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Modeling of rheological characteristics of aqueous suspensions based on nanoscale silicon dioxide particles
Computer Research and Modeling, 2024, v. 16, no. 5, pp. 1217-1252The rheological behavior of aqueous suspensions based on nanoscale silicon dioxide particles strongly depends on the dynamic viscosity, which affects directly the use of nanofluids. The purpose of this work is to develop and validate models for predicting dynamic viscosity from independent input parameters: silicon dioxide concentration SiO2, pH acidity, and shear rate $\gamma$. The influence of the suspension composition on its dynamic viscosity is analyzed. Groups of suspensions with statistically homogeneous composition have been identified, within which the interchangeability of compositions is possible. It is shown that at low shear rates, the rheological properties of suspensions differ significantly from those obtained at higher speeds. Significant positive correlations of the dynamic viscosity of the suspension with SiO2 concentration and pH acidity were established, and negative correlations with the shear rate $\gamma$. Regression models with regularization of the dependence of the dynamic viscosity $\eta$ on the concentrations of SiO2, NaOH, H3PO4, surfactant (surfactant), EDA (ethylenediamine), shear rate γ were constructed. For more accurate prediction of dynamic viscosity, the models using algorithms of neural network technologies and machine learning (MLP multilayer perceptron, RBF radial basis function network, SVM support vector method, RF random forest method) were trained. The effectiveness of the constructed models was evaluated using various statistical metrics, including the average absolute approximation error (MAE), the average quadratic error (MSE), the coefficient of determination $R^2$, and the average percentage of absolute relative deviation (AARD%). The RF model proved to be the best model in the training and test samples. The contribution of each component to the constructed model is determined. It is shown that the concentration of SiO2 has the greatest influence on the dynamic viscosity, followed by pH acidity and shear rate γ. The accuracy of the proposed models is compared to the accuracy of models previously published. The results confirm that the developed models can be considered as a practical tool for studying the behavior of nanofluids, which use aqueous suspensions based on nanoscale particles of silicon dioxide.
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The dynamics of polynucleotide chain consisting of two different homogeneous sequences, divided by interface
Computer Research and Modeling, 2013, v. 5, no. 2, pp. 241-253Views (last year): 1. Citations: 3 (RSCI).To research dynamics of inhomogeneous polynucleotide DNA chain the Y-model with no dissipation term was used. Basing on this model using numerical methods calculations were carried out, which have shown the behaviour of nonlinear conformational excitation (kink), spreading along the inhomogeneous polynucleotide chain, consisting of two different homogeneous nucleotide sequences. As numerical analysis shows there are three ways of behaviour of the nonlinear kink excitation spreading along the DNA chain. After reaching the interface between two homogeneous sequences consisting of different types of bases kink can a) reflect, b) pass the interface with acceleration (increase its velocity), c) pass the interface with deceleration (decrease its velocity).
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The task of trajectory calculation with the homogenous distribution of results
Computer Research and Modeling, 2014, v. 6, no. 5, pp. 803-828Citations: 3 (RSCI).We consider a new set of tests which assigns to detection of human capability for parallel calculation. The new tests support the homogenous statistical distribution of results in distinction to the tests discussed in our previous works. This feature simplifies the analysis of test results and decreases the estimate of statistical error. The new experimental data is close to results obtained in previous experiments.
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Impact of the non-market advantage on equilibrium in A Hotelling model
Computer Research and Modeling, 2016, v. 8, no. 3, pp. 573-581The principle of minimal differentiation, based on the Hotelling model, is well known in the economy. It is applicable to horizontal differentiated goods of almost any nature. The Hotelling approach to modeling competition of oligopolies corresponds to a modern description of monopolistic competition with increasing returns to scale and imperfect competition. We develop a modification of the Hotelling model that endows a firm with a non-market advantage, which is introduced alike the valence advantage known in problems of political economy. The nonmarket (valence) advantage can be interpreted as advertisement (brand awareness of firms). Problem statement. Consider two firms competing with prices and location. Homogeneous consumers vary with its location on a segment. They minimize their costs, which additively includes the price of the product and the distance from them to the product. The utility function is linear with respect to the price and quadratic with respect to the distance. It is also expected that one of the firms (for certainty, firm № 1) has a market advantage d. The consumers are assumed to take into account the sum of the distance to the product and the market advantage of firm 1. Thus, the strategy of the firms and the consumers depend on two parameters: the unit t of the transport costs and the non-market advantage d. I explore characteristics of the equilibrium in the model as a function of the non-market advantage for different fixed t. The aim of the research is to assess the impact of the non-market advantage on the equlibrium. We prove that the Nash equilibrium exists and it is unique under additive consumers' preferences de-pending on the square of the distance between consumers and firms. This equilibrium is ‘richer’ than that in the original Hotelling model. In particular, non-market advantage can be excessive and inefficient to use.
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The concentration of powerful acoustic beams in a viscoelastic medium with non-uniform distribution of the air cavities
Computer Research and Modeling, 2017, v. 9, no. 3, pp. 517-533Views (last year): 6.It is known that the sound speed in medium that contain highly compressible inclusions, e.g. air pores in an elastic medium or gas bubbles in the liquid may be significantly reduced compared to a homogeneous medium. Effective nonlinear parameter of medium, describing the manifestation of nonlinear effects, increases hundreds and thousands of times because of the large differences in the compressibility of the inclusions and the medium. Spatial change in the concentration of such inclusions leads to the variable local sound speed, which in turn calls the spatial-temporal redistribution of acoustic energy in the wave and the distortion of its temporal profiles and cross-section structure of bounded beams. In particular, focal areas can form. Under certain conditions, the sound channel is formed that provides waveguide propagation of acoustic signals in the medium with similar inclusions. Thus, it is possible to control spatial-temporal structure of acoustic waves with the introduction of highly compressible inclusions with a given spatial distribution and concentration. The aim of this work is to study the propagation of acoustic waves in a rubberlike material with non-uniform spatial air cavities. The main objective is the development of an adequate theory of such structurally inhomogeneous media, theory of propagation of nonlinear acoustic waves and beams in these media, the calculation of the acoustic fields and identify the communication parameters of the medium and inclusions with characteristics of propagating waves. In the work the evolutionary self-consistent equation with integro-differential term is obtained describing in the low-frequency approximation propagation of intense acoustic beams in a medium with highly compressible cavities. In this equation the secondary acoustic field is taken into account caused by the dynamics of the cavities oscillations. The method is developed to obtain exact analytical solutions for nonlinear acoustic field of the beam on its axis and to calculate the field in the focal areas. The obtained results are applied to theoretical modeling of a material with non-uniform distribution of strongly compressible inclusions.
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Spatiotemporal dynamics and the principle of competitive exclusion in community
Computer Research and Modeling, 2017, v. 9, no. 5, pp. 815-824Views (last year): 11.Execution or violation of the principle of competitive exclusion in communities is the subject of many studies. The principle of competitive exclusion means that coexistence of species in community is impossible if the number of species exceeds the number of controlling mutually independent factors. At that time there are many examples displaying the violations of this principle in the natural systems. The explanations for this paradox vary from inexact identification of the set of factors to various types of spatial and temporal heterogeneities. One of the factors breaking the principle of competitive exclusion is intraspecific competition. This study holds the model of community with two species and one influencing factor with density-dependent mortality and spatial heterogeneity. For such models possibility of the existence of stable equilibrium is proved in case of spatial homogeneity and negative effect of the species on the factor. Our purpose is analysis of possible variants of dynamics of the system with spatial heterogeneity under the various directions of the species effect on the influencing factor. Numerical analysis showed that there is stable coexistence of the species agreed with homogenous spatial distributions of the species if the species effects on the influencing factor are negative. Density-dependent mortality and spatial heterogeneity lead to violation of the principle of competitive exclusion when equilibriums are Turing unstable. In this case stable spatial heterogeneous patterns can arise. It is shown that Turing instability is possible if at least one of the species effects is positive. Model nonlinearity and spatial heterogeneity cause violation of the principle of competitive exclusion in terms of both stable spatial homogenous states and quasistable spatial heterogeneous patterns.
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Analysis of taxis-driven instability of a predator–prey system through the plankton community model
Computer Research and Modeling, 2020, v. 12, no. 1, pp. 185-199The paper deals with a prey-predator model, which describes the spatiotemporal dynamics of plankton community and the nutrients. The system is described by reaction-diffusion-advection equations in a onedimensional vertical column of water in the surface layer. Advective term of the predator equation represents the vertical movements of zooplankton with velocity, which is assumed to be proportional to the gradient of phytoplankton density. This study aimed to determine the conditions under which these movements (taxis) lead to the spatially heterogeneous structures generated by the system. Assuming diffusion coefficients of all model components to be equal the instability of the system in the vicinity of stationary homogeneous state with respect to small inhomogeneous perturbations is analyzed.
Necessary conditions for the flow-induced instability were obtained through linear stability analysis. Depending on the local kinetics parameters, increasing the taxis rate leads to Turing or wave instability. This fact is in good agreement with conditions for the emergence of spatial and spatiotemporal patterns in a minimal phytoplankton–zooplankton model after flow-induced instabilities derived by other authors. This mechanism of generating patchiness is more general than the Turing mechanism, which depends on strong conditions on the diffusion coefficients.
While the taxis exceeding a certain critical value, the wave number corresponding to the fastest growing mode remains unchanged. This value determines the type of spatial structure. In support of obtained results, the paper presents the spatiotemporal dynamics of the model components demonstrating Turing-type pattern and standing wave pattern.
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Hypergeometric functions in model of General equilibrium of multisector economy with monopolistic competition
Computer Research and Modeling, 2017, v. 9, no. 5, pp. 825-836Views (last year): 10.We show that basic properties of some models of monopolistic competition are described using families of hypergeometric functions. The results obtained by building a general equilibrium model in a multisector economy producing a differentiated good in $n$ high-tech sectors in which single-product firms compete monopolistically using the same technology. Homogeneous (traditional) sector is characterized by perfect competition. Workers are motivated to find a job in high-tech sectors as wages are higher there. However, they are at risk to remain unemployed. Unemployment persists in equilibrium by labor market imperfections. Wages are set by firms in high-tech sectors as a result of negotiations with employees. It is assumed that individuals are homogeneous consumers with identical preferences that are given the separable utility function of general form. In the paper the conditions are found such that the general equilibrium in the model exists and is unique. The conditions are formulated in terms of the elasticity of substitution $\mathfrak{S}$ between varieties of the differentiated good which is averaged over all consumers. The equilibrium found is symmetrical with respect to the varieties of differentiated good. The equilibrium variables can be represented as implicit functions which properties are associated elasticity $\mathfrak{S}$ introduced by the authors. A complete analytical description of the equilibrium variables is possible for known special cases of the utility function of consumers, for example, in the case of degree functions, which are incorrect to describe the response of the economy to changes in the size of the markets. To simplify the implicit function, we introduce a utility function defined by two one-parameter families of hypergeometric functions. One of the families describes the pro-competitive, and the other — anti-competitive response of prices to an increase in the size of the economy. A parameter change of each of the families corresponds to all possible values of the elasticity $\mathfrak{S}$. In this sense, the hypergeometric function exhaust natural utility function. It is established that with the increase in the elasticity of substitution between the varieties of the differentiated good the difference between the high-tech and homogeneous sectors is erased. It is shown that in the case of large size of the economy in equilibrium individuals consume a small amount of each product as in the case of degree preferences. This fact allows to approximate the hypergeometric functions by the sum of degree functions in a neighborhood of the equilibrium values of the argument. Thus, the change of degree utility functions by hypergeometric ones approximated by the sum of two power functions, on the one hand, retains all the ability to configure parameters and, on the other hand, allows to describe the effects of change the size of the sectors of the economy.
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Features of the DNA kink motion in the asynchronous switching on and off of the constant and periodic fields
Computer Research and Modeling, 2018, v. 10, no. 4, pp. 545-558Views (last year): 29. Citations: 1 (RSCI).Investigation of the influence of external fields on living systems is one of the most interesting and rapidly developing areas of modern biophysics. However, the mechanisms of such an impact are still not entirely clear. One approach to the study of this issue is associated with modeling the interaction of external fields with internal mobility of biological objects. In this paper, this approach is used to study the effect of external fields on the motion of local conformational distortions — kinks, in the DNA molecule. Realizing and taking into account that on the whole this task is closely connected with the problem of the mechanisms of regulation of vital processes of cells and cellular systems, we set the problem — to investigate the physical mechanisms regulating the motion of kinks and also to answer the question whether permanent and periodic fields can play the role of regulators of this movement. The paper considers the most general case, when constant and periodic fields are switching on and off asynchronously. Three variants of asynchronous switching on/off are studied in detail. In the first variant, the time intervals (or diapasons) of the actions of the constant and periodic fields do not overlap, in the second — overlap, and in the third — the intervals are putting in each other. The calculations were performed for the sequence of plasmid pTTQ18. The kink motion was modeled by the McLaughlin–Scott equation, and the coefficients of the equation were calculated in a quasi-homogeneous approximation. Numerical experiments showed that constant and periodic fields exert a significant influence on the character of the kink motion and regulate it. So the switching on of a constant field leads to a rapid increase of the kink velocity and to the establishment of a stationary velocity of motion, and the switching on of a periodic field leads to the steady oscillations of the kink with the frequency of the external periodic field. It is shown that the behavior of the kink depends on the mutual arrangement of the diapasons of the action of the external fields. As it turned out, events occurring in one of the two diapasons can affect the events in the other diapason, even when the diapasons are sufficiently far apart. It is shown that the overlapping of the diapasons of action of the constant and periodic fields leads to a significant increase in the path traversed by the kink to a complete stop. Maximal growth of the path is observed when one diapason is putting in each other. In conclusion, the question of how the obtained model results could be related to the most important task of biology — the problem of the mechanisms of regulation of the processes of vital activity of cells and cellular systems is discussed.
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Pattern formation of a three-species predator – prey model with prey-taxis and omnivorous predator
Computer Research and Modeling, 2023, v. 15, no. 6, pp. 1617-1634The spatiotemporal dynamics of a three-component model for food web is considered. The model describes the interactions among resource, prey and predator that consumes both species. In a previous work, the author analyzed the model without taking into account spatial heterogeneity. This study continues the model study of the community considering the diffusion of individuals, as well as directed movements of the predator. It is assumed that the predator responds to the spatial change in the resource and prey density by occupying areas where species density is higher or avoiding them. Directed predator movement is described by the advection term, where velocity is proportional to the gradient of resource and prey density. The system is considered on a one-dimensional domain with zero-flux conditions as boundary ones. The spatiotemporal dynamics produced by model is determined by the system stability in the vicinity of stationary homogeneous state with respect to small inhomogeneous perturbations. The paper analyzes the possibility of wave instability leading to the emergence of autowaves and Turing instability, as a result of which stationary patterns are formed. Sufficient conditions for the existence of both types of instability are obtained. The influence of local kinetic parameters on the spatial structure formation was analyzed. It was shown that only Turing instability is possible when taxis on the resource is positive, but with a negative taxis, both types of instability are possible. The numerical solution of the system was found by using method of lines (MOL) with the numerical integration of ODE system by means of splitting techniques. The spatiotemporal dynamics of the system is presented in several variants, realizing one of the instability types. In the case of a positive taxis on the prey, both autowave and stationary structures are formed in smaller regions, with an increase in the region size, Turing structures are not formed. For negative taxis on the prey, stationary patterns is observed in both regions, while periodic structures appear only in larger areas.
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