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Comparative analysis of two numerical methods for simulation of unsteady natural convection and thermal surface radiation within a differentially heated cubical cavity has been carried out. The considered domain of interest had two isothermal opposite vertical faces, while other walls are adiabatic. The walls surfaces were diffuse and gray, namely, their directional spectral emissivity and absorptance do not depend on direction or wavelength but can depend on surface temperature. For the reflected radiation we had two approaches such as: 1) the reflected radiation is diffuse, namely, an intensity of the reflected radiation in any point of the surface is uniform for all directions; 2) the reflected radiation is uniform for each surface of the considered enclosure. Mathematical models formulated both in primitive variables “velocity–pressure” and in transformed variables “vector potential functions – vorticity vector” have been performed numerically using finite volume method and finite difference methods, respectively. It should be noted that radiative heat transfer has been analyzed using the net-radiation method in Poljak approach.

Using primitive variables and finite volume method for the considered boundary-value problem we applied power-law for an approximation of convective terms and central differences for an approximation of diffusive terms. The difference motion and energy equations have been solved using iterative method of alternating directions. Definition of the pressure field associated with velocity field has been performed using SIMPLE procedure.

Using transformed variables and finite difference method for the considered boundary-value problem we applied monotonic Samarsky scheme for convective terms and central differences for diffusive terms. Parabolic equations have been solved using locally one-dimensional Samarsky scheme. Discretization of elliptic equations for vector potential functions has been conducted using symmetric approximation of the second-order derivatives. Obtained difference equation has been solved by successive over-relaxation method. Optimal value of the relaxation parameter has been found on the basis of computational experiments.

As a result we have found the similar distributions of velocity and temperature in the case of these two approaches for different values of Rayleigh number, that illustrates an operability of the used techniques. The efficiency of transformed variables with finite difference method for unsteady problems has been shown.

A new type of cosmological models for the Universe that has no Beginning and evolves from the infinitely distant past is considered.

These models are alternative to the cosmological models based on the Big Bang theory according to which the Universe has a finite age and was formed from an initial singularity.

In our opinion, there are certain problems in the Big Bang theory that our cosmological models do not have.

In our cosmological models, the Universe evolves by compression from the infinitely distant past tending a finite minimum of distances between objects of the order of the Compton wavelength $\lambda_C$ of hadrons and the maximum density of matter corresponding to the hadron era of the Universe. Then it expands progressing through all the stages of evolution established by astronomical observations up to the era of inflation.

The material basis that sets the fundamental nature of the evolution of the Universe in the our cosmological models is a nonlinear Dirac spinor field $\psi(x^k)$ with nonlinearity in the Lagrangian of the field of type $\beta(\bar{\psi}\psi)^n$ ($\beta = const$, $n$ is a rational number), where $\psi(x^k)$ is the 4-component Dirac spinor, and $\psi$ is the conjugate spinor.

In addition to the spinor field $\psi$ in cosmological models, we have other components of matter in the form of an ideal liquid with the equation of state $p = w\varepsilon$ $(w = const)$ at different values of the coefficient $w (−1 < w < 1)$. Additional components affect the evolution of the Universe and all stages of evolution occur in accordance with established observation data. Here $p$ is the pressure, $\varepsilon = \rho c^2$ is the energy density, $\rho$ is the mass density, and $c$ is the speed of light in a vacuum.

We have shown that cosmological models with a nonlinear spinor field with a nonlinearity coefficient $n = 2$ are the closest to reality.

In this case, the nonlinear spinor field is described by the Dirac equation with cubic nonlinearity.

But this is the Ivanenko–Heisenberg nonlinear spinor equation which W.Heisenberg used to construct a unified spinor theory of matter.

It is an amazing coincidence that the same nonlinear spinor equation can be the basis for constructing a theory of two different fundamental objects of nature — the evolving Universe and physical matter.

The developments of the cosmological models are supplemented by their computer researches the results of which are presented graphically in the work.

A vector-matrix approach to the theoretical design of metabolic pathways converting chemical compounds, viz., preset substrates, into desirable products is described. It is a mathematical basis for computer–aided generation of alternative biochemical reaction sets executing the given substrate–product conversion. The pathways are retrieved from the used database of biochemical reactions and utilize the reaction stoichiometry and restrictions based on the irreversibility of a part of them. Particular attention is paid to the analysis of restriction interrelations. It is shown that the number of restrictions can be notably reduced due to the existence of families of parallel restricting planes in the space of reaction flows. Coinciding planes of contradirectional restrictions result in the existence of fixed reaction flow values. The problem of exclusion of so called futile cycles is also considered. Utilization of these factors allows essential lowering of the problem complexity and necessary computational resources. An example of alternative biochemical pathway computation for conversion of glucose and glycerol into succinic acid is given. It is found that for a preset “substrate–product” pair many pathways have the same high-energy bond balance.

The development of structured molecular systems based on a nucleic acid framework takes into account the ability of single-stranded DNA to form a stable double-stranded structure due to stacking interactions and hydrogen bonds of complementary pairs of nucleotides. To increase the stability of the DNA double helix and to expand the temperature range in the hybridization protocols, it was proposed to use more stable metal-mediated complexes of nucleotide pairs as an alternative to Watson-Crick hydrogen bonds. One of the most frequently considered options is the use of silver ions to stabilize a pair of cytosines from opposite DNA strands. Silver ions specifically bind to N3 cytosines along the helix axis to form, as is believed, a strong N3–Ag⁺–N3 bond, relative to which, two rotational isomers, the cis- and trans-configurations of C–Ag⁺–C can be formed. In present work, a theoretical study and a comparative analysis of the free energy profile of the dissociation of two С–Ag⁺–C isomers were carried out using the combined method of molecular mechanics and quantum chemistry (QM/MM). As a result, it was shown that the cis-configuration is more favorable in energy than the trans- for a single pair of cytosines, and the geometry of the global minimum at free energy profile for both isomers differs from the equilibrium geometries obtained previously by quantum chemistry methods. Apparently, the silver ion stabilization model of the DNA duplex should take into account not only the direct binding of silver ions to cytosines, but also the presence of related factors, such as stacking interaction in extended DNA, interplanar hydrogen bonds, and metallophilic interaction of neighboring silver ions.

Optimal management of fuel supply system boils down to choosing an energy development strategy which provides consumers with the most efficient and reliable fuel and energy supply. As a part of the program on switching the heat supply distributed management system of the Udmurt Republic to renewable energy sources, an “Information-analytical system of regional alternative fuel supply management” was developed. The paper presents the mathematical model of optimal management of fuel supply logistic system consisting of three interconnected levels: raw material accumulation points, fuel preparation points and fuel consumption points, which are heat sources. In order to increase effective the performance of regional fuel supply system a modification of information-analytical system and extension of its set of functions using the methods of quick responding when emergency occurs are required. Emergencies which occur on any one of these levels demand the management of the whole system to reconfigure. The paper demonstrates models and algorithms of optimal management in case of emergency involving break down of such production links of logistic system as raw material accumulation points and fuel preparation points. In mathematical models, the target criterion is minimization of costs associated with the functioning of logistic system in case of emergency. The implementation of the developed algorithms is based on the usage of genetic optimization algorithms, which made it possible to obtain a more accurate solution in less time. The developed models and algorithms are integrated into the information-analytical system that enables to provide effective management of alternative fuel supply of the Udmurt Republic in case of emergency.