All issues

The propagation of stable coherent entities of an electromagnetic field in nonlinear media with parameters varying in space can be described in the framework of iterations of nonlinear integral transformations. It is shown that for a set of geometries relevant to typical problems of nonlinear optics, numerical modeling by reducing to dynamical systems with discrete time and continuous spatial variables to iterates of local nonlinear Feigenbaum and Ikeda mappings and nonlocal diffusion-dispersion linear integral transforms is equivalent to partial differential equations of the Ginzburg–Landau type in a fairly wide range of parameters. Such nonlocal mappings, which are the products of matrix operators in the numerical implementation, turn out to be stable numerical- difference schemes, provide fast convergence and an adequate approximation of solutions. The realism of this approach allows one to take into account the effect of noise on nonlinear dynamics by superimposing a spatial noise specified in the form of a multimode random process at each iteration and selecting the stable wave configurations. The nonlinear wave formations described by this method include optical phase singularities, spatial solitons, and turbulent states with fast decay of correlations. The particular interest is in the periodic configurations of the electromagnetic field obtained by this numerical method that arise as a result of phase synchronization, such as optical lattices and self-organized vortex clusters.

The work is devoted to the development of a computational algorithm of the Cartesian grid method for studying the interaction of a shock wave with moving bodies with a piecewise linear boundary. The interest in such problems is connected with direct numerical simulation of two-phase media flows. The effect of the particle shape can be important in the problem of dust layer dispersion behind a passing shock wave. Experimental data on the coefficient of aerodynamic drag of non-spherical particles are practically absent.

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. 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. At each time step, all cells are divided into two classes – external (inside the body or intersected by its boundaries) and internal (completely filled with gas). The solution of the Euler equations is constructed only in the internal ones. The main difficulty is the calculation of the numerical flux through the edges common to the internal and external cells intersected by the moving boundaries of the bodies. To calculate this flux, we use a two-wave approximation for solving the Riemann problem and the Steger-Warming scheme. A detailed description of the numerical algorithm is presented.

The efficiency of the algorithm is demonstrated on the problem of lifting a cylinder with a base in the form of a circle, ellipse and rectangle behind a passing shock wave. A circular cylinder test was considered in many papers devoted to the immersed boundary methods development. A qualitative and quantitative analysis of the trajectory of the cylinder center mass is carried out on the basis of comparison with the results of simulations presented in eight other works. For a cylinder with a base in the form of an ellipse and a rectangle, a satisfactory agreement was obtained on the dynamics of its movement and rotation in comparison with the available few literary sources. Grid convergence of the results is investigated for the rectangle. It is shown that the relative error of mass conservation law fulfillment decreases with a linear rate.

The article presented the computational algorithm developed to study chemical processes in the internal flows of a multicomponent gas under the influence of laser radiation. The mathematical model is the gas dynamics’ equations with chemical reactions at low Mach numbers. It takes into account dissipative terms that describe the dynamics of a viscous heat-conducting medium with diffusion, chemical reactions and energy supply by laser radiation. This mathematical model is characterized by the presence of several very different time and spatial scales. The computational algorithm is based on a splitting scheme by physical processes. Each time integration step is divided into the following blocks: solving the equations of chemical kinetics, solving the equation for the radiation intensity, solving the convection-diffusion equations, calculating the dynamic component of pressure and calculating the correction of the velocity vector. The solution of a stiff system of chemical kinetics equations is carried out using a specialized explicit second-order accuracy scheme or a plug-in RADAU5 module. Numerical Rusanov flows and a WENO scheme of an increased order of approximation are used to find convective terms in the equations. The code based on the obtained algorithm has been developed using MPI parallel computing technology. The developed code is used to calculate the pyrolysis of ethane with radical reactions. The superequilibrium concentrations’ formation of radicals in the reactor volume is studied in detail. Numerical simulation of the reaction gas flow in a flat tube with laser radiation supply is carried out, which is in demand for the interpretation of experimental results. It is shown that laser radiation significantly increases the conversion of ethane and yields of target products at short lengths closer to the entrance to the reaction zone. Reducing the effective length of the reaction zone allows us to offer new solutions in the design of ethane conversion reactors into valuable hydrocarbons. The developed algorithm and program will find their application in the creation of new technologies of laser thermochemistry.

In this paper, the structure of a shock wave in a binary gas mixture is studied on the basis of direct solution of the Boltzmann kinetic equation. The conservative projection method is used to evaluate the collision integral in the kinetic equation. The applied evaluation formulas and numerical methods are described in detail. The model of hard spheres is used as an interaction potential of molecules. Numerical simulation is performed using the developed simulation environment software, which makes it possible to study both steady and non-steady flows of gas mixtures in various flow regimes and for an arbitrary geometry of the problem. Modeling is performed on a cluster architecture. Due to the use of code parallelization technologies, a significant acceleration of computations is achieved. With a fixed accuracy controlled by the simulation parameters, the distributions of macroscopic characteristics of the mixture components through the shock wave front were obtained. Computations were conducted for various ratios of molecular masses and Mach numbers. The total accuracy of at least 1% for the local values of molecular density and temperature and 3% for the shock front width was achieved. The obtained results were compared with existing computation data. The results presented in this paper are of theoretical significance, and can serve as a test computation, since they are obtained using the exact Boltzmann equation.

Integration of LIF protein into the bilayer lipid membrane causes the formation of ion channels. The data on activity of ion channels formed by recombinant protein from mouse and human origin are shown. Also the difference in the effect of LIF protein from eukaryotic and prokaryotic origin is shown.

The aim of research is to develop software system for solving gas dynamic problem in multiply connected integration domains of regular shape by high-performance computing system. Comparison of the various technologies of parallel computing has been done. The program complex is implemented using multithreaded parallel systems to organize both multi-core and massively parallel calculation. The comparison of numerical results with known model problems solutions has been done. Research of performance of different computing platforms has been done.

New key parameters, namely b₀ = tgθ₀, θ₀ — angle of throwing, R_a — top curvature radius and β₀ — dimensionless speed square on the top of low angular trajectory were suggested in classic problem of integrating nonlinear equations of point mass projectile motion with quadratic air drag. Very precise formulae were obtained in a new way for coordinates x(b), y(b) and fly time t(b), b = tgθ where θ is inclination angle. This method is based on Legendre transformation and its precision is automatically improved in wide range of the θ₀ values and drag force parameters α. The precision was monitored by Maple computing product.

Complex geometric organization of subcellular structures such as photosynthetic or mitochondrial membranes determines mechanism of electron and proton transfer processes. We propose new approach in modeling processes, where geometric shape of membranes is accurately taken into account. Different stages of charge transfer process are simulated using different approaches, which are integrated into a combined model. We implemented this model as software which utilizes parallel computations on high-performance clusters and GPUs for better performance.

Mathematical simulation on unsteady natural convection in a closed porous cylindrical cavity having finite thickness heat-conducting solid walls in conditions of convective heat exchange with an environment has been carried out. A boundary-value problem of mathematical physics formulated in dimensionless variables such as stream function and temperature on the basis of Darcy–Boussinesq model has been solved by finite difference method. Effect of a porous medium permeability 10^–5≤Da<∞, ratio between a solid wall thickness and the inner radius of a cylinder 0.1≤h/L≤0.3, a thermal conductivity ratio 1≤λ_1,2≤20 and a dimensionless time on both local distributions of isolines and isotherms and integral complexes reflecting an intensity of convective flow and heat transfer has been analyzed in detail.

In this paper, we present new parallel algorithms for finite element analysis implemented in the FEStudio software framework. We describe the programming model of finite element method, which supports parallelism on different stages of numerical simulations. Using this model, we develop parallel algorithms of numerical integration for dynamic problems and local stiffness matrices. For constructing and solving the systems of equations, we use the CUDA programming platform.