Doping of KDP single crystals with cerium: Growth and optical properties

The features of doping of KDP crystals with cerium ions and organocerium complexes with alizarin complexon and arsenazo III have been investigated. It is established that “direct” doping by introducing cerium salts into the initial solution cannot be implemented. The effect of organometallic complexes of cerium on the crystal growth has been studied. Organocerium complexes predominantly enter the prismatic or pyramidal growth sectors. It is shown that the complex arsenazo III + Ce blocks the growth of the prismatic sector. Cerium-doped KDP crystals exhibit a photoluminescence band peaking at the wavelength λ_max= 350 nm.     

An analysis of migration paths of Li+ cations in ternary oxygen-containing compounds Li p X q O r

A new method was developed for studying voids and channels in crystal structures based on the Voronoi-Dirichlet partition of crystal space, and 822 structurally characterized ternary compounds Li ^p X ^q O ^r were analyzed for the first time. For these compounds, the dimensionality was determined and the migration patterns of channel systems capable of providing lithium-ion transport were constructed. The calculated coordinates of lithium atoms in the centers of the voids are consistent (within 0.4 ?) with the known structural data. Among these compounds, 113 compounds have infinite channel systems, 60 compounds (18 structural types, STs) have been described earlier in the literature as solid electrolytes, and 53 compounds (23 STs) can be considered as potential one-, two-, or three-dimensional ionic conductors (13, 3, and 7 STs, respectively). Original Russian Text ? N.A. Anurova, V.A. Blatov, G.D. Ilyushin, O.A. Blatova, A.K. Ivanov-Shitz, L.N. Dem’yanets, 2008, published in Kristallografiya, 2008, Vol. 53, No. 6, pp. 987–993.     

Effect of oxygen deficit and nonuniform distribution of technological impurities on the dielectric properties of Y3Fe5O12 crystals

The experimental and calculated values of the optical permittivity ε_∞ have been analyzed and generalized with allowance for the oxygen concentration and possible valences of Fe and O ions in YIG single crystals. It is shown that the deficit of oxygen ions in the samples is accompanied by a decrease in ε_∞. A decrease in the gradient of distribution of Ba ions over the sample thickness decreases the difference between the calculated and experimental values. It is revealed that the ratio of the number of valence electrons to the number of core electrons, with regard to their polarizabilities, is proportional to the ratio of the incoherent and coherent X-ray scattering intensities, nk/k.     

Parametric oscillations and stability of systems with large modulation coefficient

We study parametric oscillations of linear systems with one degree of freedom for large values of the modulation coefficient. We use the classical analytic Lyapunov-Poincaré perturbation methods and an original numerically-analytic method of accelerated convergence to construct periodic solutions and the corresponding eigenvalues. We find the boundaries of stability and instability domains. We use specific models to illustrate the main properties of parametric oscillations of systems with singular character of the perturbation dependence on the modulation coefficient. We consider periodic boundary value problems for the modified Mathieu equation and the Kochin equation modeling crankshaft torsional vibrations and show that there are significant differences between weakly and essentially perturbed periodicmotions both for the lowest and arbitrary oscillation modes. We also describe the unusual properties of the boundaries in the domain of the system determining parameters.     

Buckling of a stiff thin film on a compliant substrate in large deformation

A finite-deformation theory is developed to study the mechanics of thin buckled films on compliant substrates. Perturbation analysis is performed for this highly nonlinear system to obtain the analytical solution. The results agree well with experiments and finite element analysis in wavelength and amplitude. In particular, it is found that the wavelength depends on the strain. Based on the accurate wavelength and amplitude, the membrane and peak strains in thin films, and stretchability and compressibility of the system are also obtained analytically.     

Structural hierarchy of rock masses and the mechanisms of its formation

The formation mechanisms for the structural hierarchy in geological media are discussed. It is shown that the formation of such a hierarchy is caused by certain external and internal circumstances. The first ones consist in the fact that, because of external actions, the Earth’s poles continuously execute the translational and rotational motions responsible for a regular structure of rock fracture and for the appearance of the scale factor √2. The second ones consist in the fact that, under the action of many random factors and because of external actions, during the formation of geological media there appear dissipative structures and, hence, some self-similar fractal structures are formed.     

Chlorination of aromatic substrates catalyzed by the phthalocyanine complexes

The chlorination of benzene, toluene, and o-xylene with molecular chlorine in the presence of the phthalocyanine complexes of different structures was studied. The transformations of the catalysts during the reaction were investigated. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1644–1647, August, 2008.     

Thermodynamic parameters of urethane formation reactions and concomitant processes

Thermodynamic parameters of reactions of methyl and phenyl isocyanates with a series of compounds were determined by quantum-chemical calculations. The products of these reactions model for various functional groups present in commercial polyurethanes. The thermodynamic stability series for compounds formed from aliphatic and aromatic isocyanates were constructed.     

New approach to processing of chlorine-containing wastes: Synthesis of 2,3-dichloropropene from 1,2,3-trichloropropane

Possibilities of utilization of by-products formed in manufacture of epichlorohydrin are considered. A promising way to utilize wastes from production of epichlorohydrin by synthesis of 2,3-dichloropropene from 1,2,3-trichloropropane is suggested.