Cluster approach in first-principle calculations for ferroelectrics

It is shown that, proceeding from the first principles, it is possible to separate the contributions from short-and long-range interactions to the lattice dynamics and dielectric properties of crystalline dielectrics. The cluster calculations of local force constants and potentials for the matrix and impurity atoms in ferroelectrics with the perovskite structure were made by the Hartree-Fock MOLCAO-SCF method. The parameters of the Devonshire-Slater-Barrett single-ion model are calculated for barium titanate and potassium niobate. The influence of the quantum statistics on the Curie temperature in these ferroelectrics and the isotope effect in barium titanate are also considered.     

Structure and morphology of laser-ablated WO3 thin films

The structure and surface morphology of WO₃ thin films deposited by a laser-ablation technique have been found to be strongly dependent on the deposition conditions and the nature of the substrate. By precisely controlling the substrate temperature and the oxygen partial pressure, amorphous, polycrystalline, nano-crystalline and iso-epitaxial WO₃ thin films were successfully grown. The structure and surface morphological features of the films from X-ray diffraction and atomic force microscopy data are described in relation to the deposition conditions. PACS 81.15.Fg; 68.55.-a; 68.37.Ps     

Determination of Calcium,Magnesium, Iron,Copper, Zinc,and Phosphorus in Blood Serum by Arc Atomic Emission Spectrometry

The results of the elemental analysis of blood serum are often used for the diagnosis of different diseases associated with derangements of mineral metabolism. In this work, we studied the main sources of a systematic error in the atomic-emission spectrometric (AES) analysis of blood serum and developed a procedure for the AES determination of Ca, Cu, Fe, Mg, P, and Zn in the human blood serum. The repeatability relative standard deviations of determinations varied from 10 to 24%.     

A Lower Bound for the Differences of Powers of Linear Operators

Let T be a bounded linear operator in a Banach space, with σ（T）={1}. In 1983, Esterle-Berkani＇ s conjecture was proposed for the decay of differences （I - T） T^n as follows： Eitheror lim inf （n→∞（n＋1）｜｜（I-T）T^n｜｜≥1/e or T = I. We prove this claim and discuss some of its consequences.     

Facile Template Synthesis in the System Ni(II)-Dithiooxamide-Acetaldehyde on Gelatin-immobilized Nickel(II) Hexacyanoferrate Matrices

Template synthesis of a nickel(II) chelate with an (N'N'S'S)-donor ligand, 4'6-dimethyl-2'8-di-thio-3'7-diaza-5-oxanonanedithioamide-1'9, with a metal ion:ligand ratio of 1:1 is realized in getalin-immobilized nickel(II) hexacyanoferrate(II) matrices contacting with aqueous solutions containing dithiox-amide, acetaldehyde (pH > 10), where the latter two compounds play the role of ligand synthons. On directcontact of dithioxamide and acetaldehyde in the solution in the absence of Ni(II), the above (N,N,S,S)-donorligand does not form, and no nickel(II) chelates with this ligand can be obtained by reactions of known nickel(II) dithiooxamide complexes with acetaldehyde.     

Asymptotic expansion of the logistic midrange

Using the symbolic computation program MAPLE, we compute several terms of an asymptotic expansion for the distribution function of the logistic midrange.     

Synthesis of cationic molybdenum and cobalt diene complexes from neutral allyl compounds by ligand exchange in a strong protic acid

Conclusions The allyl ligand in neutral molybdenum and cobalt complexes is readily exchanged by dienes in the presence of a strong protic acid with the formation of cationic complexes. This exchange is facilitated by an increase in the basicity of the starting compounds.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 7, pp. 1655–1657, July, 1987.     

Synthesis and fungicidal activity of S-amino derivatives of O-alkyldithiocarbonic acids

S-Amino derivatives of O-alkyldithiocarbonic acid were prepared by oxidative condensation of certain alkaloids with sodium xanthates. Some of the compounds synthesized exhibit fungicidal activity.     

Halogenation of N-substituted para-quinone monoimine and para-quinone monooxime esters: VI. Regular trends in chlorination and bromination of N-arylsulfonyl-1,4-benzoquinone monoimines alkyl-substituted in the quinoid ring

Reactions of halogens with N-arylsulfonyl-1,4-benzoquinone monoimines occur with the formation of a halogenonium ion that either transforms into a carbocation where the first halogen atom adds to the carbon in the ortho-position relative to the carbonyl carbon, or the halogenonium ion adds directly the second halogen atom.     

An improved approach for hydrogen analysis in metal samples using single laser-induced gas plasma and target plasma at helium atmospheric pressure

We report in this paper the results of an experimental study on hydrogen analysis of solid samples in high pressure helium ambient gas employing the basic scheme of laser induced breakdown spectroscopy (LIBS). It is shown that the metastable excited state of helium atom can be utilized to induce delayed excitation of the ablated hydrogen atoms, and thereby avoid the Stark broadening effect as well as overcoming the undesirable mismatch effect, which are responsible for inefficient excitation respectively. It is further demonstrated that for samples of high boiling-point materials such as zircaloy, successful hydrogen analysis can be achieved by a newly introduced double excitation technique employing single laser realized in a modified configuration of the conventional LIBS method. PACS 51-52