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Numerical study of the mechanisms of propagation of pulsating gaseous detonation in a non-uniform medium
Computer Research and Modeling, 2023, v. 15, no. 5, pp. 1263-1282In the last few years, significant progress has been observed in the field of rotating detonation engines for aircrafts. Scientific laboratories around the world conduct both fundamental researches related, for example, to the issues of effective mixing of fuel and oxidizer with the separate supply, and applied development of existing prototypes. The paper provides a brief overview of the main results of the most significant recent computational work on the study of propagation of a onedimensional pulsating gaseous detonation wave in a non-uniform medium. The general trends observed by the authors of these works are noted. In these works, it is shown that the presence of parameter perturbations in front of the wave front can lead to regularization and to resonant amplification of pulsations behind the detonation wave front. Thus, there is an appealing opportunity from a practical point of view to influence the stability of the detonation wave and control it. The aim of the present work is to create an instrument to study the gas-dynamic mechanisms of these effects.
The mathematical model is based on one-dimensional Euler equations supplemented by a one-stage model of the kinetics of chemical reactions. The defining system of equations is written in the shock-attached frame that leads to the need to add a shock-change equations. A method for integrating this equation is proposed, taking into account the change in the density of the medium in front of the wave front. So, the numerical algorithm for the simulation of detonation wave propagation in a non-uniform medium is proposed.
Using the developed algorithm, a numerical study of the propagation of stable detonation in a medium with variable density as carried out. A mode with a relatively small oscillation amplitude is investigated, in which the fluctuations of the parameters behind the detonation wave front occur with the frequency of fluctuations in the density of the medium. It is shown the relationship of the oscillation period with the passage time of the characteristics C+ and C0 over the region, which can be conditionally considered an induction zone. The phase shift between the oscillations of the velocity of the detonation wave and the density of the gas before the wave is estimated as the maximum time of passage of the characteristic C+ through the induction zone.
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Subgradient methods with B.T. Polyak-type step for quasiconvex minimization problems with inequality constraints and analogs of the sharp minimum
Computer Research and Modeling, 2024, v. 16, no. 1, pp. 105-122In this paper, we consider two variants of the concept of sharp minimum for mathematical programming problems with quasiconvex objective function and inequality constraints. It investigated the problem of describing a variant of a simple subgradient method with switching along productive and non-productive steps, for which, on a class of problems with Lipschitz functions, it would be possible to guarantee convergence with the rate of geometric progression to the set of exact solutions or its vicinity. It is important that to implement the proposed method there is no need to know the sharp minimum parameter, which is usually difficult to estimate in practice. To overcome this problem, the authors propose to use a step adjustment procedure similar to that previously proposed by B. T. Polyak. However, in this case, in comparison with the class of problems without constraints, it arises the problem of knowing the exact minimal value of the objective function. The paper describes the conditions for the inexactness of this information, which make it possible to preserve convergence with the rate of geometric progression in the vicinity of the set of minimum points of the problem. Two analogs of the concept of a sharp minimum for problems with inequality constraints are considered. In the first one, the problem of approximation to the exact solution arises only to a pre-selected level of accuracy, for this, it is considered the case when the minimal value of the objective function is unknown; instead, it is given some approximation of this value. We describe conditions on the inexact minimal value of the objective function, under which convergence to the vicinity of the desired set of points with a rate of geometric progression is still preserved. The second considered variant of the sharp minimum does not depend on the desired accuracy of the problem. For this, we propose a slightly different way of checking whether the step is productive, which allows us to guarantee the convergence of the method to the exact solution with the rate of geometric progression in the case of exact information. Convergence estimates are proved under conditions of weak convexity of the constraints and some restrictions on the choice of the initial point, and a corollary is formulated for the convex case when the need for an additional assumption on the choice of the initial point disappears. For both approaches, it has been proven that the distance from the current point to the set of solutions decreases with increasing number of iterations. This, in particular, makes it possible to limit the requirements for the properties of the used functions (Lipschitz-continuous, sharp minimum) only for a bounded set. Some computational experiments are performed, including for the truss topology design problem.
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Numerical study of Taylor – Cuetta turbulent flow
Computer Research and Modeling, 2024, v. 16, no. 2, pp. 395-408In this paper, the turbulent Taylor – Couette flow is investigated using two-dimensional modeling based on the averaged Navier – Stokes (RANS) equations and a new two-fluid approach to turbulence at Reynolds numbers in the range from 1000 to 8000. The flow due to a rotating internal and stationary external cylinders. The case of ratio of cylinder diameters 1:2 is considered. It is known that the emerging circular flow is characterized by anisotropic turbulence and mathematical modeling of such flows is a difficult task. To describe such flows, either direct modeling methods are used, which require large computational costs, or rather laborious Reynolds stress methods, or linear RANS models with special corrections for rotation, which are able to describe anisotropic turbulence. In order to compare different approaches to turbulence modeling, the paper presents the numerical results of linear RANS models SARC, SST-RC, Reynolds stress method SSG/LRR-RSM-w2012, DNS direct turbulence modeling, as well as a new two-fluid model. It is shown that the recently developed twofluid model adequately describes the considered flow. In addition, the two-fluid model is easy to implement numerically and has good convergence.
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Analysis of predictive properties of ground tremor using Huang decomposition
Computer Research and Modeling, 2024, v. 16, no. 4, pp. 939-958A method is proposed for analyzing the tremor of the earth’s surface, measured by means of space geodesy, in order to highlight the prognostic effects of seismicity activation. The method is illustrated by the example of a joint analysis of a set of synchronous time series of daily vertical displacements of the earth’s surface on the Japanese Islands for the time interval 2009–2023. The analysis is based on dividing the source data (1047 time series) into blocks (clusters of stations) and sequentially applying the principal component method. The station network is divided into clusters using the K-means method from the maximum pseudo-F-statistics criterion, and for Japan the optimal number of clusters was chosen to be 15. The Huang decomposition method into a sequence of independent empirical oscillation modes (EMD — Empirical Mode Decomposition) is applied to the time series of principal components from station blocks. To provide the stability of estimates of the waveforms of the EMD decomposition, averaging of 1000 independent additive realizations of white noise of limited amplitude was performed. Using the Cholesky decomposition of the covariance matrix of the waveforms of the first three EMD components in a sliding time window, indicators of abnormal tremor behavior were determined. By calculating the correlation function between the average indicators of anomalous behavior and the released seismic energy in the vicinity of the Japanese Islands, it was established that bursts in the measure of anomalous tremor behavior precede emissions of seismic energy. The purpose of the article is to clarify common hypotheses that movements of the earth’s crust recorded by space geodesy may contain predictive information. That displacements recorded by geodetic methods respond to the effects of earthquakes is widely known and has been demonstrated many times. But isolating geodetic effects that predict seismic events is much more challenging. In our paper, we propose one method for detecting predictive effects in space geodesy data.
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Investigation of complex formation of flavodoxin and photosystem 1 by means of direct multiparticle computer simulation
Computer Research and Modeling, 2009, v. 1, no. 1, pp. 85-91Views (last year): 4. Citations: 2 (RSCI).Kinetics of complex formation between components of the photosynthetic electron transport chain — flavodoxin and membrane complex photosystem I has been studied using computer model based on methods of multiparticle simulation and Brownian dynamics. We simulated Brownian motion of several hundreds of flavodoxin molecules, taking into account electrostatic interactions and complex shape of the molecules. Our model could describe experimental nonmonotonic dependence of the association rate constant for flavodoxin and photosystem I. This lets us conclude that electrostatic interactions are sufficient to form such kind of nonmonotonic dependence.
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Modeling of helix formation in peptides containing aspartic and glutamic residues
Computer Research and Modeling, 2010, v. 2, no. 1, pp. 83-90Views (last year): 2. Citations: 4 (RSCI).In present work we used the methods of molecular dynamics simulations and quantum chemistry to study the concept, according to which aspartic and glutamic residues play a key role in initiation of helix formation in oligopeptides. It has been shown, that the first turn of the alpha-helix can be organized from various amino acid sequences with Asp and Glu residues on the N-terminus. Thermodynamic properties of such a process were analyzed. The obtained results do not interfere with known experimental and statistical data and they substantially elaborate present views on the processes of early peptide folding stages.
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DNA conformational dynamics: approach to the physical mapping of genome
Computer Research and Modeling, 2010, v. 2, no. 4, pp. 419-428Views (last year): 2. Citations: 2 (RSCI).Recently we have developed a new method for studying DNA based on ultrasound - induced cleavage of DNA sugar-phosphate backbone. Relative cleavage rates of the phosphodiester bonds in all 16 dinucleotides have been determined. The increased amount of data sampling (of more than 20 000 nucleotides) made it also possible to obtain cleavage rates in all 256 possible tetranucleotides. These values quantitatively characterize sequence effects on conformational dynamics of DNA sugar phosphate backbone. Same type of DNA heterogeneity have been discovered and studied using its chemical cleavage induced by various chemical agents and DNAse I. The presence of essential heterogeneity in structural properties of DNA might be a key for physical mapping of the genomes, i.e. determining the structural profiles being responsible for DNA recognition by gene expression regulation machinery.
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Modeling of sedimentation and filtration layer formation by discrete element method
Computer Research and Modeling, 2012, v. 4, no. 1, pp. 105-120Views (last year): 1. Citations: 2 (RSCI).The numerical model of sedimentation and suspension filtration is proposed in this paper. The model is based on dynamic variant of discrete element method. This model represents the particles behavior on microand meso-scales: pores, arches, flocks formation. In addition, the proposed model qualitatively reproduces macro phenomenon: sedimentation of particle layer, slow shrinkage of the layer, sealing of the layer under its own weight of the particles and the external applied force.
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Numerical solution of a two-dimensional quasi-static problem of thermoplasticity: residual thermal stress calculation for a multipass welding of heterogeneous steels
Computer Research and Modeling, 2012, v. 4, no. 2, pp. 345-356Views (last year): 4. Citations: 6 (RSCI).A two-dimensional mathematical model was developed for estimating the stresses in welded joints formed during multipass welding of multilayer steels. The basis of the model is the system of equations that includes the Lagrange variational equation of incremental plasticity theory and the variational equation of heat conduction, which expresses the principle of M. Biot. Variational-difference method was used to solve the problems of heat conductivity and calculation of the transient temperature field, and then at each time step – for the quasi-static problem of thermoplasticity. The numerical scheme is based on triangular meshes, which gives a more accuracy in describing the boundaries of structural elements as compared to rectangular grids.
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On the investigation of plasma turbulence by the analysis of the spectra
Computer Research and Modeling, 2012, v. 4, no. 4, pp. 793-802Views (last year): 2. Citations: 4 (RSCI).The article describes the examples of the analysis of the experimental data spectra for identifying typical structures of processes forming plasma turbulence. The method is based on the original algorithm which is close to the one-sample bootstrap. The base model for description of the fine structure of stochastic processes is finite local-scale normal mixtures. For finding the statistical estimates (maximum likelihood estimates) well known EM algorithm is used. The efficiency of the proposed research technique is demonstrated for a number of spectra’s set obtained in different modes of low-frequency plasma turbulence.
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