Результаты поиска по 'complexation':
Найдено статей: 235
  1. Favorskaya A.V., Golubev V.I.
    About applying Rayleigh formula based on the Kirchhoff integral equations for the seismic exploration problems
    Computer Research and Modeling, 2017, v. 9, no. 5, pp. 761-771

    In this paper we present Rayleigh formulas obtained from Kirchhoff integral formulas, which can later be used to obtain migration images. The relevance of the studies conducted in the work is due to the widespread use of migration in the interests of seismic oil and gas seismic exploration. A special feature of the work is the use of an elastic approximation to describe the dynamic behaviour of a geological environment, in contrast to the widespread acoustic approximation. The proposed approach will significantly improve the quality of seismic exploration in complex cases, such as permafrost and shelf zones of the southern and northern seas. The complexity of applying a system of equations describing the state of a linear-elastic medium to obtain Rayleigh formulas and algorithms based on them is a significant increase in the number of computations, the mathematical and analytical complexity of the resulting algorithms in comparison with the case of an acoustic medium. Therefore in industrial seismic surveys migration algorithms for the case of elastic waves are not currently used, which creates certain difficulties, since the acoustic approximation describes only longitudinal seismic waves in geological environments. This article presents the final analytical expressions that can be used to develop software systems using the description of elastic seismic waves: longitudinal and transverse, thereby covering the entire range of seismic waves: longitudinal reflected PP-waves, longitudinal reflected SP-waves, transverse reflected PS-waves and transverse reflected SS-waves. Also, the results of comparison of numerical solutions obtained on the basis of Rayleigh formulas with numerical solutions obtained by the grid-characteristic method are presented. The value of this comparison is due to the fact that the method based on Rayleigh integrals is based on analytical expressions, while the grid-characteristic method is a method of numerical integration of solutions based on a calculated grid. In the comparison, different types of sources were considered: a point source model widely used in marine and terrestrial seismic surveying and a flat wave model, which is also sometimes used in field studies.

    Views (last year): 11.
  2. Kurzhanskiy A.A., Kurzhanski A.B.
    Intersection in a smart city
    Computer Research and Modeling, 2018, v. 10, no. 3, pp. 347-358

    Intersections present a very demanding environment for all the parties involved. Challenges arise from complex vehicle trajectories; occasional absence of lane markings to guide vehicles; split phases that prevent determining who has the right of way; invisible vehicle approaches; illegal movements; simultaneous interactions among pedestrians, bicycles and vehicles. Unsurprisingly, most demonstrations of AVs are on freeways; but the full potential of automated vehicles — personalized transit, driverless taxis, delivery vehicles — can only be realized when AVs can sense the intersection environment to efficiently and safely maneuver through intersections.

    AVs are equipped with an array of on-board sensors to interpret and suitably engage with their surroundings. Advanced algorithms utilize data streams from such sensors to support the movement of autonomous vehicles through a wide range of traffic and climatic conditions. However, there exist situations, in which additional information about the upcoming traffic environment would be beneficial to better inform the vehicles’ in-built tracking and navigation algorithms. A potential source for such information is from in-pavement sensors at an intersection that can be used to differentiate between motorized and non-motorized modes and track road user movements and interactions. This type of information, in addition to signal phasing, can be provided to the AV as it approaches an intersection, and incorporated into an improved prior for the probabilistic algorithms used to classify and track movement in the AV’s field of vision.

    This paper is concerned with the situation in which there are objects that are not visible to the AV. The driving context is that of an intersection, and the lack of visibility is due to other vehicles that obstruct the AV’s view, leading to the creation of blind zones. Such obstruction is commonplace in intersections.

    Our objective is:

    1) inform a vehicle crossing the intersection about its potential blind zones;

    2) inform the vehicle about the presence of agents (other vehicles, bicyclists or pedestrians) in those blind zones.

    Views (last year): 29.
  3. Frisman Y.Y., Kulakov M.P., Revutskaya O.L., Zhdanova O.L., Neverova G.P.
    The key approaches and review of current researches on dynamics of structured and interacting populations
    Computer Research and Modeling, 2019, v. 11, no. 1, pp. 119-151

    The review and systematization of current papers on the mathematical modeling of population dynamics allow us to conclude the key interests of authors are two or three main research lines related to the description and analysis of the dynamics of both local structured populations and systems of interacting homogeneous populations as ecological community in physical space. The paper reviews and systematizes scientific studies and results obtained within the framework of dynamics of structured and interacting populations to date. The paper describes the scientific idea progress in the direction of complicating models from the classical Malthus model to the modern models with various factors affecting population dynamics in the issues dealing with modeling the local population size dynamics. In particular, they consider the dynamic effects that arise as a result of taking into account the environmental capacity, density-dependent regulation, the Allee effect, complexity of an age and a stage structures. Particular attention is paid to the multistability of population dynamics. In addition, studies analyzing harvest effect on structured population dynamics and an appearance of the hydra effect are presented. The studies dealing with an appearance and development of spatial dissipative structures in both spatially separated populations and communities with migrations are discussed. Here, special attention is also paid to the frequency and phase multistability of population dynamics, as well as to an appearance of spatial clusters. During the systematization and review of articles on modeling the interacting population dynamics, the focus is on the “prey–predator” community. The key idea and approaches used in current mathematical biology to model a “prey–predator” system with community structure and harvesting are presented. The problems of an appearance and stability of the mosaic structure in communities distributed spatially and coupled by migration are also briefly discussed.

    Views (last year): 40. Citations: 2 (RSCI).
  4. Kliuev P.N., Ramazanov R.R.
    The mechanism of dissociation of cytosine pairs mediated by silver ions
    Computer Research and Modeling, 2019, v. 11, no. 4, pp. 685-693

    The development of structured molecular systems based on a nucleic acid framework takes into account the ability of single-stranded DNA to form a stable double-stranded structure due to stacking interactions and hydrogen bonds of complementary pairs of nucleotides. To increase the stability of the DNA double helix and to expand the temperature range in the hybridization protocols, it was proposed to use more stable metal-mediated complexes of nucleotide pairs as an alternative to Watson-Crick hydrogen bonds. One of the most frequently considered options is the use of silver ions to stabilize a pair of cytosines from opposite DNA strands. Silver ions specifically bind to N3 cytosines along the helix axis to form, as is believed, a strong N3–Ag+–N3 bond, relative to which, two rotational isomers, the cis- and trans-configurations of C–Ag+–C can be formed. In present work, a theoretical study and a comparative analysis of the free energy profile of the dissociation of two С–Ag+–C isomers were carried out using the combined method of molecular mechanics and quantum chemistry (QM/MM). As a result, it was shown that the cis-configuration is more favorable in energy than the trans- for a single pair of cytosines, and the geometry of the global minimum at free energy profile for both isomers differs from the equilibrium geometries obtained previously by quantum chemistry methods. Apparently, the silver ion stabilization model of the DNA duplex should take into account not only the direct binding of silver ions to cytosines, but also the presence of related factors, such as stacking interaction in extended DNA, interplanar hydrogen bonds, and metallophilic interaction of neighboring silver ions.

    Views (last year): 2.
  5. Muratov M.V., Petrov I.B.
    Application of mathematical fracture models to simulation of exploration seismology problems by the grid-characteristic method
    Computer Research and Modeling, 2019, v. 11, no. 6, pp. 1077-1082

    In real problems of exploration seismology we deal with a heterogeneity of the nature of elastic waves interaction with the surface of a fracture by the propagation through it. The fracture is a complex heterogeneous structure. In some locations the surfaces of fractures are placed some distance apart and are separated by filling fluid or emptiness, in some places we can observe the gluing of surfaces, when under the action of pressure forces the fracture surfaces are closely adjoined to each other. In addition, fractures can be classified by the nature of saturation: fluid or gas. Obviously, for such a large variety in the structure of fractures, one cannot use only one model that satisfies all cases.

    This article is concerned with description of developed mathematical fracture models which can be used for numerical solution of exploration seismology problems using the grid-characteristic method on unstructured triangular (in 2D-case) and tetrahedral (in 3D-case) meshes. The basis of the developed models is the concept of an infinitely thin fracture, whose aperture does not influence the wave processes in the fracture area. These fractures are represented by bound areas and contact boundaries with different conditions on contact and boundary surfaces. Such an approach significantly reduces the consumption of computer resources since there is no need to define the mesh inside the fracture. On the other side, it allows the fractures to be given discretely in the integration domain, therefore, one can observe qualitatively new effects, such as formation of diffractive waves and multiphase wave front due to multiple reflections between the surfaces of neighbor fractures, which cannot be observed by using effective fracture models actively used in computational seismology.

    The computational modeling of seismic waves propagation through layers of mesofractures was produced using developed fracture models. The results were compared with the results of physical modeling in problems in the same statements.

  6. Madera A.G.
    Cluster method of mathematical modeling of interval-stochastic thermal processes in electronic systems
    Computer Research and Modeling, 2020, v. 12, no. 5, pp. 1023-1038

    A cluster method of mathematical modeling of interval-stochastic thermal processes in complex electronic systems (ES), is developed. In the cluster method, the construction of a complex ES is represented in the form of a thermal model, which is a system of clusters, each of which contains a core that combines the heat-generating elements falling into a given cluster, the cluster shell and a medium flow through the cluster. The state of the thermal process in each cluster and every moment of time is characterized by three interval-stochastic state variables, namely, the temperatures of the core, shell, and medium flow. The elements of each cluster, namely, the core, shell, and medium flow, are in thermal interaction between themselves and elements of neighboring clusters. In contrast to existing methods, the cluster method allows you to simulate thermal processes in complex ESs, taking into account the uneven distribution of temperature in the medium flow pumped into the ES, the conjugate nature of heat exchange between the medium flow in the ES, core and shells of clusters, and the intervalstochastic nature of thermal processes in the ES, caused by statistical technological variation in the manufacture and installation of electronic elements in ES and random fluctuations in the thermal parameters of the environment. The mathematical model describing the state of thermal processes in a cluster thermal model is a system of interval-stochastic matrix-block equations with matrix and vector blocks corresponding to the clusters of the thermal model. The solution to the interval-stochastic equations are statistical measures of the state variables of thermal processes in clusters - mathematical expectations, covariances between state variables and variance. The methodology for applying the cluster method is shown on the example of a real ES.

  7. Minnikhanov R.N., Anikin I.V., Dagaeva M.V., Faizrakhmanov E.M., Bolshakov T.E.
    Modeling of the effective environment in the Republic of Tatarstan using transport data
    Computer Research and Modeling, 2021, v. 13, no. 2, pp. 395-404

    Automated urban traffic monitoring systems are widely used to solve various tasks in intelligent transport systems of different regions. They include video enforcement, video surveillance, traffic management system, etc. Effective traffic management and rapid response to traffic incidents require continuous monitoring and analysis of information from these complexes, as well as time series forecasting for further anomaly detection in traffic flow. To increase the forecasting quality, data fusion from different sources is needed. It will reduce the forecasting error, related to possible incorrect values and data gaps. We implemented the approach for short-term and middle-term forecasting of traffic flow (5, 10, 15 min) based on data fusion from video enforcement and video surveillance systems. We made forecasting using different recurrent neural network architectures: LSTM, GRU, and bidirectional LSTM with one and two layers. We investigated the forecasting quality of bidirectional LSTM with 64 and 128 neurons in hidden layers. The input window size (1, 4, 12, 24, 48) was investigated. The RMSE value was used as a forecasting error. We got minimum RMSE = 0.032405 for basic LSTM with 64 neurons in the hidden layer and window size = 24.

  8. Koganov A.V., Rakcheeva T.A., Prikhodko D.I.
    Comparative analysis of human adaptation to the growth of visual information in the tasks of recognizing formal symbols and meaningful images
    Computer Research and Modeling, 2021, v. 13, no. 3, pp. 571-586

    We describe an engineering-psychological experiment that continues the study of ways to adapt a person to the increasing complexity of logical problems by presenting a series of problems of increasing complexity, which is determined by the volume of initial data. Tasks require calculations in an associative or non-associative system of operations. By the nature of the change in the time of solving the problem, depending on the number of necessary operations, we can conclude that a purely sequential method of solving problems or connecting additional brain resources to the solution in parallel mode. In a previously published experimental work, a person in the process of solving an associative problem recognized color images with meaningful images. In the new study, a similar problem is solved for abstract monochrome geometric shapes. Analysis of the result showed that for the second case, the probability of the subject switching to a parallel method of processing visual information is significantly reduced. The research method is based on presenting a person with two types of tasks. One type of problem contains associative calculations and allows a parallel solution algorithm. Another type of problem is the control one, which contains problems in which calculations are not associative and parallel algorithms are ineffective. The task of recognizing and searching for a given object is associative. A parallel strategy significantly speeds up the solution with relatively small additional resources. As a control series of problems (to separate parallel work from the acceleration of a sequential algorithm), we use, as in the previous experiment, a non-associative comparison problem in cyclic arithmetic, presented in the visual form of the game “rock, paper, scissors”. In this problem, the parallel algorithm requires a large number of processors with a small efficiency coefficient. Therefore, the transition of a person to a parallel algorithm for solving this problem is almost impossible, and the acceleration of processing input information is possible only by increasing the speed. Comparing the dependence of the solution time on the volume of source data for two types of problems allows us to identify four types of strategies for adapting to the increasing complexity of the problem: uniform sequential, accelerated sequential, parallel computing (where possible), or undefined (for this method) strategy. The Reducing of the number of subjects, who switch to a parallel strategy when encoding input information with formal images, shows the effectiveness of codes that cause subject associations. They increase the speed of human perception and processing of information. The article contains a preliminary mathematical model that explains this phenomenon. It is based on the appearance of a second set of initial data, which occurs in a person as a result of recognizing the depicted objects.

  9. Ramazanov R.R., Sokolov P.A.
    Molecular dynamics study of complexes of a DNA aptamer with AMP and GMP
    Computer Research and Modeling, 2021, v. 13, no. 6, pp. 1191-1203

    This study is devoted to a comparative study of the conformational stability of the DNA aptamer to adenosine derivatives in a free state and in a complex with AMP and HMP molecules by use of molecular dynamics. It was shown that, in the free state, the structure of the inner loop of the DNA aptamer hairpin, due to the special packing of guanines, closes the cavity of the binding site from external ligands, and the condition for the specific selection of adenosine derivatives in comparison with guanine arises. New stabilization factors of the AMP and aptamer complex have been revealed — hydrogen bonds between the O3’ of the ribose atom of the ligands with the oxygen of the nearest phosphate group. It was also shown that guanines, which form hydrogen bonds with AMP within the binding site, are additionally stabilized by hydrogen bonds with phosphate groups opposing along the chain. The proposed scheme is in qualitative agreement with the experimental data, according to which the aptamer in solution acquires a hairpin conformation with the formation of a binding site, while the formed site exhibits high specificity when interacting only with adenosine derivatives.

  10. Polyakov S.V., Podryga V.O.
    A study of nonlinear processes at the interface between gas flow and the metal wall of a microchannel
    Computer Research and Modeling, 2022, v. 14, no. 4, pp. 781-794

    The work is devoted to the study of the influence of nonlinear processes in the boundary layer on the general nature of gas flows in microchannels of technical systems. Such a study is actually concerned with nanotechnology problems. One of the important problems in this area is the analysis of gas flows in microchannels in the case of transient and supersonic flows. The results of this analysis are important for the gas-dynamic spraying techique and for the synthesis of new nanomaterials. Due to the complexity of the implementation of full-scale experiments on micro- and nanoscale, they are most often replaced by computer simulations. The efficiency of computer simulations is achieved by both the use of new multiscale models and the combination of mesh and particle methods. In this work, we use the molecular dynamics method. It is applied to study the establishment of a gas microflow in a metal channel. Nitrogen was chosen as the gaseous medium. The metal walls of the microchannels consisted of nickel atoms. In numerical experiments, the accommodation coefficients were calculated at the boundary between the gas flow and the metal wall. The study of the microsystem in the boundary layer made it possible to form a multicomponent macroscopic model of the boundary conditions. This model was integrated into the macroscopic description of the flow based on a system of quasi-gas-dynamic equations. On the basis of such a transformed gas-dynamic model, calculations of microflow in real microsystem were carried out. The results were compared with the classical calculation of the flow, which does not take into account nonlinear processes in the boundary layer. The comparison showed the need to use the developed model of boundary conditions and its integration with the classical gas-dynamic approach.

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