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2D microscopic and macroscopic simulation of water and porous material interaction
Computer Research and Modeling, 2018, v. 10, no. 1, pp. 77-86Views (last year): 10.In various areas of science, technology, environment protection, construction, it is very important to study processes of porous materials interaction with different substances in different aggregation states. From the point of view of ecology and environmental protection it is particularly actual to investigate processes of porous materials interaction with water in liquid and gaseous phases. Since one mole of water contains 6.022140857 · 1023 molecules of H2O, macroscopic approaches considering the water vapor as continuum media in the framework of classical aerodynamics are mainly used to describe properties, for example properties of water vapor in the pore. In this paper we construct and use for simulation the macroscopic two-dimensional diffusion model [Bitsadze, Kalinichenko, 1980] describing the behavior of water vapor inside the isolated pore. Together with the macroscopic model it is proposed microscopic model of the behavior of water vapor inside the isolated pores. This microscopic model is built within the molecular dynamics approach [Gould et al., 2005]. In the microscopic model a description of each water molecule motion is based on Newton classical mechanics considering interactions with other molecules and pore walls. Time evolution of “water vapor – pore” system is explored. Depending on the external to the pore conditions the system evolves to various states of equilibrium, characterized by different values of the macroscopic characteristics such as temperature, density, pressure. Comparisons of results of molecular dynamic simulations with the results of calculations based on the macroscopic diffusion model and experimental data allow to conclude that the combination of macroscopic and microscopic approach could produce more adequate and more accurate description of processes of water vapor interaction with porous materials.
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Controlling the movement of the body using internal masses in a viscous liquid
Computer Research and Modeling, 2018, v. 10, no. 4, pp. 445-460Views (last year): 21. Citations: 2 (RSCI).This article is devoted to the study of self-propulsion of bodies in a fluid by the action of internal mechanisms, without changing the external shape of the body. The paper presents an overview of theoretical papers that justify the possibility of this displacement in ideal and viscous liquids.
A special case of self-propulsion of a rigid body along the surface of a liquid is considered due to the motion of two internal masses along the circles. The paper presents a mathematical model of the motion of a solid body with moving internal masses in a three-dimensional formulation. This model takes into account the three-dimensional vibrations of the body during motion, which arise under the action of external forces-gravity force, Archimedes force and forces acting on the body, from the side of a viscous fluid.
The body is a homogeneous elliptical cylinder with a keel located along the larger diagonal. Inside the cylinder there are two material point masses moving along the circles. The centers of the circles lie on the smallest diagonal of the ellipse at an equal distance from the center of mass.
Equations of motion of the system (a body with two material points, placed in a fluid) are represented as Kirchhoff equations with the addition of external forces and moments acting on the body. The phenomenological model of viscous friction is quadratic in velocity used to describe the forces of resistance to motion in a fluid. The coefficients of resistance to movement were determined experimentally. The forces acting on the keel were determined by numerical modeling of the keel oscillations in a viscous liquid using the Navier – Stokes equations.
In this paper, an experimental verification of the proposed mathematical model was carried out. Several series of experiments on self-propulsion of a body in a liquid by means of rotation of internal masses with different speeds of rotation are presented. The dependence of the average propagation velocity, the amplitude of the transverse oscillations as a function of the rotational speed of internal masses is investigated. The obtained experimental data are compared with the results obtained within the framework of the proposed mathematical model.
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Parallel implementation of numerical algorithm of solving coupled internal ballistics modelling problem for solid rocket motors
Computer Research and Modeling, 2021, v. 13, no. 1, pp. 47-65We present a physico-mathematical statement of coupled geometrical and gas dynamics problem of intrachamber processes simulation and calculation of main internal ballistics characteristics of solid rocket motors in axisymmetric approximation. Method and numerical algorithm of solving the problem are described in this paper. We track the propellant burning surface using the level set method. This method allows us to implicitly represent the surface on a fixed Cartesian grid as zero-level of some function. Two-dimensional gas-dynamics equations describe a flow of combustion products in a solid rocket motor. Due to inconsistency of domain boundaries and nodes of computational grid, presence of ghost points lying outside the computational domain is taken into account. For setting the values of flow parameters in ghost points, we use the inverse Lax – Wendroff procedure. We discretize spatial derivatives of level set and gas-dynamics equations with standard WENO schemes of fifth and third-order respectively and time derivatives using total variation diminishing Runge –Kutta methods. We parallelize the presented numerical algorithm using CUDA technology and further optimize it with regard to peculiarities of graphics processors architecture.
Created software package is used for calculating internal ballistics characteristics of nozzleless solid rocket motor during main firing phase. On the base of obtained numerical results, we discuss efficiency of parallelization using CUDA technology and applying considered optimizations. It has been shown that implemented parallelization technique leads to a significant acceleration in comparison with central processes. Distributions of key parameters of combustion products flow in different periods of time have been presented in this paper. We make a comparison of obtained results between quasione-dimensional approach and developed numerical technique.
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Variational principle for shape memory solids under variable external forces and temperatures
Computer Research and Modeling, 2021, v. 13, no. 3, pp. 541-555The quasistatic deformation problem for shape memory alloys is reviewed within the phenomenological mechanics of solids without microphysics analysis. The phenomenological approach is based on comparison of two material deformation diagrams. The first diagram corresponds to the active proportional loading when the alloy behaves as an ideal elastoplastic material; the residual strain is observed after unloading. The second diagram is relevant to the case when the deformed sample is heated to a certain temperature for each alloy. The initial shape is restored: the reverse distortion matches deformations on the first diagram, except for the sign. Because the first step of distortion can be described with the variational principle, for which the existence of the generalized solutions is proved under arbitrary loading, it becomes clear how to explain the reverse distortion within the slightly modified theory of plasticity. The simply connected surface of loading needs to be replaced with the doubly connected one, and the variational principle needs to be updated with two laws of thermodynamics and the principle of orthogonality for thermodynamic forces and streams. In this case it is not difficult to prove the existence of solutions either. The successful application of the theory of plasticity under the constant temperature causes the need to obtain a similar result for a more general case of variable external forces and temperatures. The paper studies the ideal elastoplastic von Mises model at linear strain rates. Taking into account hardening and arbitrary loading surface does not cause any additional difficulties.
The extended variational principle of the Reissner type is defined. Together with the laws of thermal plasticity it enables to prove the existence of the generalized solutions for three-dimensional bodies made of shape memory materials. The main issue to resolve is a challenge to choose a functional space for the rates and deformations of the continuum points. The space of bounded deformation, which is the main instrument of the mathematical theory of plasticity, serves this purpose in the paper. The proving process shows that the choice of the functional spaces used in the paper is not the only one. The study of other possible problem settings for the extended variational principle and search for regularity of generalized solutions seem an interesting challenge for future research.
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Numerical study of the dynamics of motion of a square body in a supersonic flow behind a shock wave
Computer Research and Modeling, 2022, v. 14, no. 4, pp. 755-766In a number of fundamental and practical problems, it is necessary to describe the dynamics of the motion of complexshaped particles in a high-speed gas flow. An example is the movement of coal particles behind the front of a strong shock wave during an explosion in a coal mine. The paper is devoted to numerical simulation of the dynamics of translational and rotational motion of a square-shaped body, as an example of a particle of a more complex shape than a round one, in a supersonic flow behind a passing shock wave. The formulation of the problem approximately corresponds to the experiments of Professor V. M. Boiko and Professor S. V. Poplavski (ITAM SB RAS).
Mathematical model is based on the two-dimensional Euler equations, which are solved in a region with varying boundaries. The defining system of equations is integrated using an explicit scheme and the Cartesian grid method which was developed and verified earlier. The computational algorithm at the time integration step includes: determining the step value, calculating the dynamics of the body movement (determining the force and moment acting on the body; determining the linear and angular velocities of the body; calculating the new coordinates of the body), calculating the gas parameters. To calculate numerical fluxes through the edges of the cell intersected by the boundaries of the body, we use a two-wave approximation for solving the Riemann problem and the Steger – Warming scheme.
The movement of a square with a side of 6 mm was initiated by the passage of a shock wave with a Mach number of 3,0 propagating in a flat channel 800 mm long and 60 mm wide. The channel was filled with air at low pressure. Different initial orientation of the square relative to the channel axis was considered. It is found that the initial position of the square with its side across the flow is less stable during its movement than the initial position with a diagonal across the flow. In this case, the calculated results qualitatively correspond to experimental observations. For the intermediate initial positions of a square, a typical mode of its motion is described, consisting of oscillations close to harmonic, turning into rotation with a constant average angular velocity. During the movement of the square, there is an average monotonous decrease in the distance between the center of mass and the center of pressure to zero.
Keywords: shock wave, Cartesian grid method, Euler equations, supersonic flow, square body, rotation. -
Analysis of the dispersion characteristics of metallic photonic crystals by the plane-wave expansion method
Computer Research and Modeling, 2022, v. 14, no. 5, pp. 1059-1068A method for studying the dispersion characteristics of photonic crystals — media with a dielectric constant that varies periodically in space — is considered. The method is based on the representation of the wave functions and permittivity of a periodic medium in the form of Fourier series and their subsequent substitution into the wave equation, which leads to the formulation of the dispersion equation. Using the latter, for each value of the wave vector it is possible determined a set of eigen frequencies. Each of eigen frequency forms a separate dispersion curve as a continuous function of the wave number. The Fourier expansion coefficients of the permittivity, which depend on the vectors of the reciprocal lattice of the photonic crystal, are determined on the basis of data on the geometric characteristics of the elements that form the crystal, their electrophysical properties and the density of the crystal. The solution of the dispersion equation found makes it possible to obtain complete information about the number of modes propagating in a periodic structure at different frequencies, and about the possibility of forming band gaps, i.e. frequency ranges within which wave propagation through a photonic crystal is impossible. The focus of this work is on the application of this method to the analysis of the dispersion properties of metallic photonic crystals. The difficulties that arise in this case due to the presence of intrinsic dispersion properties of the metals that form the elements of the crystal are overcome by an analytical description of their permittivity based on the model of free electrons. As a result, a dispersion equation is formulated, the numerical solution of which is easily algorithmized. That makes possible to determine the dispersion characteristics of metallic photonic crystals with arbitrary parameters. Obtained by this method the results of calculation of dispersion diagrams, which characterize two-dimensional metal photonic crystals, are compared with experimental data and numerical results obtained using the method of self-consistent equations. Their good agreement is demonstrated.
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Simulation of uneven combustion and stress-strain state of powder elements of a tubular charge during firing
Computer Research and Modeling, 2022, v. 14, no. 6, pp. 1281-1300The paper presents the physical and mathematical formulation of the problems of internal ballistics of an artillery shot for a charge consisting of a set of powder tubes and their stress-strain state. Combustion and movement of a bundle of powder tubes along the barrel channel is modeled by an equivalent tubular charge of all-round combustion. It is assumed that the equivalent tube moves along the axis of the bore. The speed of movement of an equivalent tubular charge and its current position are determined from Newton’s second law. When calculating the flow parameters, two-dimensional axisymmetric equations of gas dynamics were used, for the solution of which an axisymmetric orthogonalized difference grid is constructed, which adapts to the flow conditions. The control volume method is used to numerically solve the system of gas-dynamic equations. The gas parameters at the boundaries of the control volumes are determined using a self-similar solution to the Godunov’s problem of the decay of an arbitrary discontinuity. The stress-strain state is modeled for a separate burning powder tube located in the field of gas-dynamic parameters. The calculation of the gas-dynamic parameters of the shot is carried out without taking into account the deformed state of the powder elements. The behavior of powder elements during firing is considered under these conditions. The finite element method with the division of the calculation area into triangular elements is used to solve the problem of elasticity. In the process of powder tube burnout, the computational grid on each time layer of the dynamic problem is completely updated due to a change in the boundaries of the powder element due to combustion. The paper shows the time dependences of the parameters of the internal ballistics process and the stress-strain state of powder elements, as well as the distribution of the main parameters of the flow of combustion products at different points in time. It has been established that the tubular powder elements during the shot experience significant deformations, which must be taken into account when solving the basic problem of internal ballistics. The data obtained give an idea of the level of equivalent stresses acting at various points of the powder element. The results obtained indicate the relevance of the conjugate formulation of the problem of gas dynamics and the stress-strain state for charges consisting of tubular powders, since this allows a new approach to the design of tubular charges and opens up the possibility of determining the parameters on which the physics of the combustion process of gunpowder significantly depends, therefore, and the dynamics of the shot process.
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Exact solutions of Ekman’s model for three-dimensional wind-induced flow of homogeneous fluid with geostrophic current
Computer Research and Modeling, 2009, v. 1, no. 1, pp. 57-66The first solution for wind-induced flow of homogeneous fluid was found in 1905 by Ekman and it involved the sum of two components: the drift current determined by wind stress and the geostrophic current determined by slope of the free surface. Drift current is defined by the specific formula and can be easily analyzed. In order to find the geostrophic current it is necessary to solve an elliptic type equation in the area bounded by coastline and it is a more difficult problem. In this paper examples of areas and wind stresses are given for the case when the equations for finding the geostrophic current are solved analytically.
Keywords: wind-induced flow, Ekman's model.Views (last year): 2. -
An investigation of an action potential propagation in vascular plant using FitzHugh-Nagumo model
Computer Research and Modeling, 2011, v. 3, no. 1, pp. 77-84Views (last year): 3. Citations: 4 (RSCI).A two-dimensional system of excitable cells, describing by the FitzHugh-Nagumo model, has been used for a theoretical investigation of an action potential propagation (AP) in vascular plant tissues. It is shown that growth of electrical conductivity between cells increases the AP generation threshold and its propagation velocity in the homogeneous system, which has been formed by equal elements. The plant symplast has been
described by the heterogeneous system, including elements with low electrical conductivity, which simulate parenchyma cells, and elements with high electrical conductivity, which simulate sieve elements. Analysis of this system shows that the threshold of the AP generation is similar with this threshold in the homogeneous system
with low electrical conductivity; the velocity of the AP propagation is faster than one in this system. -
Bottom stability in closed conduits
Computer Research and Modeling, 2015, v. 7, no. 5, pp. 1061-1068Views (last year): 1. Citations: 2 (RSCI).In this paper on the basis of the riverbed model proposed earlier the one-dimensional stability problem of closed flow channel with sandy bed is solved. The feature of the investigated problem is used original equation of riverbed deformations, which takes into account the influence of mechanical and granulometric bed material characteristics and the bed slope when riverbed analyzing. Another feature of the discussed problem is the consideration together with shear stress influence normal stress influence when investigating the riverbed instability. The analytical dependence determined the wave length of fast-growing bed perturbations is obtained from the solution of the sandy bed stability problem for closed flow channel. The analysis of the obtained analytical dependence is performed. It is shown that the obtained dependence generalizes the row of well-known empirical formulas: Coleman, Shulyak and Bagnold. The structure of the obtained analytical dependence denotes the existence of two hydrodynamic regimes characterized by the Froude number, at which the bed perturbations growth can strongly or weakly depend on the Froude number. Considering a natural stochasticity of the waves movement process and the presence of a definition domain of the solution with a weak dependence on the Froude numbers it can be concluded that the experimental observation of the of the bed waves movement development should lead to the data acquisition with a significant dispersion and it occurs in reality.
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