Structure of organosilicon dendrimers of higher generations

The structure of organosilicon dendrimers of the ninth generation with the four-functional core and butyl terminal groups has been studied by small-angle neutron scattering. It has been demonstrated that the dendrimers are monodisperse objects with an anisometric shape. The partial volume and the average scattering density have been determined using the contrast variation technique. It has been shown that the dendrimers under study are identical in overall sizes and scattering density distribution. It has been revealed that 20% of the overall volume of the dendrimer is accessible for the penetration of the solvent. The distribution of the scattering length density in the dendrimers has been simulated and reconstructed using the Monte Carlo method, and a change in the excluded volume for different contrasts has been revealed. The specific features of the spatial structure of organosilicon dendrimers of higher generations have been discussed.     

Formation of power-law size distributions of defects during fracture of materials

The experimental data on the surface relief of loaded ribbons of an amorphous alloy have been obtained. The distributions of surface defects formed under loading have been analyzed using the wavelet transform and box counting method. Moreover, the data on the time accumulation of microcracks in the volume of a loaded granite specimen have been examined. It has been shown that power-law size distributions of defects (scaling) appear on the surface and in the bulk before fracture. It has been revealed that the appearance of the power-law distributions is one of the indications of the formation of the self-organized critical state. The formation of the self-organized critical state in the bulk and on the surface of the material has been considered. It has been established that the formation of the self-organized critical state precedes the fracture of a solid.     

Investigation of the ETA-BETA II plasma edge by surface analysis of collector probes

To investigate the ion flux escaping from the plasma and the impurity flux released by the wall, collector probes made of graphite, silicon and titanium have been exposed to the deuterium plasma confined in the toroidal device ETA BETA II. The damages on the collector surfaces have been surveyed by a scanning electron microscopy (SEM) apparatus. The deuterium and impurity retention have been measured by elastic recoil detection (ERD) and Rutherford backscattering spectroscopy (RBS) techniques respectively. The implantation build-up has been investigated as a function of the exposure time. The deuterium dose in graphite saturates after a few discharges, whereas the metal impurities exhibit a linear increase in time. The deuterium flux and its radial dependence, inferred from the implanted concentrations, have been compared with those measured by Langmuir probes. Metal impurities have been identified and their relative abundances have been compared with the material wall composition. The impurity flux is found consistent with the global content in the plasma derived by spectroscopic measurements. The deuterium dose measured in different samples has been related to the backscattering coefficient of the materials. Finally, to investigate the damage on sample probes facing the plasma particle flow, erosion probes made of vitreous graphite with silver implanted at a fixed depth have been exposed to the plasma and the thickness change after exposure recovered.     

Calculation of Normal Vibrations of Chlorin by the Method of Density Functionals

Using the DFT/B3LYP method with a 6-31G(d) basis set, the structure, normal vibration frequencies, and the absolute band intensities in the IR spectra of the chlorin molecule and its four symmetric isotopomers have been calculated. Scaling of the force field by the Pulay method in independent and natural coordinates has been carried out. A method for obtaining effective force fields without using experimental data on the fundamental vibration frequencies is proposed. By comparing the vibration modes and constructing special matrices, complete assignment of the fundamental frequencies of porphin and chlorin has been carried out. It has been shown that the majority of porphin macroring vibrations upon pyrrolenine ring hydrogenation are frequency-characteristic and only 12 vibrations change considerably. A frequency correlation with regard for the mode transition between chlorin and all its isotopomers under consideration has been established. Comparative analysis of the force fields of porphin and chlorin in dependent natural coordinates has revealed the unique nonlocal character of the change in force constants of the macroring upon hydrogenation of one pyrrolenine ring. Modeling of the IR spectra of chlorin and its isotopomers has been performed. Assignment and interpretation of the normal vibrations of the molecules under consideration have been carried out.     

Calculation of Plane Vibration Frequencies of the Porphin Molecule

By the DFT/B3LYP method with a 6-31G^** basis set the frequencies of normal vibrations of porphin and its five derivatives have been calculated. Scaling of the force constants for plane vibrations in independent natural coordinates has been carried out. Symmetry coordinates have been introduced and a force field for plane vibrations of the porphin molecule in independent symmetry coordinates has been obtained. Based on an analysis of special matrices and the potential energy distribution, complete matching of the plane vibration frequencies of porphin and its four isotopomers has been performed.     

Equation of state of metallic helium

The effective ion-ion interaction, free energy, pressure, and electric resistance of metallic liquid helium have been calculated in wide density and temperature ranges using perturbation theory in the electron-ion interaction potential. In the case of conduction electrons, the exchange interaction has been taken into account in the random-phase approximation and correlations have been taken into account in the local-field approximation. The solid-sphere model has been used for the nuclear subsystem. The diameter of these spheres is the only parameter of this theory. The diameter and density of the system at which the transition of helium from the singly ionized to doubly ionized state occurs have been estimated by analyzing the pair effective interaction between helium atoms. The case of doubly ionized helium atoms has been considered. Terms up to the third order of perturbation theory have been taken into account in the numerical calculations. The contribution of the third-order term is significant in all cases. The electric resistance and its temperature dependence for metallic helium are characteristic of simple divalent metals in the liquid state. The thermodynamic parameters—temperature and pressure densities-are within the ranges characteristic of the central regions of giant planets. This makes it possible to assume the existence of helium in the metallic state within the solar system.     

Electron spin waves of the surface of a nanotube

The spin-wave spectrum of a non-ferromagnetic electron gas on the surface of a nanotube in a magnetic field has been considered. The electron-electron interaction has been taken into account in the Hartree-Fock approximation. The dynamic spin susceptibility tensor of the electron gas has been calculated in the random-phase approximation. The spectra of intrasubband and intersubband magnons have been calculated in the quantum and semi-classical cases. It has been shown that, for a large number of occupied subbands, the spin-wave frequencies exhibit de Haas-van Alphen and Aharonov-Bohm oscillations with a change in the electron density and the magnetic flux through the cross section of the nanotube.     

Viscosity of aqueous solutions of monocarboxylic acids

An attempt has been undertaken to apply viscosimetric measurements for the examination of incomplete dissociation of symmetric electrolyte solutions. For this purpose precise measurements of the viscosity and density of dilute aqueous solutions of monocarboxylic acids (formic, acetic, propionic and valeric) have been conducted at 298.15 K. Modified Jones–Dole equations have been proposed for incompletely dissociated electrolyte solutions of 1–1 type. The data have been analysed taking into account dimerization of carboxylic acids. The B coefficients for all chemical species in the solution have been determined.     

Temperature dependence of second order Raman spectra of rubidium iodide crystal

The temperature variation of the second order Raman spectra of RbI has been theoretically studied in three basic symmetries on the basis of the modified Born and Bradburn theory. The phonon frequencies and corresponding eigenvectors have been determined at the room temperature by employing a three body force shell model. It has been assumed that the major factor which governs the temperature dependence of Raman intensity is the occupation number and the changes in the phonon eigen data and the polarizability parameters with temperature have been ignored. Calculations have been made at three temperatures namely, 300,90 and 23 K and the theoretical results have been compared to the experimental Raman spectra.     

Effect of tin-doping on polytypism of melt-grown crystals of cadmium iodide

The effect of doping of metallic tin in cadmium iodide crystals has been systematically studied. The method of zone melting has been employed both for purification and for the growth of single crystals of cadmium iodide. The doping has been carried out by zone levelling technique. The as-grown crystals have been characterized by X-ray diffraction and physical methods. All the crystals have been found to consist of the most common polytype 4H. Unlike the case of pure undoped crystals of cadmium iodide grown from melt, all the X-ray photographs showed the presence of arcing. None of the photographs showed the presence of streaking. Besides, the doped crystal were found to be harder than the crystals of undoped cadmium iodide. Unlike the undoped crystals, cleavage in the doped crystals was found to be difficult and highly localized. The results have been discussed.     

Effects of different Ti-doping methods on the structure of pure-silica MCM-41 mesoporous materials

Pure-silica mesoporous materials doped by titanium have been prepared by direct synthesis method and post-synthetic impregnation method. The effects of different Ti-doping methods on the structure of pure-silica mesoporous materials have been researched. X-ray diffraction, transmission electron microscopy, scanning electronic microscopy, energy dispersive X-ray spectroscopy, Fourier transform infrared spectroscopy, X-ray absorption spectrum and nitrogen adsorption-desorption isotherms have been employed to characterize the products. It has been found that structural properties were strongly related to the amount and the way of titanium introduction. The mesoporous ordering of the samples that have been prepared by direct synthesis method and post-synthetic method became poor with the increasing of titanium amount. The XANES and EXAFS spectra confirmed that the titanium have been inserted into the framework of MCM-41. The titanium grafted in the Ti-MCM-41 in fourfold coordination, and the titanium doped in the Ti/MCM-41 in higher coordination sites.     

Processes in the Coulomb field of nuclei and electromagnetic properties of hadrons

Particle-production processes in the Coulomb field of nuclei at high energies have been considered, and the electromagnetic properties of hadrons (mesons and hyperons) have been investigated in these processes. The results of previous investigations have been summarized, and new data from the SELEX (Fermilab) and SPHINX (Institute for High Energy Physics, Protvino) facilities have been discussed.     

大功率高亮度固体激光腔的选择

 分析了大功率激光器可供选择的几种腔型的动力稳定区。并对最近报道的两种固体激光腔型进行了评价，指出了存在的问题，提出采用小曲率半径的凹面镜和一凸面镜构成谐振腔是设计大功率高亮度固体激光器的较好方案。     

Role of defects in the kink mechanism of state switching

State switching occurring via the kink mechanism in linear systems has been described considering the effect of defects forming centers of enhanced kink pair nucleation and obstacles for kink propagation. An equation describing the switching kinetics has been derived considering the stochastic nature of kink pair formation in time and the random distribution of defects in space. Using this equation, the average switching time has been calculated as a function of the defect density and delay times caused by defects, and the ranges of parameters with domination of this or that defect type have been determined. The theory has been applicable to magnetic nanowires, dislocations, biological macromolecules, and many other systems.     

Effect of sediment formation on the filtration of a liquid from suspension

The problem of the gravitational filtration of a liquid in suspension is considered taking into account the formation of deposition by sedimentary disperse particles. The behavior of the suspension has been described using the system of equations of 1D inertia-free motion of a two-phase mixture, while the flow of the liquid through the porous sediment layer has been described by the filtration equation based on the Darcy law. The dynamics of sediment formation has been analyzed. Limiting cases of equidense and equilibrium suspensions have been studied separately. The expressions for integrated characteristics of the filtration of a disperse mixture in the gravity field have been derived, and the intensities of filtration in different regimes have been compared. The effect of key parameters on the dynamics of filtering a liquid from a suspension has been investigated.     

Determination of the structure of hyperfine sublevels of Rb in strong magnetic fields by means of the coherent population trapping technique

The splitting of hyperfine sublevels of the ⁸⁵Rb atom in strong magnetic fields has been studied by means of the coherent population trapping technique. Narrow resonances with a high signal-to-noise ratio have been detected in a 30-μm-thick spectroscopic cell. The magnetic field in the direction transverse to the laser beams has been created by permanent magnets and has reached 1600 G. Owing to the exclusive narrowness of the cell, the field in it is almost uniform. The break of the coupling between the electronic and nuclear moments, as well as the transition to the Paschen-Back regime in magnetic fields above 600 G, has been observed. The derivatives of the frequency shifts of the observed resonances and their asymptotic values in strong magnetic fields have been determined in terms of the magnetic field strength. The experimental results have been interpreted within a theoretical model based on the known constants of the hyperfine structure of the Rb atom.     

Adsorption of octylamine on titanium dioxide

Processes of adsorption and desorption of a model active substance (octylamine) on the surface of unmodified titanium dioxide (E 171) have been performed. The effects of concentration of octylamine and time of the process on the character of adsorption have been studied and the efficiency of the adsorption/desorption has been determined. The samples obtained have been studied by X-ray diffraction. The nitrogen adsorption/desorption isotherms, particle size distribution and absorption capacities of water, dibutyl phthalate and paraffin oil have been determined. The efficiency of octylamine adsorption on the surface of the titanium dioxide has been found positively correlated with the concentration of octylamine in the initial solution. The desorption of octylamine has decreased with increasing concentration of this compound adsorbed. For octylamine in low concentrations the physical adsorption has been found to dominate, which is desirable when using TiO₂ in the production of pharmaceuticals.     

Dynamic theory of two-photon correlators in the spectroscopy of single impurity centers

A dynamic theory of two-photon correlators measured in experiments with single molecular impurity centers has been developed. The theory takes into account the interaction between optically active electrons of an impurity center and phonons, excitations in tunneling systems of polymers and glasses, and transverse electromagnetic field. Both the correlator measured in the start-stop regime and the “full” correlator have been analyzed, and equations for these correlators have been derived. An equation relating these two correlators has been also obtained. The effect of the triplet level of an impurity molecule on the correlators leading to bunching of spontaneously emitted photons has been studied. The two-photon correlators have been calculated numerically, and their dependence on the incident light frequency and time between the pairs of detected photons in various realistic situations has been derived. Zh. éksp. Teor. Fiz. 113, 1606–1631 (May 1998)     

Melt growth of highly pure CdBr2 crystals and study of their polytypism

Very high purity single crystals have been successfully grown by the method of vertical zone refining. The problem of excessive evaporation of the material, confronted by the earlier workers, has been successfully overcome. The purity of the crystals has been tested by D. C. conductivity measurements and further confirmed by U. V. spectroscopy. X-ray diffraction has been employed for the characterization of the crystals. The crystals have been found to crystallize exclusively in 6R polytypic modifications, without any arcing and streaking on their X-ray photographs. The results have been discussed in relation to the effect of impurities on polytype formation.     

Effect of Neutron Irradiation on the Optical Properties of Corundum

The characteristic features of the process of radiation-defect formation and of a change in the structural and optical properties of corundum crystals exposed to reactor radiation have been investigated by spectroscopic methods. The dose dependences of the generation of a number of color and luminescence centers, the regularities of their thermal and photodecoloration, and the energies of activation of the centers have been determined. The influence of the overlapping of the absorption and luminescence centers has been estimated. The radiation-induced change in the structural parameters of the crystal and in the characteristics of the main reflexes has been determined. It has been established that at large reactor radiation fluxes the processes of damage of the crystal are accelerated and a small halo appears at 12.5°. The possible mechanism of damage and disordering of the structure of corundum irradiated in the reactor with a fairly large flux is discussed.