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The second part of paper is devoted to final study of three classic partial differential equations (Laplace, Diffusion and Wave) solution using simple numerical methods in terms of Cellular Automata. Specificity of this solution has been shown by different examples, which are related to the hexagonal grid. Also the next statements that are mentioned in the first part have been proved: the matter conservation law and the offensive effect of excessive hexagonal symmetry.

From the point of CA view diffusion equation is the most important. While solving of diffusion equation at the infinite time interval we can find solution of boundary value problem of Laplace equation and if we introduce vector-variable we will solve wave equation (at least, for scalar). The critical requirement for the sampling of the boundary conditions for CA-cells has been shown during the solving of problem of circular membrane vibrations with Neumann boundary conditions. CA-calculations using the simple scheme and Margolus rotary-block mechanism were compared for the quasione-dimensional problem “diffusion in the half-space”. During the solving of mixed task of circular membrane vibration with the fixed ends in a classical case it has been shown that the simultaneous application of the Crank–Nicholson method and taking into account of the second-order terms is allowed to avoid the effect of excessive hexagonal symmetry that was studied for a simple scheme.

By the example of the centrally symmetric Neumann problem a new method of spatial derivatives introducing into the postfix CA procedure, which is reflecting the time derivatives (on the base of the continuity equation) was demonstrated. The value of the constant that is related to these derivatives has been empirically found in the case of central symmetry. The low rate of convergence and accuracy that limited within the boundaries of the sample, in contrary to the formal precision of the method (4-th order), prevents the using of the CAmethods for such problems. We recommend using multigrid method. During the solving of the quasi-diffusion equations (two-dimensional CA) it was showing that the rotary-block mechanism of CA (Margolus mechanism) is more effective than simple CA.

The paper considers hereditarity oscillator which is characterized by oscillation equation with derivatives of fractional order $\beta$ and $\gamma$, which are defined in terms of Gerasimova-Caputo. Using Laplace transform were obtained analytical solutions and the Green’s function, which are determined through special functions of Mittag-Leffler and Wright generalized function. It is proved that for fixed values of $\beta = 2$ and $\gamma = 1$, the solution found becomes the classical solution for a harmonic oscillator. According to the obtained solutions were built calculated curves and the phase trajectories hereditarity oscillatory process. It was found that in the case of an external periodic influence on hereditarity oscillator may occur effects inherent in classical nonlinear oscillators.

Equations of motion in Newtonian and Hamiltonian forms are used for classical molecular dynamics simulation of particle system time evolution. When Newton equations of motion are used for finding of particle coordinates and velocities in $N$-particle system it takes to solve $3N$ ordinary differential equations of second order at every time step. Traditionally numerical schemes of Verlet method are used for solving Newtonian equations of motion of molecular dynamics. A step of integration is necessary to decrease for Verlet numerical schemes steadiness conservation on sufficiently large time intervals. It leads to a significant increase of the volume of calculations. Numerical schemes of Verlet method with Hamiltonian conservation control (the energy of the system) at every time moment are used in the most software packages of molecular dynamics for numerical integration of equations of motion. It can be used two complement each other approaches to decrease of computational time in molecular dynamics calculations. The first of these approaches is based on enhancement and software optimization of existing software packages of molecular dynamics by using of vectorization, parallelization and special processor construction. The second one is based on the elaboration of efficient methods for numerical integration for equations of motion. A procedure for constructing of explicit, implicit and symmetric symplectic numerical schemes with given approximation accuracy in relation to integration step for solving of molecular dynamic equations of motion in Hamiltonian form is proposed in this work. The approach for construction of proposed in this work procedure is based on the following points: Hamiltonian formulation of equations of motion; usage of Taylor expansion of exact solution; usage of generating functions, for geometrical properties of exact solution conservation, in derivation of numerical schemes. Numerical experiments show that obtained in this work symmetric symplectic third-order accuracy scheme conserves basic properties of the exact solution in the approximate solution. It is more stable for approximation step and conserves Hamiltonian of the system with more accuracy at a large integration interval then second order Verlet numerical schemes.

The paper has methodical character; it is devoted to three classic partial differential equations (Laplace, Diffusion and Wave) solution using simple numerical methods in terms of Cellular Automata. Special attention was payed to the matter conservation law and the offensive effect of excessive hexagonal symmetry.

It has been shown that in contrary to finite-difference approach, in spite of terminological equivalence of CA local transition function to the pattern of computing double layer explicit method, CA approach contains the replacement of matrix technique by iterative ones (for instance, sweep method for three diagonal matrixes). This suggests that discretization of boundary conditions for CA-cells needs more rigid conditions.

The correct local transition function (LTF) of the boundary cells, which is valid at least for the boundaries of the rectangular and circular shapes have been firstly proposed and empirically given for the hexagonal grid and the conservative boundary conditions. The idea of LTF separation into «internal», «boundary» and «postfix» have been proposed. By the example of this problem the value of the Courant-Levy constant was re-evaluated as the CA convergence speed ratio to the solution, which is given at a fixed time, and to the rate of the solution change over time.

One- and two-dimensional hydrodynamic models of turbulent transfer within the atmospheric surface layer under neutral thermal stratification are considered. Both models are based on the solution of system of the timeaveraged equations of Navier – Stokes and continuity using a 1.5-order closure scheme as well as equations for turbulent kinetic energy and the rate of its dissipation. The influence of the upper and lower boundary conditions on vertical profiles of wind speed and turbulence parameters within the atmospheric surface layer was derived using an one-dimensional model usually applied in case of an uniform ground surface. The boundary conditions in the model were prescribed in such way that the vertical wind and turbulence patterns were well agreed with widely used logarithmic vertical profile of wind speed, linear dependence of turbulent exchange coefficient on height above ground surface level and constancy of turbulent kinetic energy within the atmospheric surface layer under neutral atmospheric conditions. On the basis of the classical one-dimensional model it is possible to obtain a number of relationships which link the vertical wind speed gradient, turbulent kinetic energy and the rate of its dissipation. Each of these relationships can be used as a boundary condition in our hydrodynamic model. The boundary conditions for the wind speed and the rate of dissipation of turbulent kinetic energy were selected as parameters to provide the smallest deviations of model calculations from classical distributions of wind and turbulence parameters. The corresponding upper and lower boundary conditions were used to define the initial and boundary value problem in the two-dimensional hydrodynamic model allowing to consider complex topography and horizontal vegetation heterogeneity. The two-dimensional model with selected optimal boundary conditions was used to describe the spatial pattern of turbulent air flow when it interacted with the forest edge. The dynamics of the air flow establishment depending on the distance from the forest edge was analyzed. For all considered initial and boundary value problems the unconditionally stable implicit finite-difference schemes of their numerical solution were developed and implemented.

A set of implicit difference schemes on the five-pointwise stensil is under construction. The analysis of properties of difference schemes is carried out in a space of undetermined coefficients. The spaces were introduced for the first time by A. S. Kholodov. Usually for properties of difference schemes investigation the problem of the linear programming was constructed. The coefficient at the main term of a discrepancy was considered as the target function. The optimization task with inequalities type restrictions was considered for construction of the monotonic difference schemes. The limitation of such an approach becomes clear taking into account that approximation of the difference scheme is defined only on the classical (smooth) solutions of partial differential equations.

The functional which minimum will be found put in compliance to the difference scheme. The functional must be the linear on the difference schemes coefficients. It is possible that the functional depends on net function – the solution of a difference task or a grid projection of the differential problem solution. If the initial terms of the functional expansion in a Taylor series on grid parameters are equal to conditions of classical approximation, we will call that the functional will be the generalized condition of approximation. It is shown that such functionals exist. For the simple linear partial differential equation with constant coefficients construction of the functional is possible also for the generalized (non-smooth) solution of a differential problem.

Families of functionals both for smooth solutions of an initial differential problem and for the generalized solution are constructed. The new difference schemes based on the analysis of the functionals by linear programming methods are constructed. At the same time the research of couple of self-dual problems of the linear programming is used. The optimum monotonic difference scheme possessing the first order of approximation on the smooth solution of differential problem is found. The possibility of application of the new schemes for creation of hybrid difference methods of the raised approximation order on smooth solutions is discussed.

The example of numerical implementation of the simplest difference scheme with the generalized approximation is given.

This work is dedicated to application of bicompact schemes to numerical solution of evolutionary hyperbolic equations. The main advantage of this class of schemes lies in combination of two beneficial properties: the first one is spatial approximation of high even order on a stencil that always occupies only one mesh cell; the second one is spectral resolution which is better in comparison to classic compact finite-difference schemes of the same order of spatial approximation. One feature of bicompact schemes is considered: their spatial approximation is rigidly tied to Cartesian meshes (with parallelepiped-shaped cells in three-dimensional case). This feature makes rather challenging any application of bicompact schemes to problems with complex computational domains as treated in the framework of unstructured meshes. This problem is proposed to be solved using well-known methods for treating complex-shaped boundaries and their corresponding boundary conditions on Cartesian meshes. The generalization of bicompact schemes on problems in geometrically complex domains is made in case of gas dynamics problems and Euler equations. The free boundary method is chosen as a particular tool to introduce the influence of arbitrary-shaped solid boundaries on gas flows on Cartesian meshes. A brief description of this method is given, its governing equations are written down. Bicompact schemes of fourth order of approximation in space with locally one-dimensional splitting are constructed for equations of the free boundary method. Its compensation flux is discretized with second order of accuracy. Time stepping in the obtained schemes is done with the implicit Euler method and the third order accurate $L$-stable stiffly accurate three-stage singly diagonally implicit Runge–Kutta method. The designed bicompact schemes are tested on three two-dimensional problems: stationary supersonic flows with Mach number three past one circular cylinder and past three circular cylinders; the non-stationary interaction of planar shock wave with a circular cylinder in a channel with planar parallel walls. The obtained results are in a good agreement with other works: influence of solid bodies on gas flows is physically correct, pressure in control points on solid surfaces is calculated with the accuracy appropriate to the chosen mesh resolution and level of numerical dissipation.

This article discusses the features of the numerical solutions of some problems for cnoidal waves, which are periodic solutions of the classical Korteweg – de Vries equation of the traveling wave type. Exact solutions describing these waves were obtained by communicating the autowave approximation of the Korteweg – de Vries equation to ordinary functions of the third, second, and finally, first orders. Referring to a numerical example shows that in this way ordinary differential equations are not equivalent. The theorem formulated and proved in this article and the remark to it include the set of solutions of the first and second order, which, in their ordinal, are not equivalent. The ordinary differential equation of the first order obtained by the autowave approximation for the description of a cnoidal wave (a periodic solution) and a soliton (a solitary wave). Despite this, from a computational point of view, this equation is the most inconvenient. For this equation, the Lipschitz condition for the sought-for function is not satisfied in the neighborhood of constant solutions. Hence, the existence theorem and the unique solutions of the Cauchy problem for an ordinary differential equation of the first order are not valid. In particular, the uniqueness of the solution to the Cauchy problem is violated at stationary points. Therefore, for an ordinary differential equation of the first order, obtained from the Korteweg – de Vries equation, both in the case of a cnoidal wave and in the case of a soliton, the Cauchy problem cannot be posed at the extremum points. The first condition can be a set position between adjacent extremum points. But for the second, third and third orders, the initial conditions can be set at the growth points and at the extremum points. In this case, the segment for the numerical solution greatly expands and periodicity is observed. For the solutions of these ordinary solutions, the statements of the Cauchy problems are studied, and the results are compared with exact solutions and with each other. A numerical realization of the transformation of a cnoidal wave into a soliton is shown. The results of the article have a hemodynamic interpretation of the pulsating blood flow in a cylindrical blood vessel consisting of elastic rings.

Mathematical models of many natural processes are described by partial differential equations with singular solutions. Classical numerical methods for determination of approximate solution to such problems are inefficient. In the present paper a boundary value problem for vector wave equation in L-shaped domain is considered. The presence of reentrant corner of size $3\pi/2$ on the boundary of computational domain leads to the strong singularity of the solution, i.e. it does not belong to the Sobolev space $H^1$ so classical and special numerical methods have a convergence rate less than $O(h)$. Therefore in the present paper a special weighted set of vector-functions is introduced. In this set the solution of considered boundary value problem is defined as $R_ν$-generalized one.

For numerical determination of the $R_ν$-generalized solution a weighted vector finite element method is constructed. The basic difference of this method is that the basis functions contain as a factor a special weight function in a degree depending on the properties of the solution of initial problem. This allows to significantly raise a convergence speed of approximate solution to the exact one when the mesh is refined. Moreover, introduced basis functions are solenoidal, therefore the solenoidal condition for the solution is taken into account precisely, so the spurious numerical solutions are prevented.

Results of numerical experiments are presented for series of different type model problems: some of them have a solution containing only singular component and some of them have a solution containing a singular and regular components. Results of numerical experiment showed that when a finite element mesh is refined a convergence rate of the constructed weighted vector finite element method is $O(h)$, that is more than one and a half times better in comparison with special methods developed for described problem, namely singular complement method and regularization method. Another features of constructed method are algorithmic simplicity and naturalness of the solution determination that is beneficial for numerical computations.

An essential class of problems describes physical processes occurring in non-convex domains containing a corner greater than 180 degrees on the boundary. The solution in a neighborhood of a corner is singular and its finding using classical approaches entails a loss of accuracy. In the paper, we consider stationary, linearized by Picard’s iterations, Navier – Stokes equations governing the flow of a incompressible viscous fluid in the convection form in $L$-shaped domain. An $R_\nu$-generalized solution of the problem in special sets of weighted spaces is defined. A special finite element method to find an approximate $R_\nu$-generalized solution is constructed. Firstly, functions of the finite element spaces satisfy the law of conservation of mass in the strong sense, i.e. at the grid nodes. For this purpose, Scott – Vogelius element pair is used. The fulfillment of the condition of mass conservation leads to the finding more accurate, from a physical point of view, solution. Secondly, basis functions of the finite element spaces are supplemented by weight functions. The degree of the weight function, as well as the parameter $\nu$ in the definition of an $R_\nu$-generalized solution, and a radius of a neighborhood of the singularity point are free parameters of the method. A specially selected combination of them leads to an increase almost twice in the order of convergence rate of an approximate solution to the exact one in relation to the classical approaches. The convergence rate reaches the first order by the grid step in the norms of Sobolev weight spaces. Thus, numerically shown that the convergence rate does not depend on the corner value.