On the role of vacancies in the process of self-diffusion at low temperatures

Expressions for the calculation of the parameters of self-diffusion in a crystal of simple substance at temperatures close to absolute zero are derived. It is established that, in “loose” crystal structures (with the first coordination number below 12), the amount of atoms involved in diffusion motion exceeds the number of vacant sites in the crystal lattice at T=0 K. The results of calculations of the vacancy and diffusion parameters at T=0 K for ten cryocrystals show that the phenomenon of “nonvacancy self-diffusion at T=0 K” can take place only in bcc helium.     

3-D boundary element method for cracks in a plate

New fundamental solutions which automatically satisfy boundary conditions at the interfaces of an elastic plate perfectly bonded to two elastic halfspaces are implemented in a 3-D boundary element method (BEM) for crack problems. The BEM features a new integration scheme for highly singular kernels. The capability is achieved through a part analytic and part numerical integration procedure, such that the analytic part of the integration is similar for all slip/opening variations, ‘Part-through’ elliptic cracks in an elastic plate with traction-free surfaces are analysed and the stress intensity factor (SIF) values along the crack front are found to compare favourably with widely accepted numerically obtained SIF results by Raju and Newman.¹     

Self-similarity in diffraction by a self-similar fractal screen

Using the Sierpinski gasket as an example, it has been shown here that the paraxial Fraunhoffer-zone diffracted field of a self-similar fractal screen also exhibits self-similarity. This also establishes that fractal structures can be used with great profit in problems involving array syntheses. Recently, it has been shown that the Sierpinski gasket is itself a member of a much wider class of gaskets, and the potential for the use of fractal structures in electromagnetic (EM) problems may be vast indeed.     

Optimization of Automated Synthesis of 2-[18F]Fluoro-2-deoxy-D-glucose Involving Base Hydrolysis

Synthesis of 2-[¹⁸F]fluoro-2-deoxy-D-glucose ([¹⁸F]FDG) involving base hydrolysis was optimized. Fluorine-18 was isolated from irradiated water to more than 90% by sorption of [^{1 8}F]fluoride on QMA anion-exchange resin, which was followed by elution with a 96 : 4 (by volume) acetonitrile-water mixture containing Kryptofix 2.2.2 and potassium carbonate (molar ratio 2 : 1). This composition is the best for preparing the complex [K/K2.2.2]^{+ 18}F^- used in nucleophilic fluorinations. No additional azeotropic drying is required. Base hydrolysis under optimized conditions (40-45°C), followed by neutralization with HCl, removal of traces of the solvent, and purification of the final product on a combined SCX/Alumina N column, yielded [^{1 8}F]FDG of high radiochemical (>99%) and chemical purity with minimal product loss. With an RB-86 robotic system (Anatech, Sweden), the synthesis time was 38 min. The procedure is used in the Institute of Human Brain, Russian Academy of Sciences for routine synthesis of FDG; the radiochemical yield of the product by the end of synthesis (EOS) is reproducibly high: 63±3% (n = 40).     

Top-Seeded Melt-Growth of YBa2Cus3Ox Crystals for Neutron Diffraction Studies

We have grown cubic centimeter-size crystals of YBa₂Cu₃O _x suitable for neutron studies, by a top-seeded melt-growth technique. Growth conditions were optimized with an eye toward maximizing phase purity. It was found that the addition of 2% Y₂BaCuO₅ and 0.5% Pt (by mass) were required to prevent melt loss and to obtain the highest crystallinity. A neutron diffraction study on a mosaic of six such crystals found that the final Y₂BaCuO₅ concentration was 5%, while other impurity phases comprised less than 1% by volume. The oxygen content was set to x = 6.5, the crystals were detwinned, and then carefully annealed to give the well-ordered ortho-II phase. The neutron study determined that 70% of the mosaic's volume was in the majority orthorhomic domain. The neutron (006) and (110) rocking curve widths were ～1° per crystal and ～2.2° for the mosaic, and the oxygen chain correlation lengths were >100 Å in the a- and b-directions and ～50 Å in the c-direction.     

Synthesis and Structure of Complexes of Np(V) Perchlorate and Np(V) Chloride with Urea

The crystal structure of [NpO₂{OC(NH₂)₂}₅]ClO₄·H₂O and [NpO₂Cl{OC(NH₂)₂}₄] was studied by X-ray diffraction. The electronic absorption spectra of these complexes were recorded. The coordination polyhedron of Np in both complexes is a distorted pentagonal bipyramid. There is no cation-cation interaction of neptunyl cations in these complexes.     

Tritium Labeling of Androst-4-ene-3,17-dione by Liquid-Phase Selective Hydrogenation and Factors Affecting the Process

Androstenedione labeled with tritium at positions 1 and 2 was prepared. The molar radioactivity of the sample prepared using homogeneous catalysts was as high as 1.4-1.5 PBq mol^{- 1}. [1,2-³H]Androst-4-ene-3,17-dione can be converted into the [1-³H]steroid with the molar radioactivity of 0.9 PBq mol^{- 1}.