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Superplastic forming of Ni and Ti based alloys is widely used in aerospace industry. The main advantage of using the effect of superplasticity in sheet metal forming processes is a feasibility of forming materials with a high amount of plastic strain in conditions of prevailing tensile stresses. This article is dedicated to study commercial FEM software SFTC DEFORM application for prediction thickness deviation during low temperature superplastic forming of UFG Ti-6-4 alloy. Experimentally, thickness deviation during superplastic forming can be observed in the local area of plastic deformation and this process is aggravated by local softening of the metal and this is stipulated by microstructure coarsening. The theoretical model was prepared to analyze experimentally observed metal flow. Two approaches have been used for that. The first one is the using of integrated creep rheology model in DEFORM. As superplastic effect is observed only in materials with fine and ultrafine grain sizes the second approach is carried out using own user procedures for rheology model which is based on microstructure evolution equations. These equations have been implemented into DEFORM via Fortran user’s solver subroutines. Using of FEM simulation for this type of forming allows tracking a strain rate in different parts of a workpiece during a process, which is crucial for maintaining the superplastic conditions. Comparison of these approaches allows us to make conclusions about effect of microstructure evolution on metal flow during superplastic deformation. The results of the FEM analysis and theoretical conclusions have been approved by results of the conducted Erichsen test. The main issues of this study are as follows: a) the DEFORM software allows an engineer to predict formation of metal shape under the condition of low-temperature superplasticity; b) in order to augment the accuracy of the prediction of local deformations, the effect of the microstructure state of an alloy having sub-microcristalline structure should be taken into account in the course of calculations in the DEFORM software.

This work is devoted to the analysis of conformational changes in tubulin dimers and tetramers, in particular, the assessment of the bending of microtubule protofilaments. Three recently exploited approaches for estimating the bend of tubulin protofilaments are reviewed: (1) measurement of the angle between the vector passing through the H7 helices in $\alpha$ and $\beta$ tubulin monomers in the straight structure and the same vector in the curved structure of tubulin; (2) measurement of the angle between the vector, connecting the centers of mass of the subunit and the associated GTP nucleotide, and the vector, connecting the centers of mass of the same nucleotide and the adjacent tubulin subunit; (3) measurement of the three rotation angles of the bent tubulin subunit relative to the straight subunit. Quantitative estimates of the angles calculated at the intra- and inter-dimer interfaces of tubulin in published crystal structures, calculated in accordance with the three metrics, are presented. Intra-dimer angles of tubulin in one structure, measured by the method (3), as well as measurements by this method of the intra-dimer angles in different structures, were more similar, which indicates a lower sensitivity of the method to local changes in tubulin conformation and characterizes the method as more robust. Measuring the angle of curvature between H7-helices (method 1) produces somewhat underestimated values of the curvature per dimer. Method (2), while at first glance generating the bending angle values, consistent the with estimates of curved protofilaments from cryoelectron microscopy, significantly overestimates the angles in the straight structures. For the structures of tubulin tetramers in complex with the stathmin protein, the bending angles calculated with all three metrics varied quite significantly for the first and second dimers (up to 20% or more), which indicates the sensitivity of all metrics to slight variations in the conformation of tubulin dimers within these complexes. A detailed description of the procedures for measuring the bending of tubulin protofilaments, as well as identifying the advantages and disadvantages of various metrics, will increase the reproducibility and clarity of the analysis of tubulin structures in the future, as well as it will hopefully make it easier to compare the results obtained by various scientific groups.

In general, solving the information explosion problem can be delegated to systems for automatic processing of digital data. These systems are intended for recognizing, sorting, meaningfully processing and presenting data in formats readable and interpretable by humans. The creation of intelligent knowledge extraction systems that handle unstructured data would be a natural solution in this area. At the same time, the evident progress in these tasks for structured data contrasts with the limited success of unstructured data processing, and, in particular, document processing. Currently, this research area is undergoing active development and investigation. The present paper is a systematic survey on both Russian and international publications that are dedicated to the leading trend in automatic text data processing: Text Mining (TM). We cover the main tasks and notions of TM, as well as its place in the current AI landscape. Furthermore, we analyze the complications that arise during the processing of texts written in natural language (NLP) which are weakly structured and often provide ambiguous linguistic information. We describe the stages of text data preparation, cleaning, and selecting features which, alongside the data obtained via morphological, syntactic, and semantic analysis, constitute the input for the TM process. This process can be represented as mapping a set of text documents to «knowledge». Using the case of stock trading, we demonstrate the formalization of the problem of making a trade decision based on a set of analytical recommendations. Examples of such mappings are methods of Information Retrieval (IR), text summarization, sentiment analysis, document classification and clustering, etc. The common point of all tasks and techniques of TM is the selection of word forms and their derivatives used to recognize content in NL symbol sequences. Considering IR as an example, we examine classic types of search, such as searching for word forms, phrases, patterns and concepts. Additionally, we consider the augmentation of patterns with syntactic and semantic information. Next, we provide a general description of all NLP instruments: morphological, syntactic, semantic and pragmatic analysis. Finally, we end the paper with a comparative analysis of modern TM tools which can be helpful for selecting a suitable TM platform based on the user’s needs and skills.

Numerical simulation of hull flow, marine propellers and other basic problems of ship hydrodynamics using Cartesian adaptive locally-refined grids is advantageous with respect to numerical setup and makes an express analysis very convenient. However, when more accurate viscous phenomena are needed, they condition some problems including a sharp increase of cell number due to high levels of main grid adaptation needed to resolve boundary layers and time step decrease in simulations with a free surface due to decrease of transit time in adapted cells. To avoid those disadvantages, additional boundary layer grids are suggested for resolution of boundary layers. The boundary layer grids are one-dimensional adaptations of main grid layers nearest to a wall, which are built along a normal direction. The boundary layer grids are additional (or chimerical), their volumes are not subtracted from main grid volumes. Governing equations of flow are integrated in both grids simultaneously, and the solutions are merged according to a special algorithm. In simulations of ship hull flow boundary layer grids are able to provide sufficient conditions for low-Reynolds turbulence models and significantly improve flow structure in continues boundary layers along smooth surfaces. When there are flow separations or other complex phenomena on a hull surface, it can be subdivided into regions, and the boundary layer grids should be applied to the regions with simple flow only. This still provides a drastic decrease of computational efforts. In simulations of marine propellers, the boundary layer grids are able to provide refuse of wall functions on blade surfaces, what leads to significantly more accurate hydrodynamic forces. Altering number and configuration of boundary grid layers, it is possible to vary a boundary layer resolution without change of a main grid. This makes the boundary layer grids a suitable tool to investigate scale effects in both problems considered.

A mathematical model of tumor growth in tissue taking into account angiogenesis and antiangiogenic therapy is developed. In the model the convective flows in tissue are considered as well as individual motility of tumor cells. It is considered that a cell starts to migrate if the nutrient concentration falls lower than the critical level and returns into proliferation in the region with high nutrient concentration. Malignant cells in the state of metabolic stress produce vascular endothelial growth factor (VEGF), stimulating tumor angiogenesis, which increases the nutrient supply. In this work an antiangiogenic drug which bounds irreversibly to VEGF, converting it to inactive form, is modeled. Numerical analysis of influence of antiangiogenic drug concentration and efficiency on tumor rate of growth and structure is performed. It is shown that antiangiogenic therapy can decrease the growth of low-invasive tumor, but is not able to stop it completely.

The article dwells upon investigating the issue of the most adequate tools developing and justifying to forecast the interregional migration flows value and structure. Migration processes have a significant impact on the size and demographic structure of the population of territories, the state and balance of regional and local labor markets.

To analyze the migration processes and to assess their impact an economic-mathematical tool is required which would be instrumental in modelling the migration processes and flows for different areas with the desired precision. The current methods and approaches to the migration processes modelling, including the analysis of their advantages and disadvantages, were considered. It is noted that to implement many of these methods mass aggregated statistical data is required which is not always available and doesn’t characterize the migrants behavior at the local level where the decision to move to a new dwelling place is made. This has a significant impact on the ability to apply appropriate migration processes modelling techniques and on the projection accuracy of the migration flows magnitude and structure.

The cellular automata model for interregional migration flows modelling, implementing the integration of the households migration behavior model under the conditions of the Bounded Rationality into the general model of the area migration flow was developed and tested based on the Primorye Territory data. To implement the households migration behavior model under the conditions of the Bounded Rationality the integral attractiveness index of the regions with economic, social and ecological components was proposed in the work.

To evaluate the prognostic capacity of the developed model, it was compared with the available cellular automata models used to predict interregional migration flows. The out of sample prediction method which showed statistically significant superiority of the proposed model was applied for this purpose. The model allows obtaining the forecasts and quantitative characteristics of the areas migration flows based on the households real migration behaviour at the local level taking into consideration their living conditions and behavioural motives.

The technology of creating patterns from natural language words (concepts) based on text data in the bag of words model is considered. Patterns are used to reduce the dimension of the original space in the description of documents and search for semantically related words by topic. The process of dimensionality reduction is implemented through the formation of patterns of latent features. The variety of structures of document relations is investigated in order to divide them into themes in the latent space.

It is considered that a given set of documents (objects) is divided into two non-overlapping classes, for the analysis of which it is necessary to use a common dictionary. The belonging of words to a common vocabulary is initially unknown. Class objects are considered as opposition to each other. Quantitative parameters of oppositionality are determined through the values of the stability of each feature and generalized assessments of objects according to non-overlapping sets of features.

To calculate the stability, the feature values are divided into non-intersecting intervals, the optimal boundaries of which are determined by a special criterion. The maximum stability is achieved under the condition that the boundaries of each interval contain values of one of the two classes.

The composition of features in sets (patterns of words) is formed from a sequence ordered by stability values. The process of formation of patterns and latent features based on them is implemented according to the rules of hierarchical agglomerative grouping.

A set of latent features is used for cluster analysis of documents using metric grouping algorithms. The analysis applies the coefficient of content authenticity based on the data on the belonging of documents to classes. The coefficient is a numerical characteristic of the dominance of class representatives in groups.

To divide documents into topics, it is proposed to use the union of groups in relation to their centers. As patterns for each topic, a sequence of words ordered by frequency of occurrence from a common dictionary is considered.

The results of a computational experiment on collections of abstracts of scientific dissertations are presented. Sequences of words from the general dictionary on 4 topics are formed.

The paper outlines the approaches to mathematical modeling correlation adaptometry techniques widely used in biology and medicine. The analysis is based on models employed in descriptions of structured biological systems. It is assumed that the distribution density of the biological population numbers satisfies the equation of Kolmogorov-Fokker-Planck. Using this technique evaluated the effectiveness of treatment of patients with obesity. All patients depending on the obesity degree and the comorbidity nature were divided into three groups. Shows a decrease in weight of the correlation graph computed from the measured in the patients of the indicators that characterizes the effectiveness of the treatment for all studied groups. This technique was also used to assess the intensity of the training loads in academic rowing three age groups. It was shown that with the highest voltage worked with athletes for youth group. Also, using the technique of correlation adaptometry evaluated the effectiveness of the treatment of hormone replacement therapy in women. All the patients depending on the assigned drug were divided into four groups. In the standard analysis of the dynamics of mean values of indicators, it was shown that in the course of the treatment were observed normalization of the averages for all groups of patients. However, using the technique of correlation adaptometry it was found that during the first six months the weight of the correlation graph was decreasing and during the second six months the weight increased for all study groups. This indicates the excessive length of the annual course of hormone replacement therapy and the practicality of transition to a semiannual rate.

Modern power transportation systems are the complex engineering systems. Such systems include both point facilities (power producers, consumers, transformer substations, etc.) and the distributed elements (f.e. power lines). Such structures are presented in the form of the graphs with different types of nodes under creating the mathematical models. It is necessary to solve the system of partial differential equations of the hyperbolic type to study the dynamic effects in such systems.

An approach similar to one already applied in modeling similar problems earlier used in the work. New variant of the splitting method was used proposed by the authors. Unlike most known works, the splitting is not carried out according to physical processes (energy transport without dissipation, separately dissipative processes). We used splitting to the transport equations with the drain and the exchange between Reimann’s invariants. This splitting makes possible to construct the hybrid schemes for Riemann invariants with a high order of approximation and minimal dissipation error. An example of constructing such a hybrid differential scheme is described for a single-phase power line. The difference scheme proposed is based on the analysis of the properties of the schemes in the space of insufficient coefficients.

Examples of the model problem numerical solutions using the proposed splitting and the difference scheme are given. The results of the numerical calculations shows that the difference scheme allows to reproduce the arising regions of large gradients. It is shown that the difference schemes also allow detecting resonances in such the systems.

The paper proposes a set of fairly simple analysis algorithms that can be used to analyze a wide range of protein-protein interactions. In this work, we jointly use the methods of Brownian and molecular dynamics to describe the process of formation of a complex of plastocyanin and cytochrome f proteins in higher plants. In the diffusion-collision complex, two clusters of structures were revealed, the transition between which is possible with the preservation of the position of the center of mass of the molecules and is accompanied only by a rotation of plastocyanin by 134 degrees. The first and second clusters of structures of collisional complexes differ in that in the first cluster with a positively charged region near the small domain of cytochrome f, only the “lower” plastocyanin region contacts, while in the second cluster, both negatively charged regions. The “upper” negatively charged region of plastocyanin in the first cluster is in contact with the amino acid residue of lysine K122. When the final complex is formed, the plastocyanin molecule rotates by 69 degrees around an axis passing through both areas of electrostatic contact. With this rotation, water is displaced from the regions located near the cofactors of the molecules and formed by hydrophobic amino acid residues. This leads to the appearance of hydrophobic contacts, a decrease in the distance between the cofactors to a distance of less than 1.5 nm, and further stabilization of the complex in a position suitable for electron transfer. Characteristics such as contact matrices, rotation axes during the transition between states, and graphs of changes in the number of contacts during the modeling process make it possible to determine the key amino acid residues involved in the formation of the complex and to reveal the physicochemical mechanisms underlying this process.