A special form of a quasiclassical approximation in non-relativistic and relativistic quantum mechanics is considered. It consists in the demand of classical interpretation for a natural time of the theory. As the consequence, in passing to quantum level, there arises the necessity of introduction of half-integer spin.

We investigated the quantum double well oscillator located between the two infinite walls. The main aim is to identify the temporal scales of wave packet oscillations and to study the tunneling mechanism in such system. It is shown that two fundamental temporal scales exist. These scales are related with the periods of oscillations in well and tunneling.

Dynamical tunneling of a quantum wave packet in the system with distributed potential and impenetrable walls is discussed. This potential is specified as algebraic difference of quadratic and cubed functions. It is limited on finite length and incorporates local minimum and maximum. Potential distribution in the vicinity of local minimum forms asymmetric well, and barrier originates into domain with maximum. Initial Gaussian wave packet is located into the potential minimum and tunneling comes through potential maximum. Numerical integration of Schrodinger equation was carried out at zero conditions on system walls. For high barrier, the wave packet oscillates in the well for a long time and its small portions passes through the barrier. If the barrier height is small, tunneling takes place in a short time interval. Expectation coordinate and field velocity, probability density at separate points as function of time, control of uncertainty relation and normalization condition were calculated in detail.

In this contribution we review the known solutions for three types of triatomic molecules (linear symmetric A B A , linear asymmetric A B C , bent symmetric A B A ), paying special attention for all intermediate analytical calculation which is usually absent in literature. The intermediate analytical calculation is of fundamental importance because it allows see what kind of assumption was done in the process of deriving a final result. Besides, it helps to gain a better insight into our analytical solution obtained for a linear symmetric tetra-atomic molecule A B B A , which we also submit in this paper. For this molecule we have calculated vibration frequencies of five normal vibrations.

In this contribution we report on the electronic theory of molecule vibrations. We have analyzed the main ideas and principles lying at the heart of mechanistic approach. It was shown that its accuracy is insufficient. To improve the accuracy, it is necessary to introduce the interaction of electron motion with vibrations of nuclei. It was done with the help of conception of binding and unshared electron pairs repelling each other. Although this conception has explained geometric structure of many molecules, it has a static nature. Transformation of this conception into equations of motion allowed us to assign a clear physical sense to elastic constants used in common theories as input parameters. It is shown that the elastic constant of deformation vibration is determined by the repulsion of bond-charges. In the framework of the theory developed, normal valence vibrations are not independent and connected with deformation vibrations. After applying the corrections one can improve significantly the accuracy of prediction and obtain a good agreement with experimental data. Electro-elastic parameters calculated for some molecules on the basis of the theory submitted are also given.

Carbon nanotubes are the basic element of modern nanoelectronic devices. One of the most promising their applications is a carbon nanotube based conducting channel in field-effect transistor with SiO₂ dielectric deposited on the nanotube. Simulation of SiO_x on CNT technology and some properties of that system were studied by means of molecular dynamics method. MM+ interatomic potential was used for calculations.

In recent years, the interaction of accelerated nanoclusters with surfaces has received increasing interest due to various existing or still anticipated practical applications of cluster beams. One of the fundamental questions is how the nonlinear spike effects (which normally happen during cluster implantation) can affect stopping power and, hence the range (penetration depth) of cluster atoms? In fact, there are two contradictory points of view. On one hand, some theoretical and experimental studies indicate significant enhancement of ranges of implanted cluster atoms with respect to implanted single-atomic ions at the same velocity (so-called "clearing-the-way effect" first described by P. Sigmund and V. Shulga). On the other hand, recent experiments of H.H. Andersen have shown that mean range of atoms of metallic clusters in copper with energy of 10 keV/atom is independent on cluster size, whereas significant enhancement of broadening of implantation profile takes place with increase of cluster size (so-called "within spike diffusion" effect). To extend these studies, in present work we carry out systematic computations of projected range distribution of atoms of Cu_N clusters (N=1, 6, 13, 55) implanted into Cu(111) at various energies per one incident atom -within (100. . . 1000) eV/atom. Simulation was done by means of classical Molecular Dynamics (MD) method. It was demonstrated that both mean projected range and range straggling (broadening) of cluster atoms exceeds those of monomer at the same velocity. At the same time, the effect of range enhancement with increase of cluster size is found to be disappeared with growth of energy per one incident atom. On the other hand, the effect of strong enhancement of range straggling with increase of cluster size is not so much energy-dependent. The possible mechanisms responsible on these effects are discussed.

Previously, molecular dynamic (MD) simulations of displacement cascades up to PKA energy of 40 keV using a recently developed EAM-type interatomic potential describing Fe-Fe interaction [1], have been performed. The formation of big flat vacancy clusters at relatively low simulation temperature (lOOK) was one of the interesting cascade features, which have been obtained using that potentiaL Here, the work is continued with the purpose of finding the mechanism responsible for vacancy clustering, since no such high rate of vacancy clustering was observed with other potentials [2]. In the present work the following mechanisms have been considered: formation of cluster during the relaxation stage (gathering during recombination), clustering caused by defect diffusion (the effect of local heating of the cascade region plays an important role) and the effect of molten core in case of formation of dense cascade. The results show that the formation of big vacancy clusters occurs directly within the collision spike which can lead to a presence of local melting of the material. After cooling of damaged region, initial clusters can grow due to the migration of neighboring isolated vacancies at the same time clusters become plan. Thermal stability study of obtained clusters showed that above 900K these objects do not keep their planar shape anymore and become spherical ones within very short period of time.

The aim of the paper is to present a quantitative physically based model for age-hardening behavior simulation of Al-Mg-Si alloys with major alloying elements content in practically interesting ranges 0.7wt. %< Si; Mg< 1.2 wt. %. Aging alloy microstructure evolution due to precipitate particles nucleation, growth and coarsening is described with the help of numerical approach based on classical nucleation-growth equations. Concurrent formation of two types of precipitate particles (Guinier-Preston zones and β"- phase particles) is taken into account. Calibration of the model was performed mainly on the basis of a broad experimental data on quenched alloys isothermal aging kinetics investigation by Young's modulus, yield stress and electrical resistance measurements. At the first step of model calibration self-consistent sets of physical parameters that control nucleation and growth processes for both types of precipitate particles (activation energies of diffusion, specific energies of particle-matrix interfaces, precipitate solvent temperatures and others) were obtained using experimental data on Young's modulus increment. Quantitative evaluation of these parameters was performed using original procedure specially developed for this purpose. At the second step additional parameters of age- hardening response sub-model were determined. At the final step the model parameters, which appeared to be dependant on chemical composition, are presented as simple empirical functions of the composition. The developed model is capable to predict with reasonable accuracy solution treated Al-Mg-Si alloys age-hardening behavior under simple isothermal and different multi-step (non-isothermal) aging treatments, including initial natural pre-aging of the material, in practically interesting range of the main alloying elements content.

In this paper we compare two different excitation schemes of rubidium gas-cell frequency standard. We provide the stability estimations for one-frequency and two-frequency pumping schemes. Our calculations show the significant improvement of stability in the case of two-frequency scheme. It concerned with the absence of 'pockets' ('trap' states) and therefore with more efficient population collection on one of the working sublevels for two-pumping scheme.

A simulator of X-ray images for local X-ray diffractometry is devised. Some typical X-ray images are illustrated. An included method for refinement of a crystallographic axis orientation is described.

The simultaneous analysis of 3D disperse systems (DS) with micro- and nano- particles by refractometry, absorbency, fluorescence and by different types of light scattering, can help to elaborate the sensing elements for specffic impurity control. Our research has investigated by complex of optical methods different 3D DS such as: proteins, nucleoproteids, lipoproteids, liposomes, viruses, virosomes, lipid emulsions, blood substitutes, latexes, liquid crystals, biological cells with various form and size (including bacterial cells), metallic powders, clays, kimberlites, zeolites, oils, crude oils, samples of natural and water-supply waters, etc. This experience suggests that each 3D DS can be charactensed by N-dimensional vector in N-dimensional space of optical parameters. Due to the fusion of various optical data it is possible to solve the inverse physical problem on the presence of impurity in mixtures of 3D DS by information statistical theory methods. It is important that in this case polymodality of particle size distribution is not an obstacle.

Aluminium-silicon alloy or silurnin fabricated by powder metallurgy is a material widely used in aircraft and precision mechanics industries because of homogeneous composition and high mechanical properties. Residual stresses arising in this kind of composite material caused by the difference of thermal expansion coefficients of components have negative influence on the working of Al-Si parts and equipments. X-ray diffraction method of stress measurements is unique method allowing study the individual stresses acting in each component of composite material. In the present paper the stress distribution and mechanical behavior of aluminum matrix and silicon particles have been studied by X-ray diffraction method. Interpretation of experiment stress measurements was made on position of mechanics of composite materials.

The work deals with the evaluation of surface geometry of a 50H-grade-steel-surface layer which was multiple melted using a laser. The surface roughness of the layer was analyzed as a function of the laser treatment parameters and the trajectory of beam motion. The experimental design method and the statistic program were also applied for functional description of the analyzed dependences. As results, an increase in the surface smoothness and microstructures responsible for high hardness were achieved due to appropriate combination of treatment parameters. The paper is illustrated with the surface-roughness-profile plots.

We consider an inhomogeneous elastic body. We suppose that it represents so called periodic composite. It means that the body is composed of many similar cells with dimensions a, b, c in the direction of coordinate ox, oy and oz respectively. We suppose that all cells have similar complex structure. At last we suppose that all cells have full contact with their neighbors, so that displacements and stresses are continuous on the bounds of cells. Bodies of this type, periodic composites, are the subject of investigations in many papers and books. We confine ourselves by noting only some of them. [1-5]. The transactions [6] are devoted to the advanced problems of periodic and nonperiodic composites, and contain great number of literature sources on the mechanics of composites. This paper is devoted to the new technology of analysis of periodic composites. This technology is based on using so called "basic solutions" for one cell and on application of linear combinations of these basic solutions for presentation of all variables of problem. We call these combinations by the name 'regular expansions.' For simplification of motivations and in order to get simple results, we confine ourselves by considering the case when any cell has three planes of symmetry, which are parallel to the coordinate planes. Now we enumerate new results which can be obtained using new approach and corresponding way of motivation. Firstly, new method for getting effective moduli of elasticity for composite. For example, we present simple formulae for these moduli. We convince a reader that we get exact values of the moduli for uniform averaged stresses and strains. Secondly, we present new motivation, which leads to the homogenized problem. We prove that "regular expansion" represents effective solution of all equations of elasticity theory for an initial nonhomogenized composite if averaged stresses and strains satisfy to the homogeneous equation. Thirdly, the boundary layer concept is applied for correct formulation of the boundary conditions for homogenized problem which permits to satisfy boundary condition for initial nonhomonized problem.

Calculation of stamping of thin-sheet metals by movable media is often concerned with parameters definition of the loading pressure that changes in time. For the finite-element simulation with LS-DYNA code the approach for estimation of pressure parameters at static loading is developed. This approach provides convergence to a static case of the problem of wave dynamic forming of shell with round cross-sections. The given approach is tested with forming of real sheet metal blank.

The principle difference between suggested equations and classical ones for the description of continuous mechanics consists in consideration of the angular moment variation in an elementary volume, as usually it is disregarded. The main attention is given to the analysis of deduction the Navier-Stokes equations and the Boltzmann equation which are the same general conservation laws for mass, linear momentum, and energy; besides these equations have the common region of definition. The main attention is given to interaction of nonstationary and dispersion effects in the laminar boundary layer for classical equation of density and classical nonstationary operator. Such problem as compression of ideal hard plastic (Prandtl problem) is also considered.

The measurements of shape memory effect of the Ti_50.08Ni_49.92 alloy were conducted by observing the progressive changes in shape recovery with increasing number of thermo-mechanical cycles. Two different thermo-mechanical protocols were studied using a bending apparatus. In the first one, the temperature cycling was performed under bending deformation for cooling and subsequent heating without external load. After each heating path the shape recovery was evaluated as a result of reverse transformation. In the second protocol the temperature cycling was executed under bending deformation both for cooling and heating. Here, the shape recovery was measured under load and as the load was released right after heating. The results for the second protocol showed that the degree of shape recovery decreases continuously with thermo-mechanical cycling while in the first protocol it is observed to be high almost stable. It was found that the changes in shape recovery behaviour depend on the nature of the transformation cycle, in particular, on whether a stress is applied during transformation. The reverse transformation in the second protocol occurred under load; therefore, such a loading process may inhibit to some extent the shape recovery by an uncompleted transformation (retained martensite). The results also suggested that the microstructural changes in the actuated material are more pronounced for the thermo-mechanical cycling where the load was maintained during both cooling and heating in comparison to the cycling with heating under no load.

A review of theoretical models describing the strengthening and softening mechanisms in nanocrystalline materials under superplastic deformation is given. In the framework of these models, the strengthening occurs due to the effects of triple junctions of grain boundaries as obstacles for grain boundary sliding. The local migration of triple interface junctions (caused by grain boundary sliding) and the emission of lattice dislocations bring about softening of a nanocrystalline material. The flow stress is found as a function of the total plastic strain, and the results agree well with experimental data from nanocrystalline materials exhibiting superplasticity, reported in the literature.

A dislocation-exciton mechanism of cracks healing under the action of X-ray and ultra-violet radiation is offered.

Conditions of gauging true microhardness of thin ribbons of amorphous metallic alloys (AMA) taking into account of their depth are established. For the first time the indentation method was approved for an assessment of crack resistance of AMA. The behavior of parameter K_1c was found in the temperature interval of viscous -brittle transition down to the beginning of volumetric crystallization of AMA. The estimation method of temperature of viscous -brittle transition is offered at the microindentation of annealing ribbon on an elastic substrate.

For projects concerning modification of urban structures or landscape, it is essential to have a visualisation before, during and after the planning. It conveys an impression of existing city structures or newly planned buildings roads, railways in 3D reality it helps to gain public acceptance. The design of such constructions makes high demands on geometry and planning technology. The construction project, as a 3D object, must therefore be assessed in whole and only this leads to a comprehensive evaluation of alignment, design and following up safety. On the basis of surveying and planning data, a 3D model fitted together of several information levels.

The paper is devoted to algorithms for generating procedural textures, their estimations and comparison. Among wide variety of objects that can be produced with procedural textures, the most interesting are amorphous or gaseous phenomena. They imitate natural objects such as smoke, clouds, or dust and must be compared between them in similarity. As a comparison criterion, an image power spectrum¹ is chosen with the goal to make process of tuning procedural texture parameters more formal and automated. The idea to compare power spectrum characteristics of natural images and procedural textures is extended on larger set of parameters defining texture as well as on comparison of generation techniques.

The paper is devoted to the local path planning of intellectual agents with kinematics constraints. The method proposed allows us to calculate paths for several agents and to accommodate the paths to changing environment. At the same time, it satisfies computer performance restrictions in real time applications. The original approach of the method is a use of so called dual space. We present a one-to-one transformation of a source space to 3D space of a special structure. Path-planning tasks are resolved in the dual space. Then the solutions are transformed back to original space. The result of this method is a complex path planning in real time. It is illustrated on a high-speed car traffic model. This work extends previous research made by author in [5]-[7}.

Present paper is aimed to work out efficient algorithm of multi-chain manipulator path planning in 3D space with static polygonal obstacles. The resulting solution is based on navigational maps approach. Using this approach, manipulator features are considered as intellectual agent, and reachability information is stored in compact form. This enables fast adaptation to arbitrary parameters of manipulator and workspace. The paper describes two algorithms: (i) a local walkthrough with obstacle avoidance, and (ii) incremental navigational map building, performed at running stage. Both algorithms take an extensive use of the specific features of the task. Working simultaneously, they allow real-time manipulator path planning, as well as self-learning in idle mode. Algorithms are implemented as a demonstration program.

In this report we describe the algorithm of sound fragments preprocessing, making sound base used in system of synthesis of speech under the text. Concatenative synthesis qualities are determined by quality of sound base in many respects. Each period has some initial phase, and periods, following one by one, not necessarily have identical initial phases by numbering a speech signal. Presence of initial phases creates problems at the analysis and updating, both the separate periods, and sounds as a whole. It is required to result a signal in a zero phase on frequency of the basic tone in the beginning of each period for elimination of distortions on joints of the periods and reductions of the distortions arising at their updating. Moreover values of last sample in all periods should coincide. Described preprocessing of sound base allows reduce considerably the high-frequency distortions arising at updating of sound fragments. The sound base contaming speech fragments, given to zero initial phases, allows receive synthesized speech with higher quality signal, than the sound base containing speech fragments with casual initial phases.

This article represents some first results of the work of finding the methods for getting presentation of real world complicated surfaces (objects of the real world) with the algebraic surfaces. It incorporates: Finding base elements (base surfaces) which will be put to the structured library. Studying regularities in shape changing and coefficients changing. Here are some reasons and results of adding the fourth variable to the surface equation.

In the given article the question of realization of remote control of air photography for creation topographical maps with quality control of snapshots in a real time mode is considered. The necessary functional blocks of such system and algorithm of their interaction are discussed.

The problems of system synthesis of composite systems giving the approach to mathematical modelling of composite systems for optimization of their cost are esteemed at maintenance of operation of a system with given errors and probabilities of failures.

In this contribution we report on the overall system "an intelligent building", consisting of three separate systems: telecommunication system, security system, and engineering system. The designing of such a system and implementation of it demands large economical costs. Its simulation and optimization of a project allows one to lower costs. One of such models is shown. In the report the parameters and yardstick are esteemed which should be reached by optimization of the problem.

In this work the assessment of complexity of frame of an aromatic field with allowance for chemical components and organization of regional communications are considered. Using known physical and chemical submissions about shaping aromatic mediums in enclosing space, a research model is developed. The general principle of assessment construction is illustrated on typical aromatic materials having an equal molecular mass, but a different spatial pattern.