Computer Research and Modeling, 2024, v. 16, no. 3, pp. 773-784When determining therapeutic absorbed doses in the process of radioiodine therapy, the method of individual dosimetric planning is increasingly used in Russian medicine. However, for the successful implementation of this method, it is necessary to have appropriate software that allows modeling the pharmacokinetics of radioiodine in the patient’s body and calculate the necessary therapeutic activity of a radiopharmaceutical drug to achieve the planned therapeutic absorbed dose in the thyroid gland.
Purpose of the work: development of a software package for pharmacokinetic modeling and calculation of individual absorbed doses in radioiodine therapy based on a five-chamber model of radioiodine kinetics using two mathematical optimization methods. The work is based on the principles and methods of RFLP pharmacokinetics (chamber modeling). To find the minimum of the residual functional in identifying the values of the transport constants of the model, the Hook – Jeeves method and the simulated annealing method were used. Calculation of dosimetric characteristics and administered therapeutic activity is based on the method of calculating absorbed doses using the functions of radioiodine activity in the chambers found during modeling. To identify the parameters of the model, the results of radiometry of the thyroid gland and urine of patients with radioiodine introduced into the body were used.
A software package for modeling the kinetics of radioiodine during its oral intake has been developed. For patients with diffuse toxic goiter, the transport constants of the model were identified and individual pharmacokinetic and dosimetric characteristics (elimination half-lives, maximum thyroid activity and time to reach it, absorbed doses to critical organs and tissues, administered therapeutic activity) were calculated. The activity-time relationships for all cameras in the model are obtained and analyzed. A comparative analysis of the calculated pharmacokinetic and dosimetric characteristics calculated using two mathematical optimization methods was performed. Evaluation completed the stunning-effect and its contribution to the errors in calculating absorbed doses. From a comparative analysis of the pharmacokinetic and dosimetric characteristics calculated in the framework of two optimization methods, it follows that the use of a more complex mathematical method for simulating annealing in a software package does not lead to significant changes in the values of the characteristics compared to the simple Hook – Jeeves method. Errors in calculating absorbed doses in the framework of these mathematical optimization methods do not exceed the spread of absorbed dose values from the stunning-effect.
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A quasi-periodic two-component dynamical model for cardio-signal synthesis using time-series and the fourth-order Runge–Kutta method
Computer Research and Modeling, 2012, v. 4, no. 1, pp. 143-154Views (last year): 5. Citations: 6 (RSCI).In the article, a quasi-periodic two-component dynamical model with possibility of defining the cardio-cycle morphology, that provides the model with an ability of generating a temporal and a spectral cardiosignal characteristics, including heart rate variability is described. A technique for determining the cardio-cycle morphology to provide realistic cardio-signal form is defined. A method for defining cardio-signal dynamical system by the way of determining a three-dimensional state space and equations which describe a trajectory of point’s motion in this space is presented. A technique for solving equations of motion in the three-dimensional state space of dynamical cardio-signal system using the fourth-order Runge–Kutta method is presented. Based on this model, algorithm and software package are developed. Using software package, a cardio-signal synthesis experiment is conducted and the relationship of cardio-signal diagnostic features is analyzed.
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Dynamics of kinks activated in the genes ADRB2, NOS1 and IL-5
Computer Research and Modeling, 2012, v. 4, no. 2, pp. 391-399Views (last year): 1. Citations: 2 (RSCI).In this paper the method of concentrations is applied to the human genome. The dynamical characteristics of three different genes (ADRB2, NOS1, IL-5) with the established effect on bronchial asthma.
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The integrated model of eco-economic system on the example of the Republic of Armenia
Computer Research and Modeling, 2014, v. 6, no. 4, pp. 621-631Views (last year): 14. Citations: 7 (RSCI).This article presents an integrated dynamic model of eco-economic system of the Republic of Armenia (RA). This model is constructed using system dynamics methods, which allow to consider the major feedback related to key characteristics of eco-economic system. Such model is a two-objective optimization problem where as target functions the level of air pollution and gross profit of national economy are considered. The air pollution is minimized due to modernization of stationary and mobile sources of pollution at simultaneous maximization of gross profit of national economy. At the same time considered eco-economic system is characterized by the presence of internal constraints that must be accounted at acceptance of strategic decisions. As a result, we proposed a systematic approach that allows forming sustainable solutions for the development of the production sector of RA while minimizing the impact on the environment. With the proposed approach, in particular, we can form a plan for optimal enterprise modernization and predict long-term dynamics of harmful emissions into the atmosphere.
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Method for prediction of aerodynamic characteristics of helicopter rotors based on edge-based schemes in code NOISEtte
Computer Research and Modeling, 2020, v. 12, no. 5, pp. 1097-1122The paper gives a detailed description of the developed methods for simulating the turbulent flow around a helicopter rotor and calculating its aerodynamic characteristics. The system of Reynolds-averaged Navier – Stokes equations for a viscous compressible gas closed by the Spalart –Allmaras turbulence model is used as the basic mathematical model. The model is formulated in a non-inertial rotating coordinate system associated with a rotor. To set the boundary conditions on the surface of the rotor, wall functions are used.
The numerical solution of the resulting system of differential equations is carried out on mixed-element unstructured grids including prismatic layers near the surface of a streamlined body.The numerical method is based on the original vertex-centered finite-volume EBR schemes. A feature of these schemes is their higher accuracy which is achieved through the use of edge-based reconstruction of variables on extended quasi-onedimensional stencils, and a moderate computational cost which allows for serial computations. The methods of Roe and Lax – Friedrichs are used as approximate Riemann solvers. The Roe method is corrected in the case of low Mach flows. When dealing with discontinuities or solutions with large gradients, a quasi-one-dimensional WENO scheme or local switching to a quasi-one-dimensional TVD-type reconstruction is used. The time integration is carried out according to the implicit three-layer second-order scheme with Newton linearization of the system of difference equations. To solve the system of linear equations, the stabilized conjugate gradient method is used.
The numerical methods are implemented as a part of the in-house code NOISEtte according to the two-level MPI–OpenMP parallel model, which allows high-performance computations on meshes consisting of hundreds of millions of nodes, while involving hundreds of thousands of CPU cores of modern supercomputers.
Based on the results of numerical simulation, the aerodynamic characteristics of the helicopter rotor are calculated, namely, trust, torque and their dimensionless coefficients.
Validation of the developed technique is carried out by simulating the turbulent flow around the Caradonna – Tung two-blade rotor and the KNRTU-KAI four-blade model rotor in hover mode mode, tail rotor in duct, and rigid main rotor in oblique flow. The numerical results are compared with the available experimental data.
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Nonextensive Tsallis statistics of contract system of prime contractors and subcontractors in defense industry
Computer Research and Modeling, 2022, v. 14, no. 5, pp. 1163-1183In this work, we analyze the system of contracts made by Russian defense enterprises in the process of state defense order execution. We conclude that methods of statistical mechanics can be applied to the description of the given system. Following the original grand-canonical ensemble approach, we can create the statistical ensemble under investigation as a set of instant snapshots of indistinguishable contracts having individual values. We show that due to government regulations of contract prices the contract system can be described in terms of nonextensive Tsallis statistics. We have found that probability distributions of contract prices correspond to deformed Bose – Einstein distributions obtained using nonextensive Tsallis entropy. This conclusion is true both in the case of the whole set of contracts and in the case of the contracts made by an individual defense company as a seller.
In order to analyze how deformed Bose – Einstein distributions fit the empirical contract price distributions we compare the corresponding cumulative distribution functions. We conclude that annual distributions of individual sales which correspond to each company’s contract (order) can be used as relevant data for contract price distributions analysis. The empirical cumulative distribution functions for the individual sales ranking of Concern CSRI Elektropribor, one of the leading Russian defense companies, are analyzed for the period 2007–2021. The theoretical cumulative distribution functions, obtained using deformed Bose – Einstein distributions in the case of «rare contract gas» limit, fit well to the empirical cumulative distribution functions. The fitted values for the entropic index show that the degree of nonextensivity of the system under investigations is rather high. It is shown that the characteristic prices of distributions can be estimated by weighing the values of annual individual sales with the escort probabilities. Given that the fitted values of chemical potential are equal to zero, we suggest that «gas of contracts» can be compared to photon gas in which the number of particles is not conserved.
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Development of a computational environment for mathematical modeling of superconducting nanostructures with a magnet
Computer Research and Modeling, 2023, v. 15, no. 5, pp. 1349-1358Now 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.
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Searching for connections between biological and physico-chemical characteristics of Rybinsk reservoir ecosystem. Part 2. Determination analysis
Computer Research and Modeling, 2013, v. 5, no. 2, pp. 271-292Views (last year): 2. Citations: 3 (RSCI).Based on contents of phytoplankton pigments, fluorescence samples and some physico-chemical characteristics of the Rybinsk reservoir waters, searching for connections between biological and physicalchemical characteristics is working out. The methods of describing of connections between qualitative classes of characteristics, based on forecast of quality values of one characteristics by quality values of another one, are studied. The borders of quality classes of studied characteristics are found.
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Numerical simulation of sportsman's external flow
Computer Research and Modeling, 2017, v. 9, no. 2, pp. 331-344Views (last year): 29.Numerical simulation of moving sportsman external flow is presented. The unique method is developed for obtaining integral aerodynamic characteristics, which were the function of the flow regime (i.e. angle of attack, flow speed) and body position. Individual anthropometric characteristics and moving boundaries of sportsman (or sports equipment) during the race are taken into consideration.
Numerical simulation is realized using FlowVision CFD. The software is based on the finite volume method, high-performance numerical methods and reliable mathematical models of physical processes. A Cartesian computational grid is used by FlowVision, the grid generation is a completely automated process. Local grid adaptation is used for solving high-pressure gradient and object complex shape. Flow simulation process performed by solutions systems of equations describing movement of fluid and/or gas in the computational domain, including: mass, moment and energy conservation equations; state equations; turbulence model equations. FlowVision permits flow simulation near moving bodies by means of computational domain transformation according to the athlete shape changes in the motion. Ski jumper aerodynamic characteristics are studied during all phases: take-off performance in motion, in-run and flight. Projected investigation defined simulation method, which includes: inverted statement of sportsman external flow development (velocity of the motion is equal to air flow velocity, object is immobile); changes boundary of the body technology defining; multiple calculations with the national team member data projecting. The research results are identification of the main factors affected to jumping performance: aerodynamic forces, rotating moments etc. Developed method was tested with active sportsmen. Ski jumpers used this method during preparations for Sochi Olympic Games 2014. A comparison of the predicted characteristics and experimental data shows a good agreement. Method versatility is underlined by performing swimmer and skater flow simulation. Designed technology is applicable for sorts of natural and technical objects.
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A novel method of stylometry based on the statistic of numerals
Computer Research and Modeling, 2017, v. 9, no. 5, pp. 837-850A new method of statistical analysis of texts is suggested. The frequency distribution of the first significant digits in numerals of English-language texts is considered. We have taken into account cardinal as well as ordinal numerals expressed both in figures, and verbally. To identify the author’s use of numerals, we previously deleted from the text all idiomatic expressions and set phrases accidentally containing numerals, as well as itemizations and page numbers, etc. Benford’s law is found to hold approximately for the frequencies of various first significant digits of compound literary texts by different authors; a marked predominance of the digit 1 is observed. In coherent authorial texts, characteristic deviations from Benford’s law arise which are statistically stable significant author peculiarities that allow, under certain conditions, to consider the problem of authorship and distinguish between texts by different authors. The text should be large enough (at least about 200 kB). At the end of $\{1, 2, \ldots, 9\}$ digits row, the frequency distribution is subject to strong fluctuations and thus unrepresentative for our purpose. The aim of the theoretical explanation of the observed empirical regularity is not intended, which, however, does not preclude the applicability of the proposed methodology for text attribution. The approach suggested and the conclusions are backed by the examples of the computer analysis of works by W.M. Thackeray, M. Twain, R. L. Stevenson, J. Joyce, sisters Bront¨e, and J.Austen. On the basis of technique suggested, we examined the authorship of a text earlier ascribed to L. F. Baum (the result agrees with that obtained by different means). We have shown that the authorship of Harper Lee’s “To Kill a Mockingbird” pertains to her, whereas the primary draft, “Go Set a Watchman”, seems to have been written in collaboration with Truman Capote. All results are confirmed on the basis of parametric Pearson’s chi-squared test as well as non-parametric Mann –Whitney U test and Kruskal –Wallis test.
Keywords: text attribution, first significant digit of numerals.Views (last year): 10.
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