This PDF file contains the front matter associated with SPIE Proceedings volume 7377, including the Title Page, Copyright information, Table of Contents, Introduction, and the Conference Committee listing.

Molecular dynamics simulation of individual carbon nanotube mechanical properties and these of ordered carbon nanotube arrays as well as contact interaction with diamond surface is presented. Carbon nanotube with closed end was shown to possess large elastic deformation during indenting smooth surface or moving across roughened one. Spontaneous penetration of nanotube into triangular groove on the diamond surface is also demonstrated. This effect can be used for self-assembling of nanoelectronics structures.

Fe and Fe₃C nanoclusters are of interest because of their potential use in spintronics. Such systems may be fabricated inside carbon nanotubes, where exchange bias has is important. An additional motivation to study these systems is to investigate the influence of iron-carbon interaction determines on magnetic ordering and properties of the system Fe cluster in carbon nanotube (CNT) The structural arrangements and magnetic properties of iron encapsulated in carbon nanotubes were investigated.. The geometry and magnetic structure of freestanding state and encapsulated in CNT Fe and cementite Fe₃C clusters were simulated using ab initio methods. Besides, properties of the Fe cluster-nanotube system was studied when clusters are present in the single and multiwall carbon nanotubes. When the ratio of the cluster to nanotube diameter is enough small the system is stable and the spin polarization near the Fermi energy is high. If that ratio is close to 1, such system is less stable and a tendency towards antiferromagnetic ordering is revealed.

Electronic and magnetic properties of BeSiAs₂ and BeGeAs₂ ternary compounds with chalcopyrite structure doped with transition metals (Mn, Cr) have been theoretically studied from the first principles. The influence of the substitutional positions of impurity atoms and their type on the appearance of a ferromagnetic (FM) or antiferromagnetic (AFM) state has been analyzed. It was found that magnetic moment of the systems does not depend strongly on the concentration and distance between impurity atoms, while the most important factors observed are the impurity type and substitution sites. Configurations with Mn atoms in the II-group sites are energetically stable in the AFM state, whereas Cr-doped ones seem to be in the FM state. Substitution of IV-group positions by both metals results preferably in the FM state, however these positions are not energetically favorable in comparison with II-group ones. The spin polarization of doped materials is evaluated and their possible application in spintronics is analyzed.

In present paper we report results of computer simulation of crystalline and electronic structure of the molecular complexes - fullerene C₆₀ and LCV (Leuco Crystal Violet), C₆₀ and Bz₄BTPE (tetrabenzo(1,2-bis[4H-thiopyran-4-ylidene]ethene)), C₆₀ and LMG (Leucomalachite Green), C₆₀ and TMPDA (N,N,N',N'-tetramethyl-pphenylenediamine)). Quantum chemical calculations regard to 3D molecular cluster built of up to several layers C₆₀•and donor molecules each. Electronic structure modeling results in the HOMO-LUMO gap width. It is shown that given modeling procedure produce the results corresponding to the X-ray diffraction data and AFM data. Thus, it can be successfully used for investigation of crystalline and electronic structures of fullerene-based materials.

Modeling of atomic structure and distribution of spin density for the NV center formed close to the surface (111) of nano-diamond has been carried out using quantum-chemical PM3 and DFT methods. The case is considered where the nitrogen atom of NV center is located in the near-surface atomic layer of a face (111). The relaxation of surface atoms relative to the initial position results in N atom to be shifted from the cluster center parallel to the <111> direction by 0.16Å, and C atoms belonging to the surface layer are also shifted parallel to the <111> direction to the center by 0.18Å. As this takes place, C-C and C-N distances between relaxed atoms decrease and a graphite-like structure is formed on a (111) crystal face. In the structure, the N atom and C atoms nearest to it lay practically in the same plane. The formed CN bond can be considered as one-and-a-half bond. It has been found that unlike the NV center in bulk diamond for which the spin density is located mainly on the carbon atoms, being nearest neighbors to the vacancy of the NV center, in the case of the NV center located in immediate proximity to the surface, there is a redistribution of spin density resulting in its major allocation in three C atoms, the nearest neighbors to the N atom, that form the first atomic layer of a surface (111) of nano-crystal.

The model of spin-dependent electron transport through ferromagnetic/insulator/semiconductor nanostructures was developed on the basis of the transport equation accounting for carrier scattering and the image forces at the interfaces. Modeling was performed for Co/Al₂O₃/p-Si and CoFe/MgO/n-Si nanostructures. Tunneling magnetoresistance was modeled to be 7-13 % in Co/Al₂O₃/p-Si nanostructures biased in range from 0.7 to 2.0 V. A scattering well in the collector region was shown to increase the tunneling magnetoresistance by 4-5 %. In CoFe/MgO/n-Si nanostructures the tunneling magnetoresistance varivaries from 5 to 50% when the external bias is ranged from 0.1 to 2 V.

Electronic and geometrical structures of Co_n (n=6, 8, 9, 10, 12, 14) particles have been studied using both the density functional theory and Hartree-Fock calculations. Structural and electronic differences to the corresponding clusters are presented. We have tried to recognize which structure (fcc or bcc) is more preferable for these particles. A four-fold and higher coordination of the Co atoms was found to be the particularly preferable coordination environment in small Co_n species. The key element of the Co particle is alsosuggested.

A process of electromagnetic radiation traveling through liquid-containing nanostructured heterogeneous materials was simulated. Mobile phone antenna pattern is calculated and its change when applying protective shield made of said materials is studied. Transmission/reflection characteristics of antenna are calculated.

The multiparametric analysis of simultaneous optical data (obtained from refractometry, absorbency, fluorescence and different types of light scattering) for nanoparticle ensembles (systems) can help to elucidate the processes of nanoparticle interactions. In the paper the improved analysis of static light scattering (integral and differential) data by presentation as optical parameter vectors is shown for mixtures of anthracene and β-cyclodextrin nanoparticles.

Communication contains the description of the immunology experiments and the experimental data treatment. New nonlinear methods of immunofluorescence statistical analysis of peripheral blood neutrophils have been developed. We used technology of respiratory burst reaction of DNA fluorescence in the neutrophils cells nuclei due to oxidative activity. The histograms of photon count statistics the radiant neutrophils populations' in flow cytometry experiments are considered. Distributions of the fluorescence flashes frequency as functions of the fluorescence intensity are analyzed. Statistic peculiarities of histograms set for healthy and unhealthy donors allow dividing all histograms on the three classes. The classification is based on three different types of smoothing and long-range scale averaged immunofluorescence distributions and their bifurcation. Heterogeneity peculiarities of long-range scale immunofluorescence distributions allow dividing all histograms on three groups. First histograms group belongs to healthy donors. Two other groups belong to donors with autoimmune and inflammatory diseases. Some of the illnesses are not diagnosed by standards biochemical methods. Medical standards and statistical data of the immunofluorescence histograms for identifications of health and illnesses are interconnected. Possibilities and alterations of immunofluorescence statistics in registration, diagnostics and monitoring of different diseases in various medical treatments have been demonstrated. Health or illness criteria are connected with statistics features of immunofluorescence histograms. Neutrophils populations' fluorescence presents the sensitive clear indicator of health status.

Communication contains the description of the immunology data treatment. New nonlinear methods of immunofluorescence statistical analysis of peripheral blood neutrophils have been developed. We used technology of respiratory burst reaction of DNA fluorescence in the neutrophils cells nuclei due to oxidative activity. The histograms of photon count statistics the radiant neutrophils populations' in flow cytometry experiments are considered. Distributions of the fluorescence flashes frequency as functions of the fluorescence intensity are analyzed. Statistic peculiarities of histograms set for women in the pregnant period allow dividing all histograms on the three classes. The classification is based on three different types of smoothing and long-range scale averaged immunofluorescence distributions, their bifurcation and wavelet spectra. Heterogeneity peculiarities of long-range scale immunofluorescence distributions and peculiarities of wavelet spectra allow dividing all histograms on three groups. First histograms group belongs to healthy donors. Two other groups belong to donors with autoimmune and inflammatory diseases. Some of the illnesses are not diagnosed by standards biochemical methods. Medical standards and statistical data of the immunofluorescence histograms for identifications of health and illnesses are interconnected. Peculiarities of immunofluorescence for women in pregnant period are classified. Health or illness criteria are connected with statistics features of immunofluorescence histograms. Neutrophils populations' fluorescence presents the sensitive clear indicator of health status.

A specially developed complex, combining functions of optical and force microscopy, was used for investigation human blood cells, namely erythrocytes. The evaluation of the red blood cells form has a significant practical interest, so far as it determines the functional states of these cells and may change under the influence of many external factors and also in the case of some pathology. We received erythrocytes surface topography recorded by atomic force microscopy in the air conditions comparing two methods of simples' preparation. Also we derived the contrast image of cytoskeleton spatial structure of intact red blood cells and made the quantitative analysis of their elastic properties using the techniques of force spectroscopy. The possibility of the investigations of these biological objects using atomic force microscopy gives wide opportunities for the future research.

Thin composite films of amphiphilic polymer (poly-4-vinyl pyridine, PVP) with addition of membrane lipids (cholesterol, dipalmitoylphosphatidylcholine, stearic and behenic acids) were constructed by Langmuir-Blodgett method to develop coatings miming functions of lipid membranes. The structures of the polymer/lipid monolayers on solid surfaces were analyzed by AFM. Morphology of PVP monolayer is varied from uniform smooth surface to a "labyrinthlike" one depending on the surface pressure of film deposition. Flexibility of macrochains of polymer plays an important role in the process of film formation due to "skeleton" structure of the polymer. The mixture of the polymer and a lowmolecule component mainly in the ratio 1:10 possesses the domain structure where the amphiphilic polymer appears to be a matrix in which circle domains of a lipid are embed. It is demonstrated that films of amphiphilic PVP are stable on the porous surface of anodized aluminum oxide, which appear to have stability to the influence of water.

The results of systematic theoretical studies of molecular structure, charge distribution and bond characteristics (bond lengths and bond orders) of potassium - magnesium aspartates ((Asp¯)₃ K+ Mg²⁺) in aqueous solution obtained by ab initio quantum-chemical method are presented. The supermolecules including (Asp¯)₃ K+ Mg²⁺ + nH₂O + (n = 20, 40, 60, 100;) were considered. In all the cases supermolecule structure were optimized by using the total energy minimization of the system. The features of a structure of associates formed as a result of interaction of potassium and magnesium aspartates with molecules of water are studied. Is was shown, that in the aqueous solution K and Mg aspartates form stable complexes, the structural elements in which are joined by electrostatic interaction.

In this contribution we considered the nucleation and growth of vacancy clusters in nickel. All the molecular dynamics calculations were done with the help of one and the same interatomic potential found on the basis of the pseudopotential theory. We studied influence of alloying elements (tungsten, scandium) on trapping and mobility of vacancies and bivacancies, and calculated binding energies. It was found that different types of vacancy clusters (stacking fault tetrahedra, dislocation loops and voids) can be analyzed quantitatively with the help of simple geometrical principles. Swelling mechanism for irradiated metals, which is based on the peculiarities of void growth discovered by computer simulations, is proposed. The mechanism incorporates four postulates which explain why pure metals swell at all, why there exists incubation time for swelling, and why swelling is proportional to irradiation time to some power m, where m is at first larger and then smaller than one. The estimates give m ≅ 1.87 at the first stage and m=1/3 at the last one.

In this contribution we report mechanical resonance properties of ordered carbon nanotube arrays as elements of microwave and acoustic nanoelectromechanical systems in continuum approximation for frequency range 0.1 MHz - 70 GHz.

Glasses of the following composition 45Na₂O•(55 - x)P₂O₅•xNb₂O₅ and 50Na₂O•(50 - x)P₂O₅•xNb₂O₅ are studied. It is found that under the influence of γ-radiation the glass color changes. Optical absorption spectra, photoluminescence spectra, Rayleigh and Mandel'shtam - Brillouin scattering (RMBS) spectra are investigated in dependence of glass composition, europium concentration, thermal treatment duration and radiation dose. Effect of secondary thermal treatment is studied on the base of 45Na₂O•25P₂O₅•30Nb₂O₅ doped with 1 mol.% Eu₂O₃. It is found that intensity of photoluminescence gives rise and decay time as well under thermal treatment at the temperature exceeding transition temperature by 50 degrees. RMBS spectra of glasses after thermal treatment demonstrate decrease of scattering intensity while Eu₂O₃ being doped. Effects obtained are accounted for europium ion local symmetry changes.

This article reports an computer simulations of physical properties of Heusler NiMnGa alloy. Computer simulation are devoted to austenite phase. The chemical composition of researched specimens causes generation martesite and austenite phases.

A high-resolution atomic force microscopy using a quartz tuning fork in ambient conditions has been developed, which operates in two modes: tapping and shear modes. In our designs, a tungsten tip, with radius about 30-50nm, was attached to one prong of the tuning fork. Furthermore, a combination of the transducer and AFM NT-206 (Belarus) allows the assembly of system of tuning fork gluing tungsten tip to retain a high quality factor of up to 9000. These results lead to the possibility of commercial applications of a simple, user-friendly and advantage system for atomic force microscopy.

The combined influence of low-flux electron irradiation and weak magnetic and electric fields on silicon single-crystal microhardness was investigated. It is shown that the microhardness is more sensitive to low-doses effects irradiation than conductivity. The effect of magnetic and electric fields on the process of secondary radiation defects generation was revealed.

The combustion synthesis (CS), or self-propagating high-temperature synthesis (SHS) is a cost and energy efficient route for producing a wide range of refractory compounds (carbides, silicides, intermetallics) and advanced micro- and nanocrystalline materials. However, despite 40 years of extensive studies and industrial applications, intricate phase formation mechanisms that operate during CS are still not well understood. This hinders the development of novel materials and SHS-based technologies. An answer to the most urgent question in this area, viz. "why in CS the interaction accomplishes in a short time, ~0.1-1 s, while the traditional furnace synthesis of the same material takes several hours for the same starting composition, particle size and final temperature," can be found only through mathematical modeling. In this work, the results of mathematical modeling of the interaction kinetics in condensed systems in non-isothermal conditions typical of CS are reported. Calculations were performed using the experimental data on SHS and diffusion parameters for the product phases on the example of TiC and NiAl. The maps of phase formation mechanisms that operate during CS are constructed. The uncommon, non-equilibrium interaction pathways, which were observed experimentally and debated in literature, are confirmed theoretically ex contrario.

In this work, we present a physical model and electrical macromodel for simulation of Magnetic Tunnel Junction (MTJ) effect based on Ferromagnetic/Insulator/Semiconductor (FIS) nanostructure. A modified Brinkman model has been proposed by including the voltage-dependent density of states of the ferromagnetic electrodes in order to explain the bias dependence magnitoresistance. The model takes into account injection of carriers in the semiconductor and Shottky barrier, electron tunneling through thin insulator and spin-transfer torque writing approach in memory cell. These very promising features should constitute the third generation of Magnetoresistive RAM (MRAM). Besides, the model can efficiently be used to design magnetic CMOS circuits. The behavioral macro-model has been developed by means of Verilog-AMS language and implemented on the Cadence Virtuoso platform with Spectre simulator.

The arrays of multi-wall carbon nanotubes (CNTs) filled with ferromagnetic nanoparticles (MFCNTs) have been obtained by the high temperature pyrolysis of fluid hydrocarbon (o-xylene) in a mixture with the volatile source of catalyst (ferrocene) using Ar as the gas-carrier. The influence of the catalyst concentration cx (0.5%, 5%, and 10%) in the feeding solution on the composition, crystalline structure, morphology and, accordingly, magnetic properties of MFCNT arrays in a wide temperature range was investigated. The X-ray diffraction, SEM and TEM methods revealed that CNT arrays are filled by Fe₃C and Fe phases and that the higher is the catalyst concentration in the feeding solution, the higher is Fe₃C and Fe content in CNT arrays. Temperature dependence of the specific magnetization σ(T) shows that σ increases with the increasing of ferrocene concentration in a whole temperature range under investigation (78 ≤T < 600 K). It is shown that σ(T) follows the Bloch law in the temperature range 80-300 K with Bloch constant B=1.65^.10^-5 K^-3/2 and the Stoner law at 300-480 K for samples with c_x=10% and, correspondingly, 80-450 K with Bloch constant B=6.1.10^-5 K^-3/2 and 450-480 K for samples with c_x=5%. The lower value of Bloch constant, which characterizes the exchange interaction, in the case of c_x=10% might be attributed both to dimensional effects and the decrease of the effective magnetic momentum of Fe phases atoms. The hysteresis loops demonstrate that coercivity Hc(c_x=5%) decreases, but H_c(c_x=10%) is constant or even slightly increases with increasing the temperature. This phenomenon is explained by the increase both the saturation magnetization and shape anisotropy.

Anisotropic optical properties of free nanoporous anodic alumina films transparent in the visible spectrum for the restricted range of pore diameters and pore intervals are discussed. The basic experimental procedure is presented for the production of these films. Diagrams of elastic light scattering in two-dimensional nanoporous alumina structures demonstrated anisotropy due to the spatial distribution of the photon density of states because of the photonic band gap formation in materials with a periodic change of the refraction index on the scale of the wavelength. A birefringence value (the difference in the normal and tangential refraction indices) was found from the measurements and computer modeling to be up to 0.08. Light scattered along pores was experimentally found to have a polarization perpendicular to the polarization of the incident light. The results obtained show that the nanoporous structure of anodic alumina films can be purposefully used to control a light propagation, namely, to perform anisotropic light scattering in LCD backlight systems as well as potential modification of light polarization.

Study of stress gradients is one of the important problems of the X-ray tensometry, especially, in the case of analysis of residual stress state arising after different modern treatments like material modifications by ion beam technologies or surface treatments by laser. These problems related directly with incompleteness of theoretical and experimental measurement techniques with using of X-ray diffraction for study of stress gradients and they are connected with nonlinear character of dependency of diffraction angle θ_φ,_ψ versus sin²ψ and with broadening of diffraction line caused by surface stress gradient. Computer simulation gives possibility to resolve the problem of determination of stress state characterized by strong gradient. The objective of presented paper is to develop a methodology of determination of stress gradient parameters. The methodology is based on computer simulation of diffraction line and permits to make corrections of stress measurements made by diffraction sin²ψ-method.

The stability of the carbon nanotube subjected to Joule's heating is investigated by means of classic molecular dynamics simulation. The systems without side heat sink and with side heat sunk were considered. The later consisted of a nanotube loosely incorporated into diamond nanocristal. The results of the molecular dynamics simulation have shown that a carbon nanotube is able to conserve its regular structure under high electric power dissipation rates (up to 10 mkW for a nanotube of the length of 4 nm). The efficiency of heat sink can be increased by means of diamond matrix.

Physical properties of novel nanostructural coatings, formed by ion-plasmous flux from solid solutions of transition and refractory metals (Ti, Zr, Cr) have been intensively studied to enhance characteristics of tool materials. We have developed the modeling technique for effective predictions of internal stresses and calculation of elastic properties of nanostructural coatings composed of metal nitrides. Quantum-mechanical modeling of microstructure, elastic constants, bulk modulus and residual stress for binary and ternary metal nitride clusters have been performed. The dependences of these characteristics on the crystal structure deformations have been investigated. The essential modification of elastic constants and bulk moduli with changes in lattice constants and stoichiometric composition has been observed. The influence of elastically stressed state of sample on X-ray diffraction intensity has been examined by using the exponential model. The model of residual stress distribution identifying in depth of wear-resistant nanostructural coating from the data of diffraction experiments has been developed.

In this work, the influence of palladium addition on phase transition, surface morphology, structural, vibrational, and electrical properties of nickel silicide is investigated at various temperatures. For Ni(Pd)Si films micro-Raman measurements have yielded Raman phonon peaks belonging to NiSi phase, although redshifted, on par with new peaks at 322 and 434 cm^-1, not determined before, which we assign to the compositional disorder, introduced by Pd. The results have shown that Ni(Pd)Si films are thermally stable up to 900 °C, which is 100-150 °C more than that for pure NiSi films. Applying Miedema's model we have calculated the heat of formation for Ni(Pd)Si and found it to be more negative than that for pure NiSi, revealing a key role of Pd in the retardation of NiSi2 phase formation. AFM results have shown that the presence of Pd favorably influences the surface morphology of NiSi, resulting in a smoother surface. Furthermore, we have discussed the impact of annealing conditions on peculiarities of Pd diffusion, element distribution and electrical properties of Ni(Pd)Si and NiSi films.

The mechanisms governing the formation of structural state and kinetics of transformations in the metallic clusters Ni during the agglomeration are investigated with the use of a method of molecular dynamics. The size effect during the two-particle agglomeration is discovered in the investigated temperature interval. It is shown that for the nanoparticles with the size of d~3 nm for T=0,95Tm their coalescence occurs.

Present paper is continuation of the previous works but for the boundary conditions. Then equilibrium conditions of forces are the special case of more common conditions of equilibrium of angular momentum. The modified equations of conservation are conservation laws of density, linear momentum, energy and new law is law for angular moment is suggested. The problem of boundary conditions for a rarefied gas flow was studied both analytically on the base of the Boltzmann equation and numerically by the DSMC approach. It is well known. We discuss the problems that can be appearing to considerate the angular momentum variation in an elementary volume near the surface. The particles without structure were discussed.

The explanation of the experimentally observed types of temperature dependences of the deformation characteristics of Ti₃Al, based on computer simulation results of superdislocations core structure in different slip planes, is given. Mechanisms of micro and macrockack formation are studded. Orientation dependence of deformation behavior and fracture in Ti₃Al is investigated.

Recent work on modeling of spatial configuration of native and impurity defects in wide-band gap semiconductors such as ZnSe and GaN was reviewed. The calculations were performed by semi-empirical and non-empirical SCF MO LCAO method in the frame of the cluster approach, with full energetic optimization of the spatial atomic configurations. In ZnSe, the calculations allowed to rule out some spatial configurations of nitrogen-related defects discussed in the literature. A metastable behavior of nitrogen-related defects was predicted, and the correlation of the results of modeling with transformation of excitonic photoluminescence spectra after annealing was observed. For wurtzite type GaN, incorporation of Si in GaN lattice sites on Ga place leads to the lattice relaxation including an increase of the c lattice parameter with simultaneous decrease of the a parameter. The result is the reduction of compressive strain in GaN grown on sapphire, in accordance with the data of reflection spectra, or the increase of tensile strain in GaN/Si, in accordance with the literature data. In GaN, calculated spatial configurations showed both anisotropic and isotropic type of lattice relaxation, depending on the nature of impurity. The importance of defect modeling in heteroepitaxial heterostructures taking into account lattice mismatch strain is discussed.

Quantum information technology (QIT) is extremely fast developing area strongly connected with achievements in modern physics. We present a review of recent achievements in implementation of solid-state scalable quantum processors with special emphasize on diamond-based quantum hardware.

The paper provides an introduction to fundamental concepts of mathematical modeling of mass transport in fractured porous heterogeneous rocks. Keeping aside many important factors that can affect mass transport in subsurface, our main concern is the multi-scale character of the rock formation, which is constituted by porous domains dissected by the network of fractures. Taking into account the well documented fact that porous rocks can be considered as a fractal medium and assuming that sizes of pores vary significantly (i.e. have different characteristic scales), the fractional order differential equations that model the anomalous diffusive mass transport in such type of domains are derived and justified analytically. Analytical solutions of some particular problems of sub-diffusion and super-diffusion in the fractal media of various geometries are obtained by the method of Laplace transformations. Extending this approach to more complex situation when diffusion is accompanied by advection, solute transport in a fractured porous medium is modeled by the advection-dispersion equation with fractional time derivative. In the case of confined fractured porous aquifer, accounting for anomalous non-Fickian diffusion in the surrounding rock mass, the adopted approach leads to introduction of an additional fractional time derivative in the equation for solute transport. The closed-form solutions for concentrations in the aquifer and surrounding rocks are obtained for the arbitrary time-dependent source of contamination located in the inlet of the aquifer. Based on these solutions, different regimes of contamination of the aquifers with different physical properties can be readily modeled and analyzed.

The ultrashallow p-n junctions (USJ) in modern VLSI technology are produced by low-energy high-dose ion implantation of donor or acceptor atoms into a Si waver with subsequent rapid thermal annealing (RTA) for healing the lattice defects and electrical activation of the dopants. During RTA, the phenomenon of transient enhanced diffusion (TED) is observed, which hinders obtaining the optimal concentration profile of the dopants and thus the required current-voltage characteristics of USJ. Solving the intricate problem of TED suppression is impossible without mathematical modeling of this complex phenomenon. However, modern software packages such as SUPREM-4 (Silvaco Data Systems), which employ the so-called "five-stream" approach, encounter severe difficulties in predicting TED. In this work, an extended "five-stream" model for diffusion of implanted dopants in monocrystalline Si during RTA is developed taking into account all the possible charge states of both point defects (vacancies and self-interstitials) and diffusing pairs ("dopant atom-vacancy" and "dopant atom-silicon self-interstitial"). The sink/source terms describing reactions between differently charged pairs and point defects are derived. New initial conditions are formulated basing on the experimental concentration profiles of dopants determined by the second-ion mass spectrometry and the profiles of "net" vacancies and self-interstitials after implantation, which are obtained by Monte-Carlo simulation.

The vacuum deposition process of super thin films of rare earth elements (REE) oxides was investigated and simulation of MIM nanostructures on their base was carried out. Super thin films was deposited by reactive magnetron sputtering of metallic targets in the argon and oxygen mixture. At the optimum technological regime (discharge voltage 400-440 V, substrate temperature 573-598 K) the yttrium and holmium oxides films growth rate is correspondingly 3.5 and 2.8 nm/min, their specific resistance is more than 10¹³ Ohm/cm, the value of permittivity is 10.4-16.8. The sensor MIM nanostructures of Al-(REE)₂O₃-Al type on the basis of super thin films was obtained. The resistance simulation approach by linear approximation of current-voltage relation was considered. For the yttrium oxide film thickness of 5, 16 nm and MIM-contact area of 1•10^-3, 2•10^-3 mm² increasing of the applied voltage from 0.04 to 1.2-1.5 V leads to increasing of current-voltage relation steepness from (1.5-2.5)•10^-8 to (19-22)•10^-8 A/V, and the resistance of the formed MIM nanostructures is firstly rising and then reducing in 1.9-4.0 times with the voltage increasing. MIM nanostructures was simulated as a negative differential conductivity elements. The current through MIM nanostructures has viewed as periodic impulses with frequency from ~100 GHz to ~10 THz.

In this paper we present a methodology for the end-to-end statistical process/device/circuit/system analysis and optimization. We use standard software at the every design stage when ordinary design procedure is performed. But approximated dependencies, which were obtained through the use of response surface methodology, are used to conduct statistical analysis in Monte-Carlo loop for investigation of influence of process parameters deviation on output process/device/circuit/system performances. A rudimentary simple example of the cell inverter design, formed on the basis of the MOS-transistor, illustrates the efficiency of the methodology.

Thin composite films of nanoparticles formed by Layer-by-Layer method on a glass substrate from colloid solutions of titanium oxide, zinc oxide or silicon oxide are studied. Atomic Force microscopy, Scanning Electronic Microscopy and contact angle measurements were used for investigation of the surface properties of coatings. Bicomponent TiO2/SiO₂ and ZnO/SiO₂ films modified by octadecyltrichlorosilane are found to acquire superhydrophobic properties depending on the surface coatings roughness. To simulate superhydrophobic surface formation process, roughness coefficient was calculated by equation of Ventelia-Deragina. Correlation of the effect of film roughness on surface wettability depending on the number of the layers and the size of nanoparticles were demonstrated. The method developed for producing of superhydrophobic materials and can be used for production of self-cleaning surfaces.

The results of Monte-Carlo simulation of ionized impurity scattering processes in doped silicon are presented. Adequacy and efficiency of the application of Ridley model to the calculation of ionized impurity scattering rates and electron mobility is proved via comparison of the simulation results with known experimental data.

Method providing possibility of controllable creation of areas with demanded physical and chemical properties is a key condition for radical progress in modern technologies. It is especially actual for creation of areas with the nanometer sizes. Two-dimensional physical modeling of process of an irradiation by phosphorus ions of generated ohmic contacts Mo-Si to the emitter of the silicon bipolar powerful transistor which structure has been made on new and standard technologies for the first time is demonstrated. Possibilities of this method are investigated and confirmed experimentally. In particular, it is shown that there is a possibility of purposeful change of a chemical compound on border Mo-Si, electrophysical properties of contacts molybdenum-silicon, electrophysical characteristics of areas of transistor structure, frequency and power parameters of transistors. Modeling was spent using of a program complex of company SILVACO.

The subject of this article is the modelling of planar linear motor, using the characteristic calculation module from MATLAB/Simulink and the visualization module developed in Macromedia FLASH MX6. The mathematical model was presented, and the visualization program was described. The simulation results were showed.