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The article deals with the nonlinear boundary-value problem of hydrogen permeability corresponding to the following experiment. A membrane made of the target structural material heated to a sufficiently high temperature serves as the partition in the vacuum chamber. Degassing is performed in advance. A constant pressure of gaseous (molecular) hydrogen is built up at the inlet side. The penetrating flux is determined by mass-spectrometry in the vacuum maintained at the outlet side.

A linear model of dependence on concentration is adopted for the coefficient of dissolved atomic hydrogen diffusion in the bulk. The temperature dependence conforms to the Arrhenius law. The surface processes of dissolution and sorptiondesorption are taken into account in the form of nonlinear dynamic boundary conditions (differential equations for the dynamics of surface concentrations of atomic hydrogen). The characteristic mathematical feature of the boundary-value problem is that concentration time derivatives are included both in the diffusion equation and in the boundary conditions with quadratic nonlinearity. In terms of the general theory of functional differential equations, this leads to the so-called neutral type equations and requires a more complex mathematical apparatus. An iterative computational algorithm of second-(higher- )order accuracy is suggested for solving the corresponding nonlinear boundary-value problem based on explicit-implicit difference schemes. To avoid solving the nonlinear system of equations at every time step, we apply the explicit component of difference scheme to slower sub-processes.

The results of numerical modeling are presented to confirm the fitness of the model to experimental data. The degrees of impact of variations in hydrogen permeability parameters (“derivatives”) on the penetrating flux and the concentration distribution of H atoms through the sample thickness are determined. This knowledge is important, in particular, when designing protective structures against hydrogen embrittlement or membrane technologies for producing high-purity hydrogen. The computational algorithm enables using the model in the analysis of extreme regimes for structural materials (pressure drops, high temperatures, unsteady heating), identifying the limiting factors under specific operating conditions, and saving on costly experiments (especially in deuterium-tritium investigations).

In the last decade along with classical cytotoxic agents, antiangiogenic drugs have been actively used in cancer chemotherapy. They are not aimed at killing malignant cells, but at blocking the process of angiogenesis, i.e., the growth of new vessels in the tumor and its surrounding tissues. Agents that stimulate angiogenesis, in particular, vascular endothelial growth factor, are actively produced by tumor cells in the state of metabolic stress. It is believed that blocking of tumor neovascularization should lead to a shortage of nutrients flow to the tumor, and thus can stop, or at least significantly slow down its growth. Clinical practice on the use of first antiangiogenic drug bevacizumab has shown that in some cases such therapy does not influence the growth rate of the tumor, whereas for other types of malignant neoplasms antiangiogenic therapy has a high antitumor effect. However, it has been shown that along with successful slowing of tumor growth, therapy with bevacizumab can induce directed tumor progression to a more invasive, and therefore more lethal, type. These data require theoretical analysis and rationale for the evolutionary factors that lead to the observation of epithelial-mesenchymal transition. For this purpose we have developed a spatially distributed mathematical model of growth and antiangiogenic therapy of heterogeneous tumor consisting of two subpopulations of malignant cells. One of subpopulations possesses inherent characteristics of epithelial phenotype, i.e., low motility and high proliferation rate, the other one corresponds to mesenchymal phenotype having high motility and low proliferation rate. We have performed the investigation of competition between these subpopulations of heterogeneous tumor in the cases of tumor growth without therapy and under bevacizumab monotherapy. It is shown that constant use of antiangiogenic drug leads to an increase of the region in parameter space, where the dominance of mesenchymal phenotype takes place, i.e., within a certain range of parameters in the absence of therapy epithelial phenotype is dominant but during bevacizumab administration mesenchymal phenotype begins to dominate. This result provides a theoretical basis of the clinically observed directed tumor progression to more invasive type under antiangiogenic therapy.

The article shows the relevance of research work in the field of creating control systems for unmanned vehicles based on computer vision technologies. Computer vision tools are used to solve a large number of different tasks, including to determine the location of the car, detect obstacles, determine a suitable parking space. These tasks are resource intensive and have to be performed in real time. Therefore, it is important to develop effective models, methods and tools that ensure the achievement of the required time and accuracy for use in unmanned vehicle control systems. In this case, the choice of the image representation model is important. In this paper, we consider a model based on the wavelet transform, which makes it possible to form features characterizing the energy estimates of the image points and reflecting their significance from the point of view of the contribution to the overall image energy. To form a model of energy characteristics, a procedure is performed based on taking into account the dependencies between the wavelet coefficients of various levels and the application of heuristic adjustment factors for strengthening or weakening the influence of boundary and interior points. On the basis of the proposed model, it is possible to construct descriptions of images their characteristic features for isolating and analyzing, including for isolating contours, regions, and singular points. The effectiveness of the proposed approach to image analysis is due to the fact that the objects in question, such as road signs, road markings or car numbers that need to be detected and identified, are characterized by the relevant features. In addition, the use of wavelet transforms allows to perform the same basic operations to solve a set of tasks in onboard unmanned vehicle systems, including for tasks of primary processing, segmentation, description, recognition and compression of images. The such unified approach application will allow to reduce the time for performing all procedures and to reduce the requirements for computing resources of the on-board system of an unmanned vehicle.

The functioning of DNA regulatory regions rely primarily on their physicochemical and structural properties but not on nucleotide sequences, i.e. ‘genetic text’. The formers are responsible for coding of DNA-protein interactions that govern various regulatory events. One of the characteristics is SIDD (Stress-Induced Duplex Destabilization) that quantify DNA duplex region propensity to melt under the imposed superhelical stress. The duplex property has been shown to participate in activity of various regulatory regions. Here we employ the SIDD model to calculate melting probability profiles for T7 bacteriophage promoter sequences. The genome is characterized by small size (approximately 40 thousand nucleotides) and temporal organization of expression: at the first stage of infection early T7 DNA region is transcribed by the host cell RNA polymerase, later on in life cycle phage-specific RNA polymerase performs transcription of class II and class III genes regions. Differential recognition of a particular group of promoters by the enzyme cannot be solely explained by their nucleotide sequences, because of, among other reasons, it is fairly similar among most the promoters. At the same time SIDD profiles obtained vary significantly and are clearly separated into groups corresponding to functional promoter classes of T7 DNA. For example, early promoters are affected by the same maximally destabilized DNA duplex region located at the varying region of a particular promoter. class II promoters lack substantially destabilized regions close to transcription start sites. Class III promoters, in contrast, demonstrate characteristic melting probability maxima located in the near-downstream region in all cases. Therefore, the apparent differences among the promoter groups with exceptional textual similarity (class II and class III differ by only few singular substitutions) were established. This confirms the major impact of DNA primary structure on the duplex parameter as well as a need for a broad genetic context consideration. The differences in melting probability profiles obtained using SIDD model alongside with other DNA physicochemical properties appears to be involved in differential promoter recognition by RNA polymerases.

Theoretical and experimental investigations of water vapor interaction with porous materials are carried out both at the macro level and at the micro level. At the macro level, the influence of the arrangement structure of individual pores on the processes of water vapor interaction with porous material as a continuous medium is studied. At the micro level, it is very interesting to investigate the dependence of the characteristics of the water vapor interaction with porous media on the geometry and dimensions of the individual pore.

In this paper, a study was carried out by means of mathematical modelling of the processes of water vapor interaction with suffering pore of the cylindrical type. The calculations were performed using a model of a hybrid type combining a molecular-dynamic and a macro-diffusion approach for describing water vapor interaction with an individual pore. The processes of evolution to the state of thermodynamic equilibrium of macroscopic characteristics of the system such as temperature, density, and pressure, depending on external conditions with respect to pore, were explored. The dependence of the evolution parameters on the distribution of the diffusion coefficient in the pore, obtained as a result of molecular dynamics modelling, is examined. The relevance of these studies is due to the fact that all methods and programs used for the modelling of the moisture and heat conductivity are based on the use of transport equations in a porous material as a continuous medium with known values of the transport coefficients, which are usually obtained experimentally.

Automatic recognition of personal identity by biometric features is based on unique peculiarities or characteristics of people. Biometric identification process consist in making of reference templates and comparison with new input data. Iris pattern recognition algorithms presents high accuracy and low identification errors percent on practice. Iris pattern advantages over other biometric features are determined by its high degree of freedom (nearly 249), excessive density of unique features and constancy. High recognition reliability level is very important because it provides search in big databases. Unlike one-to-one check mode that is applicable only to small calculation count it allows to work in one-to-many identification mode. Every biometric identification system appears to be probabilistic and qualitative characteristics description utilizes such parameters as: recognition accuracy, false acceptance rate and false rejection rate. These characteristics allows to compare identity recognition methods and asses the system performance under any circumstances. This article explains the mathematical model of iris pattern biometric identification and its characteristics. Besides, there are analyzed results of comparison of model and real recognition process. To make such analysis there was carried out the review of existing iris pattern recognition methods based on different unique features vector. The Python-based software package is described below. It builds-up probabilistic distributions and generates large test data sets. Such data sets can be also used to educate the identification decision making neural network. Furthermore, synergy algorithm of several iris pattern identification methods was suggested to increase qualitative characteristics of system in comparison with the use of each method separately.

Transport of respiratory gases by respiratory and circulatory systems is one of the most important processes associated with living conditions of the human body. Significant and/or long-term deviations of oxygen and carbon dioxide concentrations from the normal values in blood can be a reason of significant pathological changes with irreversible consequences: lack of oxygen (hypoxia and ischemic events), the change in the acidbase balance of blood (acidosis or alkalosis), and others. In the context of a changing external environment and internal conditions of the body the action of its regulatory systems aimed at maintaining homeostasis. One of the major mechanisms for maintaining concentrations (partial pressures) of oxygen and carbon dioxide in the blood at a normal level is the regulation of minute ventilation, respiratory rate and depth of respiration, which is caused by the activity of the central and peripheral regulators.

In this paper we propose a mathematical model of the regulation of pulmonary ventilation parameter. The model is used to calculate the minute ventilation adaptation during hypoxia and hypercapnia. The model is developed using a single-component model of the lungs, and biochemical equilibrium conditions of oxygen and carbon dioxide in the blood and the alveolar lung volume. A comparison with laboratory data is performed during hypoxia and hypercapnia. Analysis of the results shows that the model reproduces the dynamics of minute ventilation during hypercapnia with sufficient accuracy. Another result is that more accurate model of regulation of minute ventilation during hypoxia should be developed. The factors preventing from satisfactory accuracy are analysed in the final section.

Respiratory function is one of the main limiting factors of the organism during intense physical activities. Thus, it is important characteristic of high performance sport and extreme physical activity conditions. Therefore, the results of this study have significant application value in the field of mathematical modeling in sport. The considered conditions of hypoxia and hypercapnia are partly reproduce training at high altitude and at hypoxia conditions. The purpose of these conditions is to increase the level of hemoglobin in the blood of highly qualified athletes. These conditions are the only admitted by sport committees.

The paper presents a physical and numerical analysis of the dynamics and radiation of explosion products formed during the Russian-American experiment in the ionosphere using an explosive generator based on hexogen (RDX) and trinitrotoluene (TNT). The main attention is paid to the radiation of the perturbed region and the dynamics of the products of explosion (PE). The detailed chemical composition of the explosion products is analyzed and the initial concentrations of the most important molecules capable of emitting in the infrared range of the spectrum are determined, and their radiative constants are given. The initial temperature of the explosion products and the adiabatic exponent are determined. The nature of the interpenetration of atoms and molecules of a highly rarefied ionosphere into a spherically expanding cloud of products is analyzed. An approximate mathematical model of the dynamics of explosion products under conditions of mixing rarefied ionospheric air with them has been developed and the main thermodynamic characteristics of the system have been calculated. It is shown that for a time of 0,3–3 sec there is a significant increase in the temperature of the scattering mixture as a result of its deceleration. In the problem under consideration the explosion products and the background gas are separated by a contact boundary. To solve this two-region gas dynamic problem a numerical algorithm based on the Lagrangian approach was developed. It was necessary to fulfill special conditions at the contact boundary during its movement in a stationary gas. In this case there are certain difficulties in describing the parameters of the explosion products near the contact boundary which is associated with a large difference in the size of the mass cells of the explosion products and the background due to a density difference of 13 orders of magnitude. To reduce the calculation time of this problem an irregular calculation grid was used in the area of explosion products. Calculations were performed with different adiabatic exponents. The most important result is temperature. It is in good agreement with the results obtained by the method that approximately takes into account interpenetration. The time behavior of the IR emission coefficients of active molecules in a wide range of the spectrum is obtained. This behavior is qualitatively consistent with experiments for the IR glow of flying explosion products.

Instrument of numerical-analytical modeling of characteristics of propagation of electromagnetic waves in chaotic space plasma with taking into account effects of gravitation is developed for interpretation of data of measurements of astrophysical precision instruments of new education. The task of propagation of waves in curved (Riemann’s) space is solved in Euclid’s space by introducing of the effective index of refraction of vacuum. The gravitational potential can be calculated for various model of distribution of mass of astrophysical objects and at solution of Poisson’s equation. As a result the effective index of refraction of vacuum can be evaluated. Approximate model of the effective index of refraction is suggested with condition that various objects additively contribute in total gravitational field. Calculation of the characteristics of electromagnetic waves in the gravitational field of astrophysical objects is performed by the approximation of geometrical optics with condition that spatial scales of index of refraction a lot more wavelength. Light differential equations in Euler’s form are formed the basis of numerical-analytical instrument of modeling of trajectory characteristic of waves. Chaotic inhomogeneities of space plasma are introduced by model of spatial correlation function of index of refraction. Calculations of refraction scattering of waves are performed by the approximation of geometrical optics. Integral equations for statistic moments of lateral deviations of beams in picture plane of observer are obtained. Integrals for moments are reduced to system of ordinary differential equations the firsts order with using analytical transformations for cooperative numerical calculation of arrange and meansquare deviations of light. Results of numerical-analytical modeling of trajectory picture of propagation of electromagnetic waves in interstellar space with taking into account impact of gravitational fields of space objects and refractive scattering of waves on inhomogeneities of index of refraction of surrounding plasma are shown. Based on the results of modeling quantitative estimation of conditions of stochastic blurring of the effect of gravitational lensing of electromagnetic waves at various frequency ranges is performed. It’s shown that operating frequencies of meter range of wavelengths represent conditional low-frequency limit for observational of the effect of gravitational lensing in stochastic space plasma. The offered instrument of numerical-analytical modeling can be used for analyze of structure of electromagnetic radiation of quasar propagating through group of galactic.

A hybrid cluster implies the use of computational devices with radically different architectures. Usually, these are conventional CPU architecture (e.g. x86_64) and GPU architecture (e. g. NVIDIA CUDA). Creating and exploiting such a cluster requires some experience: in order to harness all computational power of the described system and get substantial speedup for computational tasks many factors should be taken into account. These factors consist of hardware characteristics (e.g. network infrastructure, a type of data storage, GPU architecture) as well as software stack (e.g. MPI implementation, GPGPU libraries). So, in order to run scientific applications GPU capabilities, software features, task size and other factors should be considered.

This report discusses opportunities and problems of hybrid computations. Some statistics from tests programs and applications runs will be demonstrated. The main focus of interest is open source applications (e. g. OpenFOAM) that support GPGPU (with some parts rewritten to use GPGPU directly or by replacing libraries).

There are several approaches to organize heterogeneous computations for different GPU architectures out of which CUDA library and OpenCL framework are compared. CUDA library is becoming quite typical for hybrid systems with NVIDIA cards, but OpenCL offers portability opportunities which can be a determinant factor when choosing framework for development. We also put emphasis on multi-GPU systems that are often used to build hybrid clusters. Calculations were performed on a hybrid cluster of SPbU computing center.