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The numerical methods developed by the author recently for calculating the molecular system based on the direct solution of the Schrodinger equation by the Monte Carlo method have shown a huge uncertainty in the choice of solutions. On the one hand, it turned out to be possible to build many new solutions; on the other hand, the problem of their connection with reality has become sharply aggravated. In ab initio quantum mechanical calculations, the problem of choosing solutions is not so acute after the transition to the classical format of describing a molecular system in terms of potential energy, the method of molecular dynamics, etc. In this paper, we investigate the problem of choosing solutions in the classical format of describing a molecular system without taking into account quantum mechanical prerequisites. As it turned out, the problem of choosing solutions in the classical format of describing a molecular system is reduced to a specific marking of the configuration space in the form of a set of stationary points and reconstruction of the corresponding potential energy function. In this formulation, the solution of the choice problem is reduced to two possible physical and mathematical problems: to find all its stationary points for a given potential energy function (the direct problem of the choice problem), to reconstruct the potential energy function for a given set of stationary points (the inverse problem of the choice problem). In this paper, using a computational experiment, the direct problem of the choice problem is discussed using the example of a description of a monoatomic cluster. The number and shape of the locally equilibrium (saddle) configurations of the binary potential are numerically estimated. An appropriate measure is introduced to distinguish configurations in space. The format of constructing the entire chain of multiparticle contributions to the potential energy function is proposed: binary, threeparticle, etc., multiparticle potential of maximum partiality. An infinite number of locally equilibrium (saddle) configurations for the maximum multiparticle potential is discussed and illustrated. A method of variation of the number of stationary points by combining multiparticle contributions to the potential energy function is proposed. The results of the work listed above are aimed at reducing the huge arbitrariness of the choice of the form of potential that is currently taking place. Reducing the arbitrariness of choice is expressed in the fact that the available knowledge about the set of a very specific set of stationary points is consistent with the corresponding form of the potential energy function.

A spatially distributed mathematical model is proposed for the evolution of five myocardial tissue states — healthy myocardium, inflammatory infiltrate, necrosis, replacement fibrosis, and interstitial fibrosis — in the form of a multicomponent parabolic reaction – diffusion system. At each spatial point the tissue state is described by a vector of Dirichlet concentration parameters, which allows one to encode both the expected tissue composition and the uncertainty of classification associated with transition zones of damage. For a truncated system that coincides with the original one inside an invariant region, local Lipschitz continuity and quasi-positivity of the extended reaction operator are established. Global existence of a weak solution, non-negativity, an explicit a priori upper bound, and a quantitative exponential lower bound are proved. These results imply invariance of the admissible region and hence existence of a global weak solution to the original model. Uniqueness is established in a strengthened class of solutions characterized by additional gradient regularity. For an auxiliary reversible transition matrix, a formal entropy balance is derived for smooth positive solutions; for the clinically motivated irreversible transition matrix, a modal spectral stability condition is formulated for the linearized problem. On the numerical side, a positivity condition is derived for the reaction substep of a splitting scheme relative to an adaptive upper trajectory bound, and numerical experiments are conducted for a reproducible calibrated computational variant. In the one-dimensional scenario, by day $60$ the replacement-fibrosis fraction at the lesion center increases from $0.091$ to $0.855$, while the total concentration parameter $\alpha_0$ rises from $11.0$ to $15.9$; in the two-dimensional scenario, on day $14$ the mean value of $\overline p_4^{}$ is $0.431$ in the lesion core versus $0.097$ in the healthy region. These results confirm the mathematical well-posedness of the proposed model and its applicability for the quantitative description of post-infarction scar formation and heterogeneous transition zones.

In the article, a quasi-periodic two-component dynamical model with possibility of defining the cardio-cycle morphology, that provides the model with an ability of generating a temporal and a spectral cardiosignal characteristics, including heart rate variability is described. A technique for determining the cardio-cycle morphology to provide realistic cardio-signal form is defined. A method for defining cardio-signal dynamical system by the way of determining a three-dimensional state space and equations which describe a trajectory of point’s motion in this space is presented. A technique for solving equations of motion in the three-dimensional state space of dynamical cardio-signal system using the fourth-order Runge–Kutta method is presented. Based on this model, algorithm and software package are developed. Using software package, a cardio-signal synthesis experiment is conducted and the relationship of cardio-signal diagnostic features is analyzed.

This article presents an integrated dynamic model of eco-economic system of the Republic of Armenia (RA). This model is constructed using system dynamics methods, which allow to consider the major feedback related to key characteristics of eco-economic system. Such model is a two-objective optimization problem where as target functions the level of air pollution and gross profit of national economy are considered. The air pollution is minimized due to modernization of stationary and mobile sources of pollution at simultaneous maximization of gross profit of national economy. At the same time considered eco-economic system is characterized by the presence of internal constraints that must be accounted at acceptance of strategic decisions. As a result, we proposed a systematic approach that allows forming sustainable solutions for the development of the production sector of RA while minimizing the impact on the environment. With the proposed approach, in particular, we can form a plan for optimal enterprise modernization and predict long-term dynamics of harmful emissions into the atmosphere.

Recently many investigations have been devoted to theoretical models in new areas concerning description of different biological, sociological and historical processes. In the present paper we investigate the nazi Germany invasion in Poland, France and USSR from the kinetic theory point of view. We model this process with the Cauchy boundary problem for the two-element kinetic equations with spatial uniform initial conditions. The solution of the problem is given in the form of the traveling wave and the propagation velocity of a frontline depends on the quotient between initial forces concentrations. Moreover it is obtained that the general solution of the model can be obtained in terms of the quadratures and elementary functions. Finally it is shown that the frontline velocities are complied with the historical data.

In the paper the research of the energy and load-stroke parameters of the hemispherical flange forming on the horizontal forging machines has been presented. The Final Element Analysis andUpper Bound Method have been used. On the background of the research the methodic of the load-stroke determination of the hemi-spherical flange upset.

The paper simulated the spread of certain ideas in a professional virtual group. We consider the propagation of excitation in an inhomogeneous excitable medium of high connectivity. It is assumed that the network elements form a complete graph. Parameters of the elements are normally distributed. The simulation showed that interest in the idea can fade or fluctuate depending on the settings in the virtual group. The presence of a permanent excited element with relatively high activity leads to chaos — the fraction of members of the community actively interested in an idea varies irregularly.

A crucial component of distributed computing systems is network infrastructure. While networking forms the backbone of such systems, it is often the invisible partner to storage and computing resources. We propose to integrate Network Elements directly into distributed systems through the workload management layer. There are many reasons for this approach. As the complexity and demand for distributed systems grow, it is important to use existing infrastructure efficiently. For example, one could use network performance measurements in the decision making mechanisms of workload management systems. New advanced technologies allow one to programmatically define network configuration, for example SDN — Software Defined Networks. We will describe how these methods are being used within the PanDA workload management system of the ATLAS collaboration.

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.

Heart rate (HR) is the most affordable indicator for measuring. In order to control the individual response to physical exercises of different load types heart rate is measured when the athletes perform different types of muscular work (strength machines, various types of training and competitive exercises). The magnitude of heart rate and its dynamics during muscular work and recovery can be objectively judged on the functional status of the cardiovascular system of an athlete, the level of its individual physical performance, as well as an adaptive response to a particular exercise. However, the heart rate is not an independent determinant of the physical condition of an athlete. HR size is formed by the interaction of the basic physiological mechanisms underlying cardiac hemodynamic ejection mode. Heart rate depends on one hand, on contractility of the heart, the venous return, the volumes of the atria and ventricles of the heart and from vascular heart load, the main components of which are elastic and peripheral resistance of the arterial system on the other hand. The values of arterial system vascular resistances depend on the power of muscular work and its duration. HR sensitivity to changes in heart load and vascular contraction was determined in athletes by pair regression analysis simultaneously recorded heart rate data, and peripheral $(R)$ and elastic $(E_a)$ resistance (heart vascular load), and the power $(W)$ of heartbeats (cardiac contractility). The coefficients of sensitivity and pair correlation between heart rate indicators and vascular load and contractility of left ventricle of the heart were determined in athletes at rest and during the muscular work on the cycle ergometer. It is shown that increase in both ergometer power load and heart rate is accompanied by the increase of correlation coefficients and coefficients of the heart rate sensitivity to $R$, $E_a$ and $W$.