International Nuclear Information System (INIS)

This work presents a comparative study of low-alloy steel nitriding for different possible techniques. Active screen plasma nitriding (ASPN) is a successful surface modification method that has many advantages over the conventional DC plasma nitriding (CPN). The corrosion behavior of 30CrNiMo8 low-alloy steel has been examined using anodic polarization tests in 3.5% NaCl solution under varying conditions of ASPN and CPN processes. The process variables included active screen setup parameters, treatment temperature (550 and 580 deg. C), gas mixture (25/75 and 75/25 of N_2/H_2) and treatment time (5 and 10 h) in 500 Pa pressure. The structure and phases composition of the compound layer was studied by X-ray diffraction (XRD), microhardness tests, optical microscopy and scanning electron microscopy (SEM). It was observed that ASPN treated samples surface enhanced corrosion resistance while the temperature and/or hole size of ...

Energy Technology Data Exchange (ETDEWEB)

Oxygenated sterol compounds (OSC), when incubated for 1 hr with human erythrocytes in lipoprotein-depleted medium at concentrations of 0.625-5 x 10/sup -5/M, are inserted into the cell membrane and remain there despite subsequent washing of the cells. The insertion results in expansion of the surface area of the red cell ghost membrane, an increase in critical hemolytic volume, and as a consequence, in dimished osmotic fragility of the erythrocytes. This effect is seen with echinocyte-forming as well as with non-echinocyte-forming OSC. Erythrocytes treated with OSC do not differ from control cells with respect to their mean cell volume (MCV) in isotonic solution, water content, ion fluxes, and filterability through polycarbonate filters. The shift of the osmotic fragility curve toward lower NaCl concentrations is proportional to the amount of OSC inserted into the red cell membrane. 7BETA-Hydroxycholesterol, 22-ketocholesterol, and 20 ..cap ...

International Nuclear Information System (INIS)

Using an ab initio pseudopotential method within a generalized gradient approximation of the density functional theory, the structural, electronic, and phonon properties of SrS in the B1 (NaCl) and B2 (CsCl) structures have been studied. The calculated lattice constants, static bulk modulus, and first-order pressure derivative of the bulk modulus are reported for both the B1 and B2 structures and compared with previous experimental and theoretical calculations. Electronic band structures and densities of states have been derived for SrS. Subsequently, a linear-response approach to the density functional theory is used to derive the phonon frequencies and densities of states.

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No abstract prepared

International Nuclear Information System (INIS)

Structural instabilities are now being found in many high-temperature superconductors. Compounds with the A-15 (#beta#-W) structure comprise the most important group of these materials, and their properties have been extensively studied for over 15 years. A review is given of some of these results, particularly those relating to the elastic behavior. The empirical relation of the structural instability and the anharmonicity to the high superconducting transition temperature is discussed.

International Nuclear Information System (INIS)

Germanium coordination compounds (GCC) with oxiethilidendyphosphonic acid (Ge-Oedph) film structures electrophysical, optical, structural and adsorptive properties investigation results are represented. This structure concerns to a new perspective class of functional materials. The mechanism GCC films electric conductivity is investigated and explained. GCC possible application fields are specified.

International Nuclear Information System (INIS)

The dependence of Tsub(c) on composition and deformation is calculated and compared with the corresponding dependence for Tsub(m). It is shown that superconducting and structural properties of A-15 compounds can be described, at least qualitatively, by the quasi-one-dimensional model previously developed by the authors. The superconductivity mechanism is assumed to be analogous to the BCS theory. The upper critical field Hsub(c2) of the V_3Si or Nb_3Sn compounds is found to be much greater than that in V or Nb.

International Nuclear Information System (INIS)

Superconductivity in A-15 compounds is examined in terms of electron pairing induced by exchange of acoustic plasmons. The electronic band structure of Nb_3Sn, V_3Si, and similar materials favor transition temperatures of Tsub(c)approximately20 K. (Auth.).

British Library Electronic Table of Contents (United Kingdom)

Abstract Silicates are one of the most important classes of compounds on this planet, and more than 1000 silicates have been identified in the mineral kingdom. Additionally, several hundreds of artificial silicates have been synthesized. The substitution of oxygen by nitrogen leads to the structurally diverse and manifold class of nitridosilicates. Silicon nitride, one of the most important non-oxidic ceramic materials, is the binary parent compound of nitridosilicates, and it symbolizes the inherent material properties of these refractory compounds. However, prior to the last decades, a broad systematic investigation of nitridosilicates had not been accomplished. In the meantime, these and related compounds have reached a remarkable level of industrial application. This review illustrates...

Energy Technology Data Exchange (ETDEWEB)

Several Mg-Y binary ribbons with Y content up to {approx}17.9 at.% were fabricated by melt-spinning. X-ray diffraction (XRD) revealed that the phase structure changes with increasing Y content from extended solid solution to partially amorphous, and then fully intermetallic Mg{sub 24}Y{sub 5}. Anodic potentiodynamic polarization performed in 0.01 M NaCl electrolyte (pH=12) revealed improved anodic passivity behavior compared to pure Mg for all the Mg-Y alloys. X-ray photoelectron spectroscopy (XPS) revealed that the improved passivity of Mg-Y was more related to the elemental oxidation state rather than the concentration of the surface components. To study the effect of Cl{sup -} ion on the passivity behavior, anodic potentiodynamic and potentiostatic polarization were performed on Mg-17.9 at.% Y in alkaline (pH=12) NaCl electrolytes containing Cl{sup -} ion in the concentration range from 0.00 to 0.50 M. The passive films ...

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The aim of this work is to determine and compare the dosimetric properties of NaCl and KCl samples using infrared-stimulated luminescence (IRSL) technique. For a material to be used as dosimeter, both the IRSL temperature dependence and the radiation dose response have critical importance. In this work the IRSL characteristics from NaCl and KCl samples were experimentally investigated as a function of temperature and laboratory radiation doses. Dosimetric properties of NaCl and KCl samples were found significantly different. The IRSL signals displayed by NaCl were found to be more stable, reliable and agreeable than those of KCl.

Energy Technology Data Exchange (ETDEWEB)

No abstract prepared.

Wastenet

... Here we will summarize the synthesis, structure activity relationships , and molecular sites of action of mGluR5 PAMs. We will also review preclinical studies ...

International Nuclear Information System (INIS)

(1 Aug 1972). United States Belakhovskii, M. Pierre, J. Ray, DK v.

Energy Technology Data Exchange (ETDEWEB)

The bibliography contains citations concerning the properties of tantalum and tantalum compound films formed by sputtering techniques. Topics include processes, and electrical, magnetic, and dielectric properties of the sputtered films. Tantalum compounds studied include nitrates, oxides, and aluminides. The structural properties of sputtered films are also discussed. (Contains a minimum of 105 citations and includes a subject term index and title list.)

International Nuclear Information System (INIS)

We present a study of the crystal field in PrNiAl, NdNiAl, ErNiAl and ErCuAl intermetallic compounds based on inelastic neutron spectroscopy. These compounds crystallize in the ZrNiAl-type hexagonal structure with an orthorhombic symmetry on rare-earth sites. The results are compared with the specific-heat data, and the lower parts of the crystal-field energy-level schemes are determined. (orig.)

British Library Electronic Table of Contents (United Kingdom)

Abstract Phase-separation dynamics are investigated by SALS in aqueous MC solutions in the presence of 5% NaCl, promoted by a quench temperature. The observed scattering peak indicates that the phase separation occurs by the SD mechanism, leading to a bicontinuous structure. A semilog plot of I(q) against time in the early stage of SD gives a straight line, but the position of qmax varies; also, a Cahn-Hilliard plot indicates that diffusive processes dominate and the data can be described by linear CHC theory. Dapp shows a kinetic dependency on the quench temperature. The spinodal temperature of the sample is 41-C. In the late stages, S(q,t) collapses into a universally time-independent curve.

Energy Technology Data Exchange (ETDEWEB)

To study the plasma evolution and spatial structure at the L/H transition, the double hysteresis is examined by use of the 1-dimensional transport model equations. Three mechanisms for the bipolar losses, i.e., the loss cone loss, collisional bulk viscosity loss of ions and the anomalous loss are simultaneously retained. Five-fold multiple bifurcations are found to exist at the plasma edge, similar to the previous 0-dimensional study. Double hysteresis causes a self-generated oscillation, which is attributed to the compound dither, a kind of ELMs. Spatio-temporal evolution of the compound dither is analyzed. (author)

International Nuclear Information System (INIS)

The structural instability in high temperature A-15 superconductors is examined from a phenomenological, Landau theoretic point of view, based on the picture of an electronically driven lattice instability. emphasis is given to lattice properties--in particular, the extended softening of phonons in k-pace and phonon linewidth. Implications of the extended softening on the microscopic picture of the transition, and the interplay between structural and superconducting instabilities in the A-15 compounds are discussed.

International Nuclear Information System (INIS)

Methanosarcina thermophila, a nonmarine methanogenic archaebacterium, can grow in a range of saline concentrations. At less than 0.4 M NaCl, Ms. thermophila accumulated glutamate in response to increasing osmotic stress. At greater than 0.4 M NaCl, this organism synthesized a modified #beta#-amino acid that was identified as N"v"a"r"-"e"p"s"i"l"o"n-acetyl-#beta#-lysine by NMR spectroscopy and ion-exchange HPLC. This #beta#-amino acid derivative accumulated to high intracellular concentrations (up to 0.6 M) in Ms. thermophila and in another methanogen examined - Methanogenium cariaci, a marine species. The compound has features that are characteristic of a compatible solute: it is neutrally charged at physiological pH and it is highly soluble. When the cells were grown in the presence of exogenous glycine betaine, a physiological pH and it is highly soluble. When the cells were grown in the presence of exogenous glycine ...

Energy Technology Data Exchange (ETDEWEB)

The preparation, crystal structure, and the electrical properties of the compound (ET)/sub 3/Ag/sub x/I/sub 8/ where x = approx. 6.4 and ET is bis(ethylenedithio)tetrathiafulvalene, C/sub 10/S/sub 8/H/sub 8/, are described. The compound possesses a truly two-dimensional polymeric anion, one which combines the structural features of both an organic electronic conductor and an inorganic solid electrolyte. The crystal structure consists of alternating anion and cation donor layers. The compound exhibits high electronic conductivity dominated by the electronic contribution, at least near room temperature.

Energy Technology Data Exchange (ETDEWEB)

The crystallization of calcium sulfate from aqueous solutions with NaCl is both geological and industrial interest because NaCl is the dominant solute in natural brines and many industrial fluids. Induction periods for the nucleation of calcium sulfate dihydrate were experimentally determined as a function of supersaturation in NaCl solutions from 0 to 6 m at 25 C and in 3.0-m NaCl solutions at temperatures from 25 to 90 C. Using classic nucleation theory, the interfacial tension between gypsum and 3.0-m NaCl solution was estimated to be about 39 mJ/m[sup 2] at 25 C and increases with increasing temperature (to 63 mJ/m[sup 2] at 90 C). It was observed that the induction period decreases with increasing NaCl concentrations up to 3 m and then starts to increase slightly at a given temperature and saturation state. The electrolyte effect on nucleation was ...

International Nuclear Information System (INIS)

Aim: Compounds such "9"9"mTc-MDP and "9"9"mTc-HEDP are used regularly in bone scintigraphy for metastasis detection. The therapeutics properties of beta emitter radionuclides like "1"5"3Sm, "1"6"6Ho and "1"7"7Lu has been widely reported in literature being "1"7"7Lu the less developed for medical applications. With the purpose of study different radiopharmaceuticals alternatives, for metastasis bone palliation, we have evaluated, on a comparative basis, the labeling of "1"5"3Sm-MDP, "1"5"3Sm-HEDP, "1"6"6Ho-MDP, "1"6"6Ho-HEDP, "1"7"7Lu-MDP and "1"7"7Lu-HEDP from the exhibited radionuclidic purity and biological distribution point of view. Material and Methods: The radionuclides were produced at La Reina Research Reactor, Chilean Nuclear Energy Commission. The radionuclidic purity was determined by gamma-Ray spectrometry. The labeling was accomplished with MDP (Plenum) and HEDP synthesized in-house. The in-vitro affinity of labeled compounds to ...

International Nuclear Information System (INIS)

The structural, electronic and optical properties of ZnX and CdX (X = Se, Te and S) are studied using density functional theory by the Wien2k package. The energy band gap, real and imaginary parts of the dielectric function, energy loss function, optical absorption coefficient and reflectivity spectra of these compounds are calculated. The Engel-Vosko approach improves the energy band gaps of ZnX and CdX compounds. The calculated optical parameters are in good agreement with available experimental results, particularly in the Engel-Vosko approach. Furthermore the effect of hydrostatic pressure on the energy band gap, the real and imaginary parts of the dielectric function of these compounds is studied. The first and second order pressure coefficient for the energy band gaps, the static dielectric function and the static reflectivity spectra are calculated.

International Nuclear Information System (INIS)

The nine title compounds were prepared from the elements by arc-melting and subsequent heat treatment in resistance and high-frequency furnaces. The crystal structure of these isotypic compounds was determined for YPdSi from single-crystal X-ray diffractometer data: Pmmn, a = 430.8(1) pm, b = 1391.2(1) pm, c = 743.1(1) pm, Z = 8, R = 0.024 for 417 structure factors and 40 variable parameters. The crystal structures of the isotypic compounds GdPdSi and ErPdSi were also refined from single-crystal data. The structure is of a new type. It consists of condensed, six-membered rings of alternating palladium and silicon atoms with Pd-Si bond distances varying between 249.6 and 258.8 pm. These two-dimensionally infinite nets are connected to each other via weak Pd-Si and Si-Si bonds with bond distances of 276.3 and 259.5 pm. The rare earth atoms are ...

International Nuclear Information System (INIS)

New rare earth metal rich cadmium compounds RE_4CoCd and RE_4RhCd (RE = Tb, Dy, Ho) were prepared by high-frequency melting of the elements in sealed tantalum tubes. The samples were studied by x-ray powder and single-crystal diffraction. All the compounds crystallize with Gd_4RhIn-type structure, with space group F4-bar3m. The structures are built up from rigid three-dimensional networks of condensed, cobalt (rhodium) centred trigonal RE_6 prisms. The voids left by these networks are filled by Cd_4 cluster units and the coordination number 14 polyhedra of the RE1 atoms. The terbium and dysprosium compounds in both series undergo antiferromagnetic ordering, whereas the holmium compounds exhibit ferromagnetic ordering. The magnetic ordering in these compounds is characterized by broad peaks around the transition temperatures. The results of ...

Energy Technology Data Exchange (ETDEWEB)

The potentiodynamic polarization measurement of 254SMO stainless steel (UNS 31254) was conducted in 3.5% NaCl solutions with pH ranging from 0.1 to 5. The results indicated that this stainless steel offered excellent pitting corrosion resistance in corrosive environments. Further, it also exhibited various features on the polarization curves in different pH solutions. The electrochemical constant-potential passivation treatment performed at different pH followed by XPS analysis revealed that the primary constituents of the outermost layer of the passive films formed in the weak (pH 5) and strong (pH 0.8) acid solutions are iron oxides and Cr{sub 2}O{sub 3} and Cr(OH){sub 3}, respectively. Molybdenum oxides, primarily in the six-valence state, existed in the outermost layer of the passive film. Only very weak signals corresponding to that of nickel oxides were detected in the film formed in the weak acid (pH 5) solution. The ICP-MS analyses indicated selective ...

Science.gov (United States)

The X-point linear chain model for electronic structure of A-15 compounds is shown to lead to a weakly temperature dependent magnetic susceptibility ?(T) = 3micro2?N(0) tanh (?~ / T) is serious disagreement with experiment. Supported in part by NSF-DMR76-20641; AROD-DAHCO4-75-G-0052; and FRAP-CUNY 11453.

International Nuclear Information System (INIS)

It is shown that both the Tsub(c) and Tsub(m) dependences on the deformations and composition for the A-15 compounds can be described at least qualitatively in the quasi-one-dimensional model developed by the authors previously. The mechanism for the superconductivity is supposed to be the same as in the BCS theory. The upper critical field near Tsub(c) is obtained. (author).

International Nuclear Information System (INIS)

In this thesis the results are described of an investigation into the radiationless transfer of electronic excitation energies in various Eu"3"+ and Tb"3"+ compounds, which show structural peculiarities in the rare-earth sublattice. These peculiarities are an one-dimensional sublattice as well as two different crystallographic locations for the rare-earth ion. 154 refs.; 43 figs.; 12 tabs.

UK PubMed Central (United Kingdom)

High reactivity toward α-chymotrypsin is observed for derivatives of β-arylpropionic acids of varied structure—L-α-acylamido compounds, D-cyclized compounds, and, now,...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The structural and electronic properties of the A-15 compounds Nb{sub 3}Rh and Nb{sub 3}Ir were studied by means of escalar relativistic full-potential linearized augmented-plane wave (FP-LAPW) calculations with generalized gradient corrections. An investigation of the band structure of the hypothetical Nb{sub 3}Nb compound was also performed at the theoretical equilibrium lattice constant to ascertain the contribution of the nontransition elements on the B site in these A{sub 3}B-type compounds. Band structures and total densities of states were obtained. A rough estimate of the electron-phonon coupling parameter {lambda} as well as of the electronic specific-heat coefficient {gamma} were obtained for both Nb{sub 3}Rh and Nb{sub 3}Nb, which confirms that this latter is a low-temperature superconductor with T{sub c} - 10K.

UK PubMed Central (United Kingdom)

Electronic and structural properties of antiphase boundaries in group III-V semiconductor compounds have been receiving increased attention due to the potential to integration of optically-active III-V...Full Text Available

UK PubMed Central (United Kingdom)

Despite their structural resemblance, a pair of cyclic halogenated compounds, 1-chloro-1,2,2-trifluorocyclobutane (F3) and 1,2-dichlorohexafluorocyclobutane (F6), exhibit completely different anesthetic...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The electronic structure of the clusters (V/sub 3/Si/sub 4/)/sup 12 -/, (Nb/sub 3/Sn/sub 4/)/sup 12 -/(Mo/sub 3/Ge/sub 4/)/sup 15 -/ in crystalline V/sub 3/Si, Nb/sub 3/Sn, Mo/sub 3/Ge compounds is calculated by the Extended Hueckel method. The influence of different types of radiation induced defects on the density of states at the Fermi level (the anti-site defects, the displacement of atoms in linear chains, the vacancy-interstitial type defects) is considered.

International Nuclear Information System (INIS)

The critical superconducting paramters of A-15 compounds are reviewed, and the trends analysed in order to predict maximum values. Experimental data on critical temperature is summarized and compared with theory. The ability to form the stoichiometric, well-ordered materials required for maximum Tsub(c) is discussed in terms of the thermodynamic stability of the A-15 phase. It is concluded that critical temperatures in excess of 25 K, in the A-15 structure, are unlikely. The upper critical field data show that, whereas the vanadium-based compounds are paramagnetically limited, the niobium-based compounds are not. The relation between critical current and microstructure is explored. Best data on critical current densities and ac losses is presented. Finally an account is given of the various methods by which actual conductors, both tapes and multifilamentary wires, are made. (author).

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To establish a relationship between the molecular structure of polycarboxylates and their growth-retarding influence on barium sulfate, seeded-suspension-growth experiments were performed at various inhibitor concentrations and pH values. Two types of polycarboxylates with a molecular structure based on their polyacrylic or maleic acid were studied. The molecular structure of these compounds were varied by particle substitution with monomers containing hydroxyl, amide, and sulfonic acid, as well as hydrophobic groups. Hydrophobic groups are detrimental to good inhibitor performance, whereas the introduction of OH, NH {sub 2}, or SO {sub 3} H groups presents opportunities to enhance the inhibitor effectiveness. The sequence in performance of the compounds on barium sulfate was compared with the sequence formerly obtained for calcium sulfate dihydrate.

Energy Technology Data Exchange (ETDEWEB)

In developing new Tc-99m brain perfusion imaging agents for SPECT, a series of BAT (bis-aminoethanethiol) derivatives was prepared. These N/sub 2/S/sub 2/ ligands formed stable and neutral complexes with reduced Tc-99m, either by Sn(II)-PPi or sodium borohydride reduction. The purity of the Tc-99m complexes was >95% (HPLC reverse-phase column, acetonitrile: pH 7.0 buffer, 85:15). The biodistribution in rats was evaluated using I-125 iodoantipyrine (IAP), a free diffusible tracer, as the internal reference. Compounds with a free hydroxyl group (I and IV) showed lower brain uptake, inspite of high P.C.; this may be related to in vivo instability of the complexes. High initial brain uptake was observed for three compounds (II, III and V), however, only compound V (P.C.=384) showed significant brain retention. Planar imaging with compound V in a monkey demonstrated that the compound ...

British Library Electronic Table of Contents (United Kingdom)

The parmbsc0 force field was applied to study in detail the binding of netropsin, at a salt concentration of 0.28M Na^+, to the minor groove of an 8-mer (5'CCAATTGG)2 DNA duplex forming a netropsin.DNA complex which previously has been characterized by X-ray crystallography, albeit with the use of closely related DNA duplexes. The X-ray structure revealed that the terminal guanidinium and amidinium groups of netropsin interact with the extreme ends of the palindromic AATT sequence of the receptor DNA. The parmbsc0 parameters of B-DNA and AMBER v9 parameters of netropsin generated a stable 6ns molecular dynamics (MD) trajectory for a 1:1 class I binding motif of this complex. Trajectory analysis for the salt and hydration effects on the binding of netropsin to the 8-mer DNA duplex revealed ...

Energy Technology Data Exchange (ETDEWEB)

The results of X-ray and neutron diffraction experiments on molten alkali halides in which some data of our experiments by X-ray diffraction such as those of molten LiCl, NaCl, KCl, LiBr and KBr are included were summarized. The first peak positions in the radial distribution function in molten alkali halides by X-ray or neutron diffraction experiments are always longer than those by computer simulations and the differences of 0.1 -- 0.3 A exceed the experimental error. It seems to be due to the deformation of the electron shell. In the computer simulation, the shell model which has the spherical deformation was expected to have a closer value of the first peak position to the experimental one than the rigid ion model by taking the polarization of ions. However, no change in the first peak position was found. Therefore, the non-spherical deformation of electron shell at the point where ions are in contact with each other has to be taken into account. The neutron ...

Energy Technology Data Exchange (ETDEWEB)

Using a series of polycations synthesized by atom transfer radical polymerization (ATRP), we investigate the effects of the polymer charge density and hydrophobicity on salt-induced interdiffusion of polymer layers within polyelectrolyte multilayer (PEM) films. Polycations with two distinct hydrophobicities and various quaternization degrees (QPDMA and QPDEA) were derived from parent polymers of matched molecular weights poly(2-(dimethylamino)ethyl methacrylate) (PDMA) and poly(2-(diethylamino)ethyl methacrylate) (PDEA) by quaternization with either methyl or ethyl sulfate. Multilayers of these polycations with polystyrene sulfonate (PSS) were assembled in low-salt conditions, and annealed in NaCl solutions to induce layer intermixing. As revealed by neutron reflectometry (NR), polycations with lower charge density resulted in a faster decay of film structure with distance from the substrate. Interestingly, when comparing polymer mobility in ...

Energy Technology Data Exchange (ETDEWEB)

By magnetron sputtering model steel films with specific properties can be prepared for purposive surveys. By changing the deposition parameters certain properties of these films can be influenced. For this thesis steel films with 18% Cr and 8% Ni have been prepared in order to study specific parameters on the corrosion resistance of bulk stainless steel. Chemical composition, microstructure, and surface morphology of these films have been characterized. In comparison to bulk steel sheets with the same chemical composition they have a smaller grain size and a ferritic structure. In contrast to bulk steel sheets they don`t contain any nonmetallic inclusions like Mn-sulfides. The influence of these structural differences on the corrosion resistance has been studied. For this purpose the electrochemical properties of the sputter-deposited steels have been compared with the properties of steel sheets with a similar chemical composition (DIN 1.4301, ...

International Nuclear Information System (INIS)

It is shown that the extended softening in k space of the [111] transverse acoustic phonon in Nb_3Sn seen recently by neutron measurements is in agreement with the predictions of a phenomenological Landau description of the structural phase transition in the A-15 compounds. This indicates the feasibility of a calculation of the partial phonon density of states of modes directly coupled to the order parameter driving the structural transition, as a function of temperature.

Energy Technology Data Exchange (ETDEWEB)

The ErNi{sub 1-} {sub x} Cu {sub x} Al compounds crystallize all in the hexagonal ZrNiAl-type structure. The concentration dependence of lattice constants shows a discontinuity between x=0.5 and 0.6. This structural change has no primary impact on the magnetic order in this series, but influences the crystal field. The lower part of the crystal-field energy-level schemes has been estimated from the specific-heat data.

Energy Technology Data Exchange (ETDEWEB)

This experiment is carried out in the series of the investigation on the damage mechanism of carbon steel. In this paper, the damage situation is considered by structure observations. The test were carried out in 600degC-1200degC temperature range, in blowing an argon gas. The reagents are Na{sub 2}O, Na{sub 2}O{sub 2} and NaOH. From structure observations, the holes are observed on the surface of iron-base material in some test conditions. This result is indicated that the selective reaction occurs. The selective reaction is more obvious as the time exposed to the high temperature is longer. It is considered that the selective reaction occurs after the chemical reaction between iron-base material and sodium compound. The areas, in which Mn-concentration is higher, are observed in products on the surface of specimen. (author)

Energy Technology Data Exchange (ETDEWEB)

In this paper, bond cleavage reactions are discussed in relation to the softening and solubilization of coal. Were used 9,10-dihydroanthracene (DHA) and 9,10-dihydrophenanthrene (DHP) as models of hydrogen donating compounds in coal, and bibenzyl, 1,2-diethane, benzylphenylether, and 1,5-dibenzylnaphthalene were used as models of bridge structure compounds. They were compared mutually, as to reactivity of coal against DHA and DHP. For the homolytic cleavage of bridges, DHA with excellent radical supplement performance provided excellent hydrogen donating performance. While, for the ipso-position cleavage of bridges, it was found that DHP can act as an effective hydrogen donor. For the reaction between coal and hydrogenated aromatic compounds, cleavage of relatively weak bonds, such as ether linkage and dimethylene linkage, occurred at about 380{degree}C, and hydrogen from DHA or DHP was consumed. On the ...

International Nuclear Information System (INIS)

The crystal structure of borophosphates ABPO_5 (A = alkaline earth or Pb) was resolved on a polycrystalline sample using the Rietveld method. The x-ray diffraction patterns data show that ABPO_5 crystallize in a centrosymmetric space group P3_121 and their structure is related to the borogermanates REBGeO_5 with a stillwellite-type structure. Pr"3"+ ion was used as a local structural probe to corroborate the structural resolution results. Absorption and fluorescence spectra of A_1_-_xPr_xBP_1_-_xGe_xO_5 (A alkaline earth or Pb; x = 0.05) have been investigated at different temperatures. At 9 K the 3"H_4#->#"3P_0 transition of trivalent praseodymium ion (4f"2 configuration) is observed as a single line. This indicates a unique crystallographic site for the rare earth ion in these compounds replacing the divalent cation. Energy level schemes were deduced from ...

International Nuclear Information System (INIS)

It is pointed out that a recently claimed result regarding the removal of sharp structure in the electronic density of states N(E) of A-15 superconducting compounds at T approximately equal to Tsub(c) was in fact, shown earlier by one of the present authors (M.N.M.). Merely the variation of N(E) with energy in the vicinity of the Fermi level in these materials cannot explain their anomalous normal state properties and high values of lambda and Tsub(c). Rather a non-varying N(E) accompanied by phonon softening is in better agreement with experiment. (author).

International Nuclear Information System (INIS)

Experimental investigation data are systematized of free radical states and processes in irradiated proteins. The investigation is performed by the radiospectral methods. Results are discussed in detail of the study of free radicals electronic structure of amino acids, peptides and proteins formed by the action of ionizing radiation. The specificity is stressed of the study of monocrystalls of these compounds by the method of electronic paramagnetic resonance. The nature is also studied of primary centres formed under the effect of radiation on biologically important compounds and their subsequent reactions in solid and liquid solutions. Ion-radical states of different functional groups of the protein molecule are studied. Prospects of the study and the role of anion-radicals in biological processes are discusses.

International Nuclear Information System (INIS)

The experimental results of the components substitution effect on crystal structure, electronic transport properties, and Eu effective valence in solid solutions based on EuCu_2Si_2 and EuPd_2Si_2 ternary compounds are presented. It is shown, that when the Eu effective valence reaches the critical value #nu#"c"r_e_f_f=2.1, corresponding to degeneration of the 4f"7 and 4f"6 configurations, the condition of the concentrated Kondo system and an essential perturbation of the band electron spectrum near the Fermi level occur. (orig.).

International Nuclear Information System (INIS)

The composite wave variational version of the APW (augmented plane wave) method is used to obtain the electronic band structure of the compounds boron phosphide and boron arsenide at the high symmetry points #GAMMA#, X, and L. The tight binding interpolation scheme of Slater and Koster is used to calculate the rest of the band structure. The results show that both these materials are indirect band gap semiconductors. The density of states, and the imaginary part of the dielectric constant is also calculated. The theoretical results are compared with the reported experimental and theoretical data. (author).

International Nuclear Information System (INIS)

The influence of 3d-transition metal impurities on the superconducting properties of the A-15 compounds V_3Si and V_3Ga have been investigated. In the case of V_3Si, the Fe impurities replacing V were found to have a local moment. A compensation effect was found in this case, resulting in a 20KOe increase in the upper critical field at dilute concentrations of Fe. It was demonstrated that long range order V_3Ga possessed higher transition temperature and upper critical field than found hitherto. Investigations on Nb_3Ge/sub 1-x/Ga/sub x/ films obtained by chemical vapor deposition has clearly shown the relation between the transition temperature and structural characteristics. The influence of generalized defects on the superconducting properties in A-15 type Nb_3X compounds has been discussed.

International Nuclear Information System (INIS)

The magnetization of a series of intermetallic compounds Au_3R, where R is Gd through Yb, was investigated at 2.5 to 300"0K in applied fields up to 26 kOe. All the compounds studied exhibited the orthorhombic TiCu_3--Do/sub a/ type structure. For high temperatures, the temperature dependence of the inverse susceptibility followed a Curie--Weiss law, yielding effective paramagnetic moments in good agreement with the values calculated for free tripositive rare earth ions. At low temperatures, deviations from Curie--Weiss behavior were observed in all cases. These deviations are ascribed to the influence of crystal-field and exchange interactions. (auth).

Science.gov (United States)

General expressions for the interlattice displacements of the A-15 structure compounds are obtained in terms of the strain components making use of the deformation theory. The nature of the interlattice displacements of all the 8 atoms in the unit cell is discussed. It is found that the interlattice displacements occur in such a way that the pair of atoms along any linear chain move in opposite directions with equal magnitudes. Expression for the strain energy of these compounds is developed using deformation theory and this is compared with the strain energy expression from continuum theory to obtain the elastic constants. The theoretical values of the elastic constants fairly agree with the experimental values for V3Si, V3Ge and Nb3Sn.

International Nuclear Information System (INIS)

AISI 5140 steel was plasma nitrided at various gas mixtures of nitrogen, hydrogen, and argon to investigate the actions of hydrogen and argon on plasma nitriding. The structural and mechanical properties of ion-nitrided AISI 5140 steel have been assessed by evaluating composition of phases, surface hardness, compound layer thickness, and case depth by using X-ray diffraction (XRD), microhardness tests, and scanning electron microscopy (SEM). It was found that the growth of compound layer can be controlled and the diffusion improved when the gas mixture includes H_2 gas. Additionally, it was determined that the amount of Ar in dual gas mixture must be at 20% minimum to obtain distinctive surface hardness and compound layer thickness.

International Nuclear Information System (INIS)

The sol-gel-immobilized Tris(2,2'-bipyridyl)ruthenium(II) [Ru(bpy)_3 "2"+] electrogenerated chemiluminescence (ECL) sensor was applied to the reversed-phase high-performance liquid chromatography (HPLC) determination of phenothiazine derivatives (promazine, chlorpromazine, triflupromazine, thioridazine, and trifluoperazine) and erythromycin in human urine samples. In this method, Ru(bpy)_3 "2"+ was immobilized in sol-gel-derived titania (TiO_2)-Nafion nanocomposite films coated on a dual platinum electrode. This method eliminates an extra pump needed for the delivery of Ru(bpy)_3 "2"+ reagent into a reaction/observation zone in front of photomultiplier tube because the immobilized-Ru(bpy)_3 "2"+ is recycled on the electrode surface by an applied potential at +1.3 V versus Ag/AgCl (3 M NaCl) reference electrode. The resulting analytical performances such as detection limit, working range, sensitivity, and measurement precision were slightly worse than those obtained ...

Energy Technology Data Exchange (ETDEWEB)

Dose-dependent behavior of the infrared stimulated luminescence (IRSL) decay from NaCl has been studied experimentally using only one aliquot irradiated with a range of 2-200 Gy {beta}-radiation doses. It was observed that the maximum IRSL intensity has not changed by an increase in dose though the total intensity increased as expected. Considering the possible implications of our findings for dosimeter, the results were compared with the other studies and discussed.

Energy Technology Data Exchange (ETDEWEB)

Neurodegeneration observed in Alzheimer disease (AD) is believed to be related to the toxicity from reactive oxygen species (ROS) produced in the brain by the amyloid-{beta} (A{beta}) protein bound primarily to copper ions. The evidence for an oxidative stress role of A{beta}-Cu redox chemistry is still incomplete. Details of the copper binding site in A{beta} may be critical to the etiology of AD. Here we present the structure determined by combining x-ray absorption spectroscopy (XAS) and density functional theory analysis of A{beta} peptides complexed with Cu{sup 2+} in solution under a range of buffer conditions. Phosphate-buffered saline buffer salt (NaCl) concentration does not affect the high-affinity copper binding mode but alters the second coordination sphere. The XAS spectra for truncated and full-length A{beta}-Cu{sup 2+} peptides are similar. The novel distorted six-coordinated (3N3O) geometry around copper in the A{beta}-Cu{sup ...

Energy Technology Data Exchange (ETDEWEB)

In this paper, the influence of plasma nitriding at temperature 720 deg. C for 20 h on the surface microstructure and interface microstructure of electroplated chromium coating was investigated. In these conditions, interdiffusion, mixing and reaction phenomena of elements originating from the substrate and coating material are more likely to occur, thus increasing the bonding strength between the coating and carbon steel substrate. The change of the structures from the substrate side to the coating surface, and the effect of the substrate steel on the interface structure were studied by cross-sectional transmission electron microscope observation (XTEM). The nitride layer formed on the surface was analyzed by X-ray diffraction method (XRD). After treatment at above conditions a 6-7 {mu}m thick nitride compound layer was formed in surface region and the same thick carbide compound layer was also formed ...

Energy Technology Data Exchange (ETDEWEB)

Development of useful high-critical-temperature (high-{Tc}) superconductors requires synthesis of superconducting compounds; fabrication of wires, tapes, and films from these compounds; production of composite structures that incorporate stabilizers or insulators; and design and testing of efficient components. This report describes technical progress of research and development efforts aimed at producing superconducting components based on the Y-Ba-Cu, Bi-Sr-Ca-Cu, Bi-Pb-Sr-Ca-Cu, and Tl-Ba-Ca-Cu oxides systems. Topics discussed are synthesis and heat treatment of high-{Tc} superconductors, formation of monolithic and composite wires and tapes, superconductor/metal connectors, characterization of structures and superconducting and mechanical properties, and fabrication and properties of thin films. Collaborations with industry and academia are also documented. 10 figs.

International Nuclear Information System (INIS)

The influence of irradiation with 2.6 MeV H and He nuclei on the superconducting properties (critical temperature Tsub(c), critical current Isub(c)) of the intermetallic compound Nb_3Sn was studied. Irradiation led to a significant lowering of Tsub(c), while Isub(c) is increasing with the radiation dose. This is assumed to be due to the formation of active pinning centres in the lattice. There is a fast drop of Isub(c) after a peak value has been reached. Annealing of the samples (600-1,000"0C) led to an almost complete recovery of the initial value of Tsub(c). X-ray diffraction showed that irradiation causes considerable distortions of the lattice while the A15 crystal structure is retained. The causes of the radiation effects related to structural defects are discussed. (GSCH).

Energy Technology Data Exchange (ETDEWEB)

Experimental data on A-15 binary phases (the lattice parameter dependence on composition, phase diagrams, etc.) have been considered and the so-called ''compounds with A-15 structure'' are shown to be solid solutions of element substitution in the structure of A-15 type. Values of lattice parameter and atomic volume of A-15 modifications for 21 elements have been obtained (for Zr, W, Nb, Mo, V in particular). There has been shown the possibility of calculation of atomic volumes and lattice parameters of A-15 binary phases at the lack of direct experimental data. The essential role of atomic volume relations of different phases has been observed for the estimation of stability conditions of A-15 phase.

International Nuclear Information System (INIS)

Austenitic stainless steel AISI 304 has been nitrided by radio frequency (rf) plasma containing various nitrogen-hydrogen gas mixtures, in order to study the effect of hydrogen on structure and magnetic properties of the formed compound layer. The thermal temperature has been measured at the vicinity of the samples. The compound layer thus produced has been characterized using, X-ray diffractometer and vibration sample magnetometer. Providing the total pressure of nitrogen and hydrogen is held constant, the addition of hydrogen up to 50% gives new structural phases. The magnetization values of the plasma treated samples are strongly dependent on the percentage of H_2 in the gas phase. An excessive amount of hydrogen (#approx#75%) on the other hand, retards the nitriding process. The surface temperature of the sample and plasma condition is crucial factors for nitriding process.

Science.gov (United States)

It is now over 30 yr since the original discovery was made that acetylenic compounds are effective in inhibiting the corrosion of iron in acid media. Since then, the industrial practice of oil-well acidizing has become well-established, with key acetylenic compounds such as propargyl alcohol, hexynol, and ethyl octynol assuming increasingly important roles. New and more stable triple-bonded compounds properly formulated and synergized with nitrogen compounds are expected to be used more extensively as temperature, stability, and performance requirements increase. An evaluation is made of the structural features which enhance or limit the corrosion performance of a given acetylenic. New data involving mixtures of acetylenics, hydrogen-bonded complexes, and the use of new nitrogen synergists are covered also. Tabular data at 200/sup 0/F approximate the more strenuous conditions of an ...

British Library Electronic Table of Contents (United Kingdom)

Bioassay-guided fractionation of the EtOH extract of licorice (Glycyrrhiza glabra roots), using a GAL-4-PPAR-g chimera assay method, resulted in the isolation of 39 phenolics, including 10 new compounds (1-10). The structures of the new compounds were determined by analysis of their spectroscopic data. Among the isolated compounds, 5prime-formylglabridin (5), (2R,3R)-3,4prime,7-trihydroxy-3prime-prenylflavane (7), echinatin, (3R)-2prime,3prime,7-trihydroxy-4prime-methoxyisoflavan, kanzonol X, kanzonol W, shinpterocarpin, licoflavanone A, glabrol, shinflavanone, gancaonin L, and glabrone all exhibited significant PPAR-g ligand-binding activity. The activity of these compounds at a sample concentration of 10mg/mL was three times more potent than that of 0.5mM troglitazone.

Energy Technology Data Exchange (ETDEWEB)

The electronic structures of platinum group elements (Ru, Os, Rh, Ir, Pd, and Pt) silicides have been calculated. Ir{sub 3}Si{sub 5} is a semiconductor with the direct gap of 1.14 eV. Among monosilicides, RuSi and OsSi with the FeSi-type structure are semiconductors with the gap values of 0.21 and 0.41 eV but RhSi, IrSi, PdSi, and PtSi with the MnP-type structure are metals. No semiconducting compounds can be found in other platinum group elements silicides other than known Ru{sub 2}Si{sub 3}, Os{sub 2}Si{sub 3}, and OsSi{sub 2}.

Energy Technology Data Exchange (ETDEWEB)

The structure of ammonium azide (NH{sub 4})N{sub 3} was (re-)determined ab initio from x-ray powder diffraction experiment using synchrotron radiation. We tried to detail and comment the different steps involved in the structure determination. The compound crystallize in the orthorhombic Pmna space group (no.53) with a = 8.937(1) A, b= 3.8070(5) A, c = 8.664(1) A, V = 294.79(7) A{sup 3}; Z= 4. It was possible to locate and refine the hydrogen coordinates, in two different approaches, and to establish the H-bonds. The final structural parameters are in good agreement with previous results based on three-dimensional neutron diffraction. (Author)

International Nuclear Information System (INIS)

In this work we study the structural and electronic properties of Be chalcogenides (BeS, BeSe and BeTe) using two different methods: the full-potential linear augmented-plane wave (FP-LAPW) and the plane-wave pseudopotential (PPsPW). The exchange-correlation effects are treated in the local-density approximation (LDA) and the generalized-gradient approximation (GGA). We have evaluated the ground-state quantities such as equilibrium volume, bulk modulus and its pressure derivative as well as the elastic constants. Various structural phase transitions were considered here in order to confirm the most stable structure and to predict the phase transition under hydrostatic pressure. In addition we have studied the band structure and the density of states, which show a wide indirect band gap for these compounds. These results were in favourable agreement with previous theoretical works ...

Energy Technology Data Exchange (ETDEWEB)

Based on techniques of organic solvent extraction and a thermal model experiments of coal-related hydrocarbon, the variation of coal structure and the character of deformed coal-related hydrocarbons were studied when the coal seam at Piagdingshan mine, China was modified by tectonic stress. The results show that the extraction ratio by n-hexane and benzene from the deformed coal approaches that form normal coal, but the extraction ratio by chloroform from the deformed coal is two times more than that from normal coal. The deformed coal has higher solvable low-molecular weight compounds than normal coal. The intermolecular force of deformed coal is relatively small. The deformed coal has low strength and high adsorption capacity, and these determine the outbreak of coal-gas outburst. The extraction yields by chloroform can be taken as an index of forecast risks of coal-gas outburst. The potentially of generating hydrocarbon from the deformed ...

International Nuclear Information System (INIS)

We report the results of neutron-diffraction experiments on CeM_2Si_2 (M = Ag,Au,Pd,Rh) which were performed to explore the role of valence fluctuations and 4f hybridization in the magnetic ordering of cerium compounds. All four order antiferromagnetically, the first three exhibiting structures consisting of ferromagnetic layers with moments perpendicular to the layers, which are believed to be characteristic of 4f-4f interactions mediated through hybridization with conduction electrons. CePd_2Si_2 has an anomalously small moment (0.62#mu#/sub B/) in the ordered state. CeAg_2Si_2 exhibits an incommensurate longitudinal, static magnetization wave with moment and propagation direction along the a axis. The fourth compound, CeRh_2Si_2, has the highest known transition temperature (39 K) reported for cerium ordering; it exhibits another second-order transition at 27 K to a complex commensurate structure ...

Energy Technology Data Exchange (ETDEWEB)

DC resistivity, dc magnetization, and specific heat of eight Sc{sub 5}Co{sub 4}Ge{sub 10}-type crystal-structure compounds R{sub 5}T{sub 4}Ge{sub 10} for R = Dy, Ho, Er, Tm, and T = Rh and Ir are presented. The resistivity, single-crystal magnetization, and specific-heat results show that in all those compounds, the magnetic moments order antiferromagnetically in the c direction at low temperature. However, in the Er and Tm compounds, the magnetizations along x-y hard directions do not show any anomalies above 2.0 K. This suggests that the ordered Er and Tm ions, which have positive quadrupole coefficients, interact with a crystal field that has an electronic potential valley along the c axis. The fitting of the hard axis magnetizations to Curie-Weiss law suggests that the resulting antiferromagnetic-like {theta} reflects the strength of the crystal-field torque on the magnetic moments rather than the ...

International Nuclear Information System (INIS)

The luminescence spectra of trivalent europium ion embedded in various rare earth chromates were analysed. The spectroscopic data in most of chromates are in agreement with the structural determination but for some others the discrepancy between two methods is underlined. Energy level schemes were deducted from the experimental emission spectra and the crystal field simulation has been performed. The maximum splitting of the "7F_1 manifold of the Eu"3"+ ion as a function of N_v, the so-called crystal field strength parameter, is given. This allows us to classify the compounds according to their crystal field extent. (author)

International Nuclear Information System (INIS)

This report provides a summary of theoretical and experimental studies of actinide spectra in condensed phases. Much of the work was accomplished at Argonne National Laboratory, but references to related investigations by others are included. Spectroscopic studies of the trivlent actinides are emphasized, as is the use of energy level parameters, evaluated from experimental data, to investigate systematic trends in electronic structure and other properties. Some reference is made to correlations with atomic spectra, as well as with spectra of the (II), (IV), and higher valence states. 207 refs., 39 figs., 38 tabs.

British Library Electronic Table of Contents (United Kingdom)

We have successfully grown single crystalline Formula Not Shown with the range of Formula Not Shown using the floating-zone method. All compounds show orthorhombic symmetry in this substitution range, but the difference between lattice constants a and b decreases with increasing Sr concentration and becomes almost zero at Formula Not Shown . Characteristic temperatures, which correspond to antiferromagnetic ordering and structural transition, decrease with increasing Sr concentration. The value of the magnetic susceptibility below 30K increases with increasing Sr concentration. The temperature dependence of the electrical resistivity revealed that Sr substitution significantly suppresses the highly anisotropic electric structure of Formula Not Shown .

Energy Technology Data Exchange (ETDEWEB)

The characteristics of the temperature dependence of the upper critical magnetic field, Hc2(T), of structurally inhomogeneous superconductors (e.g., ternary molybdenum chalcogenides, A-15 compounds, transition metal alloys, and amorphous films) are investigated analytically. The MWGH equation for Hc2(T) is generalized to the case of weakly inhomogeneous systems with a characteristic inhomogeneity scale much smaller than the effective coherence length. It is shown that an increase in the dispersion of the diffusion coefficient leads to an increase in the slope and width of the linear section of the Hc2(T) curve. 11 references.

British Library Electronic Table of Contents (United Kingdom)

Abstract:- Brine solution injection of beef contaminated with-Escherichia coli-O157:H7 on its surface may lead to internalization of pathogen cells and/or cross-contamination of the brine, which when recirculated, may serve as a source of new product contamination. This study evaluated survival of-E. coli-O157:H7 in brines formulated without or with antimicrobials. The brines were formulated in sterile distilled water (simulating the composition of freshly prepared brines) or in a nonsterile 3% meat homogenate (simulating the composition of recirculating brines) at concentrations used to moisture-enhance meat to 110% of initial weight, as follows: sodium chloride (NaCl, 5.5%) + sodium tripolyphosphate (STP, 2.75%), NaCl + sodium pyrophosphate (2.75%), or NaCl + STP combined with potassium ...

International Nuclear Information System (INIS)

Methods of preparation, stability in solutions and in the solid phase, composition of orthophosphate crystallohydrates and condensed uranyl- and uranium (4) phosphates, are considered. Structures of these compounds are discussed; it is shown that they are steric polymers with an uranylphosphate framework. The problem of phosphate-anion polymerization in the process of thermal decomposition is discussed. It is established that condensed uranyl polyphosphates are not stable during storage, capable of degradation, its degree increasing with the phosphate chain length and uranium content.

Energy Technology Data Exchange (ETDEWEB)

Extracts from Helichrysum caespititium were found to have antimicrobial activity. Structure elucidation of the active compound, 2-(4-methylpentanoyl)-4-(3-methylbuten-2-yl)-phloroglucinol (caespitin), by means of spectroscopic and X-ray crystallographic analyses, is described.

Energy Technology Data Exchange (ETDEWEB)

Azobenzene dyes are effective inhibitors for austenitic 304 L and 316 L stainless steel corrosion in high acidic medium up to 7N. A good efficiency is obtained from weight loss and electrochemical Rsub(p) measurements in hydrochloric acid, while no inhibition is observed in sulfuric solutions. Transformation from the primarily azobenzene to other compounds give rise to enhanced protection of steel samples, and probable structures of the inhibiting species are proposed in view of our results.

UK PubMed Central (United Kingdom)

The structure of the title compound, Sr-bearing oxonitrido­aluminosilicate (Sr-sialon), contains two types of channels running along the a axis, with the three unique Sr atoms...Full Text Available

Science.gov (United States)

It is suggested that the large reduction of the superconducting transition temperature Tc due to defects observed experimentally in some A-15 compounds is caused by smearing of a high peak in the density of states at the Fermi level. The influence of defects on other physical properties (the magnetic susceptibility ?, the elastic modulus Cs, the structural transformation temperature Tm and the electrical resistivity ?) is also discussed from the same point of view. We expect the anomalous temperature dependence of ?, Cs and ? will be suppressed by defects.

Energy Technology Data Exchange (ETDEWEB)

Certain transition metal chalcogenides are promising materials for use as cathodes in nonaqueous lithium batteries involving the intercalation into these layered compounds. The electrochemical behavior of the chalcogenides depends on various properties such as structure, stoichiometry, electrical conductivity, crystal morphology, etc. The influence of these properties and of the ultimate practical application of the battery on the selection of cathode material is discussed. Battery performance of selected cathode materials is discussed and life limitations due to the limited cycle life of lithium anodes are outlined. 15 refs.

Science.gov (United States)

The new three-dimensional k.p model for the electronic structure of A-15 compounds gives satisfactory results for the magnetic susceptibility; shear modulus; tetragonal strain at the transition temperature Tm; and the magnetic field effect on Tm and shear mode sound velocity. Supported by NSF grant # DMR76-02043.

Energy Technology Data Exchange (ETDEWEB)

The kinetics of calcium sulfate crystal growth is of importance in various fields, such as geochemistry, desalination technology, petroleum industry, and water and wastewater treatment. The seeded crystal growth rate of calcium sulfate dihydrate was measured as a function of supersaturation in NaCl electrolyte solutions from 0 to 6 m at temperatures of 25, 50, 70, and 90 C. The growth followed a second-order parabolic rate law with activation energies greater than 53 kJ/mol which suggested the surface reaction as the rate-limiting step. It was observed that the rate constant and the activation energy are solution composition dependent. The rate constant increases with NaCl concentration up to 3 molal and then begins to fall slightly. The activation energy dropped from 61 kJ/mol in the pure Ca-SO[sub 4]H[sub 2]O system to 53 kJ/mol in 3.0 m NaCl solutions. The electrolyte effect was similar to the crystal solubility behavior ...

Energy Technology Data Exchange (ETDEWEB)

Short communication.

Science.gov (United States)

It is well known that contact with metals can be responsible for allergic contact dermatitis; also, there is experimental evidence that nickel ions are readily available on the surface of used coins containing nickel and copper. The aim of this study was to prove that metal powders of nickel (Ni), cobalt (Co) and chromium (Cr) dispersed in synthetic sweat are oxidised into respective ions that can permeate the skin. Suspensions of 5 g of metal powder (Ni, Co and Cr) in 100 mL of synthetic sweat at pH 6.5 were prepared and shaken with a stirring plate at room temperature for 30 min. Human skin membranes were set up in Franz-diffusion cells and 2 mL of the freshly made suspension were applied to the outer surface of the skin for 24h. The appearance of metal ions in the aqueous receptor phase (NaCl 0.9%) was quantified by Electro Thermal Atomic Absorption Spectroscopy (ETAAS). Also, metals ions were analysed using Differential Pulse Polarography (DDP), Differential ...

Energy Technology Data Exchange (ETDEWEB)

The retention indices of cycloalkenes and cycloalkadienes with C/sub 6/-C/sub 13/ rings are determined by gas-liquid chromatography (GLC) on glass capillary columns coated with OV-1 and Ucon LB 550X and by gas-solid chromatrography (GSC) on a microcolumn packed with uncoated graphitized thermal carbon black (GTCB). Structure-retention correlations are derived on using index differences such as H/sup OV/, H/sup GTCB/ and ..delta..I values, considering the differences in the stereochemistry of these compounds. It is shown that the combined application of index increments obtained in GLC and GSC provides more detaled structure informations. The value of the retention index units agree with the most stable conformations of the alicyclic compounds. The high value for the energy equivalent to an index unit (..delta..G/sub I.U./ = 4.18 kJ/mol) confirms that graphitized thermal carbon black causes much stronger ...

Energy Technology Data Exchange (ETDEWEB)

The electrochemical dissolution behaviour of armco-iron and of the steels C15, C45, C60 and 100Cr6 in concentrated sodium chloride media has been investigated. Anodic metal dissolution experiments have been carried out using the flow channel cell (parallel plate reactor), the rotating cylinder electrode (RCE) and the capillary cell. The microstructure of the steel has been varied through variation of carbon content and heat treatment (e.g. soft annealed with globular carbides or pearlitic). Current-efficiency values have been obtained by gravimetric measurements in the current-density range from i=5 to 60 A/cm{sup 2}. For the soft annealed steels, the divalent ferrite dissolution in combination with electroless cementite removal dominates. For the pearlitic steels, the occurrence of oxygen evolution electronically conductive metal carbides or trivalent ferrite dissolution, depending on the current density applied, was detected. Microstructure dependent potentiostatic current transients ...

International Nuclear Information System (INIS)

In order to investigate the role of amorphous SiO2 particles in corrosion and wear resistance of Ni-based metal matrix composite alloying layer, the amorphous nano-SiO2 particles reinforced Ni-based composite alloying layer has been prepared by double glow plasma alloying on AISI 316L stainless steel surface, where Ni/amorphous nano-SiO2 was firstly predeposited by brush plating. The composition and microstructure of the nano-SiO2 particles reinforced Ni-based composite alloying layer were analyzed by using SEM, TEM and XRD. The results indicated that the composite alloying layer consisted of ?-phase and amorphous nano-SiO2 particles, and under alloying temperature (1000 deg. C) condition, the nano-SiO2 particles were uniformly distributed in the alloying layer and still kept the amorphous structure. The corrosion resistance of composite alloying layer was investigated by an electrochemical method in 3.5%NaCl solution. Compared with single ...

International Nuclear Information System (INIS)

The concepts of ''fast'' and ''slow'' time scale valence measurements are emphasized by a comparison of L/sub III/ absorption and Mossbauer effect measurements on the temperature induced valence change in EuPd/sub 2/Si/sub 2/. Further the authors show how synchrotron radiation based L/sub III/ measurements of the Ce-valence state can be used to demonstrate electronic structure trends under wide changes in chemical environment. The purpose of this paper is to provide an introduction to researchers in the People's Republic of China to the field of mixed valent rate earth compounds. They hope to illustrate some of the basic concepts in this field, how the field is contributing to the overall insight into the chemical physics of solids and finally how synchrotron radiation measurements in particular are playing a key role in this field.

Science.gov (United States)

Two new triterpene glycosides, patagonicosides B and C (2 and 3, resp.), together with the known patagonicoside A (1), have been isolated from the EtOH extract of the sea cucumber Psolus patagonicus. The structures of the new compounds were established on the basis of extensive NMR spectroscopic analysis ((1)H- and (13)C-NMR, (1)H,(1)H-COSY, HMBC, HSQC, TOCSY, and NOESY), HR-ESI-MS data, and chemical transformations. Compounds 1-3 and their desulfated analogs showed antifungal activities against the phytopathogenic fungus Cladosporium cladosporoides in a dose-dependent fashion. PMID:21404430

Energy Technology Data Exchange (ETDEWEB)

By using megaelectronvolt /sup 4/He ion backscattering techniques and transmission electron microscopy, the authors have investigated the interactions of ion beams with thin film structures in a number of silicide-forming systems. The mixed layer was found to be an equilibrium compound for near-noble metals and an amorphous phase for refractory metals. Differences in behavior have also been observed in near-noble metal systems. For palladium, the Pd/sub 2/Si phase grew with ion dose and remained crystalline up to high dose. For nickel, the compound Ni/sub 2/Si was formed initially and became amorphous on prolonged irradiation. All the results indicate the significance of atomic mobility at target temperatures in determining the phase formation and in explaining the sensitivity of the silicides to ion bombardment.

International Nuclear Information System (INIS)

Interaction of Yb-Pd-Si system components is studied, isothermal cross section of this system state diagram at 870 K is constructed. Five new ternary silicides are detected in the system: YbPd_5Si_3, Yb_3Pd_2_0Si_6, YbPd_2Si, YbPd_0_,_6_7Si_1_,_3_3, YbPdSi; the existence of one more -YbPd_2Si_2, earlier known, is confirmed. Crystal structure for all the compounds detected is determined and examined. Data on the materials magnetic properties are obtained. It is assumed that YbPd_2Si, YbPd_2Si_2 and YbPdSi compounds appear to be the Condo-systems. 10 refs., 3 figs., 3 tabs.

Energy Technology Data Exchange (ETDEWEB)

The electrochemical performances of orthorhombic LiMnO{sub 2} compounds are analyzed in order to find a structural and/or morphological origin to the differences of electrochemical behaviours observed in compounds with different size of crystallites and different amounts of lattice defects. Energy capacity performances of 200 Ah/kg are reached for materials with crystallites of about 10{sup 7} Angstrom{sup 3} and with about 7% of defects, while energy capacities of only 80 Ah/kg are obtained for materials with ten times bigger crystallites. (J.S.) 3 refs.

British Library Electronic Table of Contents (United Kingdom)

Extraction of 25 L fermentation broth of the newly isolated Streptomyces sp. strain TN58 and various separation and purification steps led to the isolation of five bioactive metabolites, namely brevianamide F (C1), reported from a streptomycete for the first time, N?-acetyltryptamine (C2), thiazolidomycin (C3), and two rhamnopyranosides (C4 and C5). These two rhamnopyranosides were produced directly, without precursor addition. The chemical structure of these five active compounds was established on the basis of 1H, 13C/APT and 2D NMR spectra, ESI and EI-MS data, and by comparison with data from the literature. According to the biological studies, we show in this work that the compounds C1, C2, C4 and C5 possess antimicrobial activities.

International Nuclear Information System (INIS)

The absorption spectra of an unoriented single crystal of the title compound (1) have been measured at room and at low temperatures. Assuming a similar sequence of crystal field (CF) levels as for the previously analyzed Nd[N(SiMe_3)_2]_3 (2) a truncated CF splitting pattern is derived from the spectra obtained. The parameters of an empirical Hamiltonian are fitted to the energies of 71 levels to give an r.m.s. deviation of 24.2 cm"-"1. The parameters obtained are compared with those of 2 and Nd[N(SiMe_3)_2]_3(CNC_6H_1_1)_2 (3). The observed trends of CF parameters are consistent with the results of simple model calculations in the framework of the angular overlap model. (orig.)

British Library Electronic Table of Contents (United Kingdom)

The cover picture shows the fertile combination of synthetic chemistry and experimental physics, both permanently making central contributions to hot scientific topics in spite of being classical scientific disciplines with long-standing traditions. The displayed scientist struggles with the synthesis of cruciform structures (displayed on the black board) for single-molecule-transport investigations in a mechanically controlled break junction setup (sketched in the inset at the upper right corner). More information on the design and synthesis of the cruciform structures, such as their immobilization experiments, is found in the article by M. Calame, M. Mayor et al. on p. 833 ff. Serafin Pazdera is greatly acknowledged for the cover artwork.

International Nuclear Information System (INIS)

The structure of nano-porous carbon, obtained by means of chlorination of carbide compounds with various crystal structure (SiC, TiC, Mo_2C) is studied through the method of small-angle diffraction. The angular dependences of the scattering intensity obtained are interpreted as the result of scattering from the nanoparticles of different size. The functions of the scattering particles distribution by the m(R_g) inertia radii are determined. It is shown that in spite of the source carbide, the highest fraction of the volume in the porous carbon constitute the particles with R_g #approx# 5 A. The nanoparticles in the samples obtained from SiC, wherein the average value of the R_g"a"v < 6 A, are most uniform by size. The nanoparticles in the porous carbon, obtained from Mo_2C, are on the average by two times larger

International Nuclear Information System (INIS)

Cluster calculations of the electronic structure and charge distribution in V_3Si have been performed using two different molecular orbital methods: a semiempirical LCAO and the MS X#alpha# model. The results are compared with X-ray emission spectra and band structure calculations. An analysis of the calculated electronic distribution reveals a charge transfer from Si-atoms to V-atoms, the additional charge on a V-atom being 0.6e (LCAO) and 0.4e (MS X#alpha# method). The results are in good agreement with experiment, which indicates that the cluster approach is adequate for the description of charge distributions and spectra characteristics of the A-15 compounds. (author).

International Nuclear Information System (INIS)

The self-consistent-pseudopotential method is applied to the A-15 compounds Nb_3Ge and Nb_3Al. The Fermi energy is found to lie in a region of very flat bands having a bonding character along the Nb chains. Comparison with the band structures of the (nonexistent) A-15 materials Nb_3Nb and Nb_3/sup asterisk/ (chains only) suggest that the p states on the Ge and Al atoms are instrumental in determining the position of the Fermi level. There is little evidence for rigid-band behavior in the Nb_3Al/sub x/Ge/sub 1-x/ system. Studies of the effects of chain dimerization in Nb_3Ge suggest that states at R and M are more likely candidates to participate in structural transitions than states at GAMMA or X.

Science.gov (United States)

Electron charge distributions are presented for Nb/sub 3/Ge, Nb/sub 3/Al, and two other hypothetical A-15 structures. Results indicate that the bonding in these materials is mainly metallic in character with some covalentlike bonding between Nb-chain atoms. We find significant coupling between neighboring chains and also between chain atoms and atoms at the cubic site. Comparison is made with various theoretical models. Investigation of the charge character of states near E/sub F/ suggests further developments in current theories on the structural transformation of A-15 compounds. The effect of chain dimerization on electronic states and charge distribution of Nb/sub 3/Ge is also investigated.

British Library Electronic Table of Contents (United Kingdom)

Schiff-base condensation of a equimolar proportion of diacetyl-monoxime monohydrazone and 1-methylimidazole-2-carboxaldehyde in methanol gives rise to the imidazole azine, 3-(1-methylimidazol-2-yl)methylenehydrazonobutan-2-one oxime(HL). Reaction of 1:1 stoichiometric proportion of HL with copper(II)perchlorate hexahydrate in methanol yields a dimeric oximato bridged copper compound, [Cu2L2(H2O)2](ClO4)2 (1). The compound is characterized by C, H and N analyses, FT-IR, ESI?MS, conductivity measurement, UV?Vis spectra and X-ray single crystal diffraction. The title compound (1) crystallizes in the monoclinic space group P21/c with a?=?6.8533 (8), b?=?18.413 (2), c?=?11.7399 (14) ?, ??=?93.685 (2)?, V?=?1478.4 (3) ?3 and Z?=?2. The geometry around each copper center is distorted square pyram...

Energy Technology Data Exchange (ETDEWEB)

A series of 2-alkylthiopyrine-4-carbothioamides were synthesized, and their anti-fungal potency was tested. The chemical structures were proved by infrared spectroscopy (IR) and {sup 1}H nuclear magnetic resonance ({sup 1}H-NMR) data and by elemental analysis. The minimal inhibitory concentration (MIC) and minimal fungicidal concentration (MFC) assessment were used for the estimation of potential activity in vitro. The study comprising 21 clinical isolates of fungi showed that two compounds exhibited fair inhibitory activity against some yeasts and dermatophytes. Selective fungistatic activity against non-dermatophytes (MIC = 3.12-25.0 {mu}g/mL) was found also in another compound. None of the above compounds showed inhibitory activity against non-dermatophyte filamentous fungi. Microbiological activity of 2-alkylthiopyridine-4-carbothioamides appears to be mainly related to hydrophobicity of alkyl in ...

International Nuclear Information System (INIS)

We report the results of the DC magnetization, neutron powder diffraction and neutron depolarization studies on the spin-chain compounds Ca3Co2-xFexO6 (x = 0, 0.1, 0.2 and 0.4). Rietveld refinement of neutron powder diffraction patterns at room temperature confirms the single-phase formation for all the compounds in rhombohedral structure with space group R3-barc. Rietveld refinement also confirms that Fe was doped at the trigonal prism site, 6a (0, 0, 1/4) of Co. The high temperature magnetic susceptibility obeys the Curie-Weiss law; the value of the paramagnetic Curie temperature (?p) decreases as the concentration of iron increases and it becomes negative for x = 0.4. No extra Bragg peak as well as no observable enhancement in the intensity of the fundamental (nuclear) Bragg peaks has been observed in the neutron diffraction patterns down to 30 K. No depolarization of neutron beam has been observed down to 3 K confirming ...

International Nuclear Information System (INIS)

Ternary R_2TSi_3 intermetallic compounds (R=Rare Earth, T=Transition Metal) with hexagonal AlB_2-type crystallographic structure are known because of their interesting physical properties. Pr_2PdSi_3 single crystals were grown by a vertical floating zone method. The compound exhibits congruent melting behavior at a liquidus temperature of about 1770 C. Single crystalline samples show a huge anisotropy at low temperatures due to the crystal electric field effect and order antiferromagnetically below the Neel temperature T_N=2.17 K. This value approximately obeys the linear de Gennes scaling for this class of compounds. The [001] orientation was identified as the magnetic easy axis at room temperature. At lower temperature (#approx#20 K) magnetic easy and hard axes interchange with each other. Two additional magnetic phase transitions were observed at temperatures below 1 K.

International Nuclear Information System (INIS)

K#beta#-to-K#alpha# X-ray intensity ratios of Ti, V, Cr, and Co in pure metals and their disilicide compounds have been measured following excitation by 59.54 keV #gamma#-rays from a 200 mCi "2"4"1Am point-source. The K#beta#-to-K#alpha# intensity ratios of all these metals in the disilicide compounds are found to be less than the corresponding ratios for pure metals. Comparison of the measured K#beta#-to-K#alpha# intensity ratios for the disilicides and pure metals with the multiconfiguration Dirac-Fock calculations indicates increase of the 3d electron populations of Ti, V, Cr, and Co in the disilicides from their pure metal values suggesting the rearrangement of electrons between 3d and 4s states of the individual metal atom. This rearrangement is found to be opposite to that observed in our previously reported work on NiSi_2 and CuSi_2.

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Quaternary semiconductor compounds are ideal candidates for use in monolithic cascade solar cells because the lattice constant and the bandgap of such compounds can be independently varied. The quaternary semiconductor compound Ga[sub 0.83]In[sub 0.17]As[sub 0.67]P[sub 0.33] not only is lattice matched to GaAs and Ge but also provides a current matched top cell for the GaInAsP/Ge monolithic cascade solar cell. Under concentration of 100 suns, the projected efficiency for such a cell is about 34%. The growth of Ga[sub 0.83]In[sub 0.17]As[sub 0.67]P[sub 0.33] lattice matched to GaAs and Ge has been demonstrated. GaInAsP solar cells have been grown on both GaAs and Ge substrates. A GaInAsP on GaAs solar cell with an active area efficiency of 23.2% for 1 sun, AM 1.5 direct illumination has been prepared. A proposed structure for the GaInAsP/Ge cascade cell is also given.

Science.gov (United States)

... PADS(CUSHIONS), OBTURATION(BALLISTICS), BUTYL RUBBER, COMBUSTIBLE CARTRIDGE CASES, PHOSPHORUS COMPOUNDS. ...

International Nuclear Information System (INIS)

The crystal structure of the compound Sm_4Pd_4Si_3 was determined by the single-crystal method (KM-4 automatic diffractometer, Mo K#alpha# radiation). Sm_4Pd_4Si_3 has the monoclinic Nd_4Rh_4Ge_3 type structure: space group C2/c, mC44 (No. 15), a=20.693(6), b=5.584(1), c=7.699(2) A, #beta#=109.48(3) , V=838 A"3, Z=4, #mu#=36.23 mm"-"1, R_F=0.0537, R_W=0.0435 for 1652 unique reflections. The coordination numbers of samarium atoms are 17 and 18. For palladium and silicon atoms icosahedra and trigonal prisms with additional atoms are typical as coordination polyhedra. The structure of Sm_4Pd_4Si_3 is composed of fragments of the YPd_2Si and Y_3Rh_2Si_2 structure in a ratio 1:1. (orig.).

International Nuclear Information System (INIS)

The marked difference between the intra- and extracellular "3"1P NMR chemical shifts of various phosphoryl compounds when added to a red cell suspension may be largely understood in terms of the effects of hemoglobin on the "3"1P NMR chemical shifts. The presence of [oxy- or (carbonmonoxy)-] hemoglobin inside the red cell causes the bulk magnetic susceptibility of the cell cytoplasm to be significantly less than that of the external solution. This difference is sufficient to account for the difference in the intra- and extracellular chemical shifts of the two phosphate esters trimethyl phosphate and triethyl phosphate. However, in the case of the compounds dimethyl methylphosphonate, diethyl methylphosphonate, and trimethylphosphine oxide as well as the hypophosphite, phenylphosphinate, and diphenylphosphinate ions, hemoglobin exerts an additional, much larger, effect, causing the "3"1P NMR resonances to shift to lower frequency in a manner ...

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V{sub 2}O{sub 5} based compounds are interesting low potential materials for rechargeable cathodes of lithium electrochemical generators. However, the ionic conductivity and the reversibility of electrochemical cycling of V{sub 2}O{sub 5} are limited by the possibilities of lithium insertion. This work shows that the doping of vanadium pentoxide by a M{sup 3+} trivalent transition element (M Fe, Al, Cr or La) allows to intercalate a more important amount of lithium and to improve the behaviour of the material during cycling. These materials of M{sub 0.11}V{sub 2}O{sub 5.16} formula are obtained by sol-gel synthesis. the electrochemical study of the Fe compound has shown that it is a mixed oxide with a behaviour similar to V{sub 2}O{sub 5}. The maximum capacity is of about 2 F/mole in the case of Fe, Al and Cr compounds and of about 1.7 F/mole in the case of La. The structural evolution of the Fe ...

International Nuclear Information System (INIS)

Phase relations in the ternary system Ce-Pd-Si have been established for the isothermal section at 800 deg. C based on X-ray powder diffraction and EMPA techniques on about 130 alloys, which were prepared by arc-melting under argon or powder reaction sintering. Eighteen ternary compounds have been observed to participate in the phase equilibria at 800 deg. C. Atom order was determined by direct methods from X-ray single-crystal counter data for the crystal structures of #tau#_8-Ce_3Pd_4Si_4 (U_3Ni_4Si_4-type, Immm; a=0.41618(1), b=0.42640(1), c=2.45744(7) nm), #tau#_1_6-Ce_2Pd_1_4Si (own structure type, P4/nmm; a=0.88832(2), c=0.69600(2) nm) and also for #tau#_1_8-CePd_1_-_xSi_x (x=0.07; FeB-type, Pnma; a=0.74422(5), b=0.45548(3), c=0.58569(4) nm). Rietveld refinements established the atom arrangement in the structures of #tau#_5-Ce_3PdSi_3 (Ba_3Al_2Ge_2-type, Immm; a=0.41207(1), b=0.43026(1), ...

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The interest in radioiodinated diamines stems from their similarity to /sup 125/I-HIPDM and to the 1-dialkvlamino-acyl-4-phenylpiperazines that the authors have previously examined as potential brain imaging agents. In this study they converted the 1-(dialkylaminoacyl)-4-phenylpiperazines to their corresponding 1-(dialkylaminoacyl) analogs via reduction with diborane in THF. Radioiodination at the no-carrier-added level with Na/sup 125/I and chloramine-T gave the final compounds, after chromatographic separation, in 30-50% yields. The tissue distributions were determined in rats at 0.25, and 4 hrs after an i.v. injection of the radiochemical. The results indicated that all of the agents were readily extracted by the brain (1.5-2.5% ID) with brain to blood ratios >20. The structure-distribution relationships for this series were, however, decidedly different from the aminoacyl compounds in that morpholino-derivatives had ...

British Library Electronic Table of Contents (United Kingdom)

A new lactone, 1,8-dihydroxy-10-methoxy-3-methyldibenzo[b,e]oxepine-6,11-dione (1), and two new xanthones, 1-hydroxy-8-(hydroxymethyl)-6-methoxy-3-methyl-9H-xanthen-9-one (2) and 1-hydroxy-8-(hydroxymethyl)-3-methoxy-6-methyl-9H-xanthen-9-one (3), were isolated from a mangrove endophytic fungus Phoma sp. SK3RW1M collected from the South China Sea. This is the first report on xanthone derivatives isolated as secondary metabolites from Phoma species. Their structures were elucidated by spectroscopic methods, mainly 1D- and 2D-NMR techniques, and the structure of compound 2 was confirmed by X-ray crystallography. Cytotoxicity assays showed that compounds 1-3 were inactive against KB and KBv200 cells.

International Nuclear Information System (INIS)

Cu"2"+ ions are alternatively bridged by end-on and asymmetrical end-to-end (EE) azido groups in copper (II)-azido compound [#left brace#Cu(L)(N_3)_2#right brace#_n] (L=benzylamine). The electronic structure of its ferromagnetic ground state has been calculated using the self-consistent full-potential linearized augmented plane wave method based on the density functional theory. The spin populations have been found to be strongly positive on the Cu"2"+ ions, weakly positive on the terminal nitrogen atoms of the azido groups as well as on the nitrogen atoms of the benzylamine, and feeble on the central nitrogen atoms of the azido groups. Based on the spin distribution obtained from calculation, the ferromagnetic coupling through the azido groups has been analyzed as resulting from a spin delocalization from the Cu"2"+ ions toward the azido groups. But the result also indicates that the spin polarization effect may also take part in the magnetic ...

International Nuclear Information System (INIS)

The conditions of production and the stability regions have been studied for the following crystallohydrates of trisubstituted uranyl orthophosphates: (UO_2)_3(PO_4)_2x6H_2O, (UO_2)_3(PO_4)_2x4H_2O, and (UO_2)_3(PO_4)_2xH_2O. Their thermal stability has been studied. It is shown that thermal dehydration of high-water hydrates at 220-240 deg C gives (UO_2)_3(PO_4)_2xH_2O. The anion composition and crystal structure of the compound remain constant up to 1000 deg C. The mixture of the composition of U_3O_8xU_3(PO_4)_4 is the final product of decomposition at 1000 deg C. The thermodynamic constants of dehydration processes have been calculated. A conclusion has been made about the polymer structure of the compound in which water is located between the uranylphosphate layers.

Energy Technology Data Exchange (ETDEWEB)

Several works about annual meeting of the Brazilian Chemical Society are present.The search for medicinal chemistry, natural products, biological chemistry, and organic chemistry are shown. Conventional methods and some techniques are discussed and developments of new methods of determining are studied. The use of new chemical compounds, materials, structures and chemical analysis are shown.

International Nuclear Information System (INIS)

It is suggested that the large reduction of the superconducting transition temperature T sub(c) due to defects observed experimentally in some A-15 compounds is caused by smearing of a high peak in the density of states at the Fermi level. The influence of defects on other physical properties (the magnetic susceptibility chi, the elastic modulus C sub(s), the structural transformation temperature T sub(m) and the electrical resistivity rho) is also discussed from the same point of view. We expect the anomalous temperature dependence of chi C sub(s) and rho will be suppressed by defects. (auth.).

Energy Technology Data Exchange (ETDEWEB)

High-T/sub c/ superconductivity is due to the action of two mechanisms: (1) plasmon mechanism, i.e., exchange of two-dimensional (2-D) plasmons and (2) strong electron--phonon coupling. The low dimensionality and the small value of the carrier concentration make the plasmon mechanism favorable. The small value of the coherence length leads to a unique opportunity to observe a multigap structure. The proximity effect can be used in order to increase T/sub c/ of A-15 compounds.

Science.gov (United States)

Intermetallic compounds are regarded as highly promising for applications as high temperature structural materials. However, recent studies have demonstrated that a number of ordered alloys exhibit environmental embrittlement when tested in various environments at ambient temperature. When exposed to hydrogen gas or electrolytically charged with hydrogen, a significant ductility loss has been reported. The reaction of water vapor with reactive elements in the crack tip results in the generation of atomic hydrogen which diffuses from the surface to the interior and causes embrittlement. In this paper, the authors try to analyze the sensitivity of hydrogen embrittlement of ordered alloys based upon energetical considerations.

Energy Technology Data Exchange (ETDEWEB)

The study is concerned with the combined effect of high pressure and shear strain on the properties of the A-15 intermetallics Nb3Sn and Nb3Al0.75Ge0.25. The properties discussed are the superconducting transition temperature, the width and intensity of the X-ray diffraction lines, and the width and shape of the Mossbauer absorption lines. It is shown that the combined effect of high pressure and shear strain leads to an intense generation of defects in polycrystalline specimens; the size of the ordered regions does not exceed 300 A even under the least severe conditions. 5 references.

International Nuclear Information System (INIS)

Y2Te4O11:Eu3+ and Y2Te5O13:Eu3+ single crystals in sub-millimeter scale were synthesized from the binary oxides (Y2O3, Eu2O3 and TeO2) using CsCl as fluxing agent. Crystallographic structures of the undoped yttrium oxotellurates(IV) Y2Te4O11 and Y2Te5O13 have been determined and refined from single-crystal X-ray diffraction data. In Y2Te4O11, a layered structure is present where the reticulated sheets consisting of edge-sharing [YO8]13- polyhedra are interconnected by the oxotellurate(IV) units, whereas in Y2Te5O13 only double chains of condensed yttrium-oxygen polyhedra with coordination numbers of 7 and 8 are left, now linked in two crystallographic directions by the oxotellurate(IV) entities. The Eu3+ luminescence spectra and the decay time from different energy levels of the doped compounds were investigated and all detected emission levels were identified. Luminescence properties of the Eu3+ cations have been ...

International Nuclear Information System (INIS)

In PWR's steam generators, ''denting'' resulted from corrosion of support plate material, carbon steel is an important problem. The role of chlorides in corrosion acceleration of mild steel was studied. Corrosion tests were conducted at temperature from 100"0C to 280"0C in deaerated solutions of NaCl and MgCl_2 which are main content of sea water. 1) Solution of MgCl_2 was more corrosive than that of NaCl. The more increased in concentration of each chloride solution, the more corrosive in MgCl_2 soln. but the less corrosive in NaCl soln. 2) The rate of corrosion in the mixed solution of NaCl and MgCl_2 was governed by the concentration of MgCl_2 soln. The corrosion behaviour in sea water was suggested to be not controlled by NaCl but by MgCl_2. 3) Acidification of MgCl_2 soln. could be evaluated by experiment at 100"0C, the degree of acidification increased with increasing the ...

British Library Electronic Table of Contents (United Kingdom)

A series of novel triazolinones were synthesized and their structures were characterized by 1H NMR, elemental analysis and single-crystal X-ray diffraction analysis. The herbicidal activities were evaluated against Echinochloa crusgalli (L.) Beauv., Digitaria adscendens, Brassica napus and Amaranthus retroflexus. The herbicidal activity data indicated that the title compounds had higher activities with substituted benzyl group moieties than with other groups such as sulfonyl, alkyl, etc. To further investigate the structure-activity relationship, comparative molecular field analysis was performed on the basis of herbicidal activity data. Both the steric and electronic field distributions of comparative molecular field analysis are in good agreement in this work. The results showed that a b...

Energy Technology Data Exchange (ETDEWEB)

A number of materials of composition YSr{sub 2}Cu{sub 3-x}MxO{sub 7{+-}y} with M = Ti, Fe, Co, Al, Ga and Pb were prepared by solid state reactions. They belong to the tetragonal P4/mmm space group and their unit cell parameters were determined and refined from X-ray powder data. The infrared spectra of the compounds were also recorded and are briefly discussed on the basis of their structural characteristics and by comparison with those of related materials. (orig.) 23 refs.

Energy Technology Data Exchange (ETDEWEB)

In this systematic examination of some of the spectroscopic properties of the f-elements we deal with both the trivalent lanthanides and actinides. We summarize the present status of our energy level calculations in single crystal matrices and in aqueous solution, and compare the predicted crystal-field structure in certain low-symmetry sites with that observed. Some interesting new structural insights are thereby gained. The state eigenvectors from these calculations are then used in part in reassessing and interpreting the intensities of transitions in aqueous solution via the Judd-Ofelt theory. The parameters of this theory derived from fitting experimental data are compared with those computed from model considerations. Finally, we discuss some recent contributions to the interpretation of excited state relaxation processes in aqueous solution. 79 references, 23 figures, 17 tables.

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Structural silicides have important high temperature applications in oxidizing and aggressive environments. Most prominent are MoSi{sub 2}-based materials, which are borderline ceramic-intermetallic compounds. MoSi{sub 2} single crystals exhibit macroscopic compressive ductility at temperatures below room temperature in some orientations. Polycrystalline MoSi{sub 2} possesses elevated temperature creep behavior which is highly sensitive to grain size. MoSi{sub 2}-Si{sub 3}N{sub 4} composites show an important combination of oxidation resistance, creep resistance, and low temperature fracture toughness. Current potential applications of MoSi{sub 2}-based materials include furnace heating elements, molten metal lances, industrial gas burners, aerospace turbine engine components, diesel engine glow plugs, and materials for glass processing.

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Recent developments in rechargeable Li-ion battery technology include the use of lithium-carbon compounds instead of metallic anodes. Non-graphitizable carbons offer high capacity as the anode material but it's large irreversible capacity must be solved. The ultimate goals of the present work are to understand the origin of the high capacity and large irreversible capacity in conjunction with the structural change due to Li intercalation and thus to establish a scientific basis for optimizing their performance in real batteries. 'House of cards' model is considered and emphasis is given to find out the size of the pores present in the carbon fibers prepared from an isotropic petroleum pitch and heat treated at 1200degC. Small angle neutron scattering and wide angle neutron scattering results provide enlargement of pores and d-spacing of grapheme layers after Li intercalation. (author)

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This project is concerned with the kinetics and mechanisms of aromatic oxidation and soot and fullerenes formation in flames. The objective of the aromatics oxidation work is to identify and measure the concentration of important intermediates and products in benzene oxidation, and to determine reaction mechanisms and kinetics properties consistent with the behavior seen in flames. The research on soot formation is concerned primarily with the particle inception stages, but the work includes study of soot structure at all stages of growth in order to obtain mechanistic information from evidence of growth steps recorded in the structure of the particles. The ultimate objective is to understand how nascent soot particles are formed from high molecular weight compounds, including the roles of planar and curved PAH and the relationship between soot and fullerenes. The objective of the proposed research on fullerenes is to ...

International Nuclear Information System (INIS)

The rare earth metal rich compounds RE4NiMg (RE=Y, Pr-Nd, Sm, Gd-Tm, Lu) were synthesized from the elements in sealed tantalum tubes in an induction furnace. All compounds were investigated by X-ray diffraction on powders and single crystals: Gd4RhIn type, space group F4-bar 3m, Z=16, a=1367.6(2) pm for Y4NiMg, a=1403.7(3) pm for Pr4NiMg, a=1400.7(1) pm for Nd4NiMg, a=1386.5(2) pm for Sm4NiMg, a=1376.1(2) pm for Gd4NiMg, a=1362.1(1) pm for Tb4NiMg, a=1355.1(2) pm for Dy4NiMg, a=1355.2(1) pm for Ho4NiMg, a=1354.3(2) pm for Er4NiMg, a=1342.9(3) pm for Tm4NiMg, and a=1336.7(3) pm for Lu4NiMg. The nickel atoms have trigonal prismatic rare earth coordination. These NiRE6 prisms are condensed via common edges to a three-dimensional network which leaves voids for Mg4 tetrahedra and the RE1 atoms which show only weak coordination to the nickel atoms. The single crystal data indicate two kinds of solid solutions. The RE1 positions reveal small RE1/Mg ...

International Nuclear Information System (INIS)

Kaolinite intercalated with potassium acetate is of great interest in the areas of environmental remediation and industrial application; however, its exact atomic structure and the changes which occur when heated have remained largely elusive. Here, neutron pair distribution function analysis is used to investigate the local structural characteristics of this complex material, revealing that hydrated potassium acetate exists as a single layer in the interlamellar spacing of kaolinite. Furthermore, the potassium ions within the intercalated complex are most likely associated with the resonance structure of the acetate molecules, and upon heating (and decomposition of the carbon containing molecules), these ions become strongly associated with the negative charge located on the oxygen atoms in the alumina layers of dehydroxylated kaolinite. Several possible orientations of hydrated potassium acetate within the interlamellar ...

International Nuclear Information System (INIS)

Research highlights: #-># The Y-intermetallic can accelerate corrosion and Y can increase the protectiveness of the surface layer. #-># In 0.1 M NaCl, the corrosion rate of Mg-Y alloys increased with increasing Y due to the Y intermetallic. #-># In 0.1 M NaCl, there was filiform corrosion. #-># In 0.1 M Na_2SO_4, the corrosion rate of Mg-Y alloys decreased with increasing Y in the range 3-7%Y. #-># Hydrogen evolution was observed from particular parts of the alloy surface. - Abstract: Corrosion of Mg-Y alloys was studied using electrochemical evaluations, immersion tests and direct observations. There were two important effects. In 0.1 M NaCl, the corrosion rate increased with increasing Y content due to increasing amounts of the Y-containing intermetallic. In 0.1 M Na_2SO_4, the corrosion rate decreased with increasing Y content above 3%, attributed to a more protective surface film, despite the ...

Energy Technology Data Exchange (ETDEWEB)

Passive films were formed on chromium by polarization at +400 mV/SHE in 0.5 M H{sub 2}SO{sub 4} for different times (30 minutes, 2 hours and 20 hours) without and with chlorides. The effect of chlorides was studied by adding NaCl to the solution before or after passivation. The chloride concentrations were 0.05, 0.3 and 1 M. The (i-E) curves recorded for Cr without and with Cl{sup -} are similar and the addition of chlorides after passivation has no significant effect on the current recorded in the passive state. The passive films were analyzed by angle-resolved XPS (AR-XPS). The measurements performed at different take-off angles of the photoelectrons show that the films have a bilayer structure constituted of an outer hydroxide layer, Cr(OH){sub 3}, and an inner oxide layer, Cr{sub 2}O{sub 3}. The thicknesses of the oxide and hydroxide layers are 3 A and 9 A, 6 A and 7 A and 6 A and 6 A for the films formed in 0.5 M H{sub 2}SO{sub 4} after 30 ...

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The synthesis and brain uptake in mice of the radioidinated derivatives of N,N-dimethyl-N'-(idodimethoxyphenyl)-1,3-propanediamine, as well as the N-substituted derivatives of (iodoalkylphenyl)isopropyl, iodoalkylphenylethylamine and 3,4-(methylenedioxy)phenyl-amphetamine (MDA) are described. These compounds contain structural features of both IMP and HIPDM, the cerebral perfusion agents currently in clinical use. The radiolabeled analogs were obtained via the [{sup 125}I]I exchange method, or by [{sup 125}I]NaI treatment of the iodo-free precursor in the presence of an oxidant. Following intravenous injection in mice, all compounds showed important radioactivity concentrations in the lungs and kidneys. The N-substituted (iodoalkylphenyl)isopropyl and iodoalkylphenyl-ethylamine derivatives displayed a high initial brain uptake (>10%IDg{sup -1}) followed by a rapid clearance phase, resulting in lower ...

Energy Technology Data Exchange (ETDEWEB)

Nitriding leads to improved tribological and corrosive properties of iron alloy components. In order to study the effect of plasma nitriding parameters on the structure of compound layer and diffusion zone, a systematic variation of process parameters, temperature and process gas atmosphere has been carried out. Metallographic inspection, X-ray diffraction and glow discharge optical spectroscopy analysis (GDOES) were used in this investigation. The results clarified that depending on the amount of nitrogen in the gas atmosphere nitrided layers with and without compound layer can be generated in the surface of M2 tool steel for temperatures from 350 C to 500 C. For plasma nitriding in 5 vol.% Nitrogen and 95 vol.% Hydrogen no compact compound layer was formed. The gas mixture of 76 vol.% Nitrogen resulted in compound layer formation for all temperatures from 350 C to 500 C. X-ray ...

International Nuclear Information System (INIS)

Hydrostatic weighing was used to measure the pre-melt density of crystalline eutectic mixtures of alkaline metal chlorides of the compositions (mole fractions): 0.605 LiCl + 0.395 CsCl, 0.585 LiCl + 0.415 KCl, 0.297 NaCl + 0.246 KCl + 0.457 CsCl, and 0.348 NaCl + 0.652 CsCl with melting points 598, 628, 753, 763 K, respectively, as a function of temperature. In the same temperature ranges, the compressibility and molar volume of eutectics as well as their sudden change upon melting were estimated. Unusual variations of these properties were revealed near the crystal/liquid phase transition, which were related to local disordering of particle configuration

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The kinetics of the electropolymerization of 3-amino-1,2,4-triazole on a brass substrate in alkaline solution containing methanol was investigated using cyclic polarization, chronoamperometry, electrochemical impedance techniques and scanning electronic microscopy. The polymeric film was prepared by successive cycles of potential of a 60Cu-Zn electrode between 0 and 1.6 V. During the second cycle, the oxidation peak of the monomer disappears indicating the formation of the insulating film. We have also shown that the monomer oxidation reaction is essentially irreversible and controlled by a diffusion process. The protective effect of the film formed on brass has been studied in a 3%NaCl and 3%NaCl + S{sup 2-} solution. The results showed important inhibition efficiency, about 96% for 4 h of testing time.

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Corrosion behavior of deposition coated specimens prepared by the technique proposed by the authors is investigated in salt immersion tests, and also those of pure magnesium, 3N, 4N and 6N grades, and magnesium alloys, AZ31 and AZ91E, are investigated for comparison. Inhomogeneous corrosion occurs in AZ31 and AZ91E alloys when buffered solutions with pH values of 6.5 and 9.0 including 1% NaCl and a conventional 3% NaCl solution are used for immersion tests, while 6N-Mg shows homogeneous corrosion in such solutions. Corrosion behavior of the deposition coated specimen resembles that of 6N-Mg. Purification process included in the deposition coating technique provides homogeneity in microstructural and electrochemical terms, which results in improving corrosion resistance. (orig.)

International Nuclear Information System (INIS)

A new iron phosphate (NH4)4Fe3(OH)2F2[H3(PO4)4] has been synthesized hydrothermally at HF concentrations from 0.5 to 1.2 mL. Single-crystal X-ray diffraction analysis reveals its three-dimensional open-framework structure (monoclinic, space group P21/n (No. 14), a=6.2614(13) A, b=9.844(2) A, c=14.271(3) A, ?=92.11(1)o, V=879.0(3) A3). This structure is built from isolated linear trimers of corner-sharing Fe(III) octahedra, which are linked by (PO4) groups to form ten-membered-ring channels along [1 0 0]. This isolated, linear trimer of corner-sharing Fe(III) octahedra, [(FeO4)3(OH)2F2], is new and adds to the diverse linkages of Fe polyhedra as secondary building units in iron phosphates. The trivalent iron at octahedral sites for the title compound has been confirmed by synchrotron Fe K-edge XANES spectra and magnetic measurements. Magnetic measurements also show that this compound exhibit a strong ...

International Nuclear Information System (INIS)

The new compounds In_3_._7Mo_1_5S_1_9, In_1_._6Rb_2Mo_1_5S_1_9, In_2_._2CsMo_1_5S_1_9, and ScTl_2Mo_1_5S_1_9 have been synthesized by solid-state reaction in sealed molybdenum crucible at about 1250 deg. C. Their crystal structures were solved and refined from X-ray single-crystal data in the hexagonal space group P63/m. Their Mo-S framework consists of an equal mixture of Mo_6S_8S_6 and Mo_9S_1_1S_6 cluster units interconnected through Mo-S bonds. In In_3_._7Mo_1_5S_1_9, the In atoms occupy crystallographically different positions depending on their formal oxidation states of +1 or +3. This was confirmed by replacing partially or totally the monovalent indium by another monovalent cation such as the rubidium, cesium or thallium and the trivalent indium by the scandium to get the new In_1_._6Rb_2Mo_1_5S_1_9, In_2_._2CsMo_1_5S_1_9, and ScTl_2Mo_1_5S_1_9 compounds, respectively.

International Nuclear Information System (INIS)

The electronic structure and properties of the cubic Laves phase (C15) compounds ZrZn_2 and ZrV_2 have been determined using our all-electron full-potential linearized-augmented-plane-wave (FLAPW) method for bulk solids. The computations were performed in two stages: (i) self-consistent warped muffin tin and (ii) self-consistent full potential. Spin-orbit coupling was included after either stage. The effects of the inclusion of the nonspherical terms inside the muffin tins on the eigenvalues is found to be small (of order 1 mRy). However, due to the fact that some of the bands near the Fermi level are flat, this effect leads to a much higher value of the density of states at E/sub F/ in ZnZr_2. The most important difference between the materials ZrZn_2 and ZrV_2 is the position of the d bands derived from the Zr and V atoms. Consequently, these materials have completely different Fermi surfaces. We have investigated the magnetic properties of ...

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The purpose of this work was to investigate the optical properties of several high T/sub c/ compounds in the form of sputtered films. The measurements are used toward this end: optical absorptance (using a calorimetric technique near 4.2K), which yields (after Kramers-Kronig analysis) the complex dielectric function, and thermoreflectance (which measures the change in reflectance in the optical range when a 1 to 10/sup 0/K temperature wave is applied), performed at two ambient temperatures (80 and 300/sup 0/K), yielding the differential dielectric function. The sputtered films included Nb/sub 3/Ge, Nb/sub 3/Al, V/sub 3/Ga and Nb/sub 3/Ir. It is noted that Nb/sub 3/Ir is not a high T/sub c/ superconductor. The thermoreflectance on the bulk samples V/sub 3/Si, V/sub 3/Ge and single crystal Cr/sub 3/Si were not performed because the samples were not in the form of thin films. The thermomodulation studies are correlated with the absorptance measurements in comparison ...

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A-15 compounds are extremely brittle and difficult to process for practical applications. A novel processing technique was developed to greatly improve the mechanical and superconducting properties of A-15 alloys. The new processing technique can be described as follows: (1) to select compounds that can form the A-15 phase (the selected A-15 compounds in this research were Ti3Nb6Mo3Si4 and Nb99.5-(x + y)AlxSiyB0.5 alloys); (2) to rapidly solidify them into the amorphous state; (3) to anneal the quenched amorphous products into ultra fine-grained single A-15 phase. The extreme grain refinement greatly improved the flexibility and the critical current density of the alloys. The melt spinning technique was used to rapidly solidify Ti3Nb6Mo3Si4 and Nb99.5-(x + y)AlxSiyB0.5 alloys. Ti3Nb6Mo3Si4 alloys were relatively easily formed into the amorphous state. Nb3Al alloys required the addition of glass forming elements Si and B. It ...

International Nuclear Information System (INIS)

The crystal structure, lattice strain due to the antiferromagnetic ordering, and magnetic form factor in the itinerant 5f compounds UTGa_5 (T=Ni, Pd, Pt) have been studied by neutron scattering. High-resolution powder diffraction revealed that the tetragonality of the U-Ga layers increases down to the series of the transition metal element T. The integrated intensities of the antiferromagnetic reflections can be well explained with the Neel-type structure for UNiGa_5, whereas UPtGa_5 has the antiferromagnetic stacking of the ferromagnetically ordered uranium moments in the c plane. In both compounds the uranium moments orient along the c axis with moments of 0.75(5) and 0.32(5) #mu#_B for UNiGa_5 and UPtGa_5, respectively. No magnetic peak could be observed in the powder diffraction pattern of UPdGa_5 due to the small magnetic moment less than the experimental sensitivity. The orbital contributions in ...

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Indian Institute of Science Theses & Dissertations (India)

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Science.gov (United States)

Superconductivity of binary alloys spanning the A-15 compounds V/sub 3/Si, V/sub 3/Ge, V/sub 3/Ga, and V/sub 3/Al and the pseudobinary derivatives of these stoichiometric compounds was surveyed by studying samples prepared by rf-sputtering from alloy cathodes. The possible formation of the hypothetical A-15 binaries ''V/sub 3/P,'' ''V/sub 3/B,'' and ''V/sub 3/C'' and their pseudobinary formation with V/sub 3/Si was also explored. Efforts to form these hypothetical alloys were not successful. The T/sub c/'s were measured resistively and the structure and lattice constants were determined by x-ray analysis. A maximum T/sub c/ of 11.7/sup 0/K was obtained for A-15 V/sub 3/Al, and the importance of a suitable deposition temperature and high sputtering pressures was examined. It is proposed that large variations ...

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The temperature dependence of T/sub 1/ spin-lattice relaxation time on /sup 51/V, /sup 69/Ga, /sup 71/Ga and Knight shift on /sup 51/V and /sup 29/Si nuclei in polycrystalline V/sub 3/Si, V/sub 3/Ga, V/sub 3/Ge and in the monocrystal V/sub 3/Si in normal state is investigated. For V/sub 3/Si and V/sub 3/Ga a rapid growth (T/sub 1/T)/sup -1/ is observed with temperature decrease while for V/sub 3/Ge the maximum (T/sub 1/T)/sup -1/ at T approximately equal to 60 K has been found. The temperature dependence peculiarities have been discussed on the basis of theoretical models available and zone structure calculations for A-15 compounds. The T/sub 1/ anisotropy and possibility of its experimental discovery are considered. Anisotropic contribution in (T/sub 1/T)/sup -1/ and contributions of d states of different symmetries into the electron state density at the Fermi level are estimated for V/sub 3/Si from T/sub 1/ measurements.

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The single-electrode capacitance of a nano-porous carbon electrode used as an electric double layer capacitor was measured. The charged state of the electrolyte ion was discussed from the results. Single-electrode capacitance was not proportional to the specific surface area of the electrode. This implies that the whole surface of the electrode is not effective for the formation of an electric double layer. It is considered that edge orientation of the carbon structure would give a dominant contribution to capacitance. For measurements with aqueous solutions of various electrolytes, capacitance was about the same value for each salt compound. For aqueous acid solution, on the other hand, capacitance was twice to three times as large as that for salt compounds. This difference, however, became negligibly small if the concentration of electrolyte solution was lowered. Taking account of the hydrated ionic radius of each ion, ...

International Nuclear Information System (INIS)

Data by Wiesmann et al. on the temperature coefficient of the upper critical field, dH/sub c/2(T)/dT, and the normal-state resistivity rho_0 near the superconducting transition temperature T/sub c/ are analyzed to estimate the bare density of states N (E/sub F/) as a function of structural disorder and T/sub c/ in various #alpha#-particle irradiated samples of A-15 Nb_3Ge and Nb_3Sn. By taking into account the change in the electron-phonon coupling strength with T/sub c/ and the effect of mass enhancement arising from the electron-phonon interaction, the results of the new analysis indicate that (i) the drop in N (E/sub F/) for Nb_3Ge is relatively small as T/sub c/ changes from approx. 21 to approx. 4 K, in agreement with a recent low-temperature specific-heat measurement; (ii) the value of N (E/sub F/) in Nb_3Sn decreases by a factor of approx. 4 as T/sub c/ varies from approx. 18 to approx. 3 K. The implication of these findings is discussed in terms of the ...

Science.gov (United States)

Skin sensitization is the most commonly reported occupational illness, causing much suffering to a wide range of people. Identification and labeling of environmental allergens is urgently required to protect people from skin sensitization. The guinea pig maximization test (GPMT) and murine local lymph node assay (LLNA) are the two most important in vivo models for identification of skin sensitizers. In order to reduce the number of animal tests, quantitative structure-activity relationships (QSARs) are strongly encouraged in the assessment of skin sensitization of chemicals. This paper has investigated the skin sensitization potential of 162 compounds with LLNA results and 92 compounds with GPMT results using a support vector machine. A particle swarm optimization algorithm was implemented for feature selection from a large number of molecular descriptors calculated by Dragon. For the LLNA data set, the classification ...

International Nuclear Information System (INIS)

Column chromatography of the petroleum ether and chloroformic extracts of Maytenus Forsskaoliana afforded four compounds: friedilin1, B-amyrin 2, B-sitosterol 3 and betulin 4. The structure of these compounds were established on bases of spectral (IR,MS,H and C-NMR)as well as physical data. Antimicrobial activity for extracts indicated weak potency (200ug/ml) while betulin4 showed a pronounced activity (MIC and MBC 20ug/ml).The cytotoxic activity of beutalin4 significantly indicated promising activity (IC50 40ug/ml) on both HeLa and Hep-2 cells. The pharmacological activity of diferent extracts showed sedative effect, slowing respiration, dose -dependent decrease in the arterial blood pressure by 40.1mm Hg (at adose 200mg /kg),decrease in the heart rate 67.3% (at a dose 50mg /kg)and decrease in the body temperature by 4.2C after 2 hrs (at a dose 200mg /kg). (author)

International Nuclear Information System (INIS)

The resonance line shift of a series of A-15 structures (V_3Pt, Vsub(0.76)Ptsub(0.24) and Vsub(0.62)Irsub(0.38) is measured as a function of temperature in the superconducting state. A method will be described to separate the contribution of the diamagnetism of the superconductor (Meissner effect) and that of the Knight shift to this line shift. From the temperature dependence of the Knight shift of the V atoms the sum of the s and d contribution to the Knight shift can be determined. In these three compounds the s and d contributions appear to cancel out nearly. Moreover the temperature dependence of kappa_2 can be calculated from the measurements. The values of kappa_2 extrapolated at T=Tsub(c) are about 70 for these samples. From the obtained sum of Ksub(s) and Ksub(d) and the data of the susceptibility or of the specific heat of these samples Ksub(s) and Ksub(d) can be separated. For all samples Ksub(s)=0.06+-0.005%. Finally it was observed ...

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We have performed inelastic neutron scattering (INS) experiments on CeRh{sub 3}B{sub 2} at various temperatures to obtain direct information on the crystal electric field (CEF) in this compound, which exhibits some very peculiar magnetic properties for a Ce system: it is ferromagnetic with an unusually high Curie temperature (115 K), which contrasts with a strongly reduced and anisotropic magnetization (0.4 {mu}{sub B}/fu within the c-plane of the hexagonal structure). Measurements with high incident energies show only one well defined magnetic excitation around 150 meV, its exact position varying with the temperature. These results, combined with our previous data of magnetization and magnetic form factor, have permitted us to determine the CEF energy level scheme taking into account the two J multiplets of the Ce{sup 3+} ion. Information on the ground state (quasielastic contribution and ground state moment) has also been obtained by ...

British Library Electronic Table of Contents (United Kingdom)

A mixture of long-chain hydrocarbons constituted by nonacosane (29C, 7.5%), hentriacontane (31C, 48.3%), and tritriacontane (33C, 30.1%), the ester 1?-acetyloxymethylpentacosa-20?-enyl 10-hydroxydecanoate (2), ?-amyrin (3), friedelin (4), and lupeol (5), and 3?-hydroxy-D:B-friedo-olean-5-ene (6) were identified as constituents of fruits of Maytenus salicifolia Reissek (Celastraceae). The structural formula and the stereochemistry of compound 6 were established by the data obtained through 1H and 13C NMR spectroscopy, including DEPT-135 and 2D (HMQC, HMBC, and NOESY) experiments. By analysis of the spectral data, it was possible to correct seven chemical shift assignments of compound 6, which were erroneous attributed and published in the scientific literature.

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Polynuclear aromatic sulphur heterocycles (PASHs) were isolated from a coal extract by two-step separation method using silica gel column chromatography and ligand exchanges thin layer chromatography (PdCl{sub 2}/SiO{sub 2}). The subfraction was examined by capillary column gas chromatography with flame ionization detector and flame photometric detector and gas chromatography - mass spectrometry. Identification was accomplished by comparison of chromatographic retention indices and mass spectra of compounds with those reported in the literature. It was found that the principal structures of the sulphur-containing fraction of Guiding coal extract have 3-4 aromatic rings. Dibenzothiophene, C{sub 1} - C{sub 3} alkylated dibenzothiophenes, benzonaphthothiophene and its alkylated derivatives were the main compounds. Only a few other polynuclear sulfur heterocycles were detected. No benzothiophene and its derivatives were ...

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At VNIIKRneft the possibility of using natural ore magnetite as an additive to neutralize hydrogen sulphide in drilling mud is considered. Its activity is sufficiently high and is dependent on the overall iron content and its dispersion. For example, the widely available YuGOK industrial group's magnetite compound, which has an overall content of iron of 66% and specific surface PSH-2 1500 cm/sup 2//g under normal operating conditions, is able to absorb in the first 5 hours 500 l hydrogen sulphide per 1 kg/hour. The activity of the YuGOK compound, which has been ground at the Il'sk weighting material plant to the specific surface of 3000 cm/sup 2//g (PSH-2), is inferior only by 10-15% to the ''sponge''. In addition, structural-mechanical indices of solutions that had been processed with both materials are identical when added in the 10-40% range by volume. At this ...

British Library Electronic Table of Contents (United Kingdom)

Phase relations in the ternary system Ce-Pd-Si have been established for the isothermal section at 800degreeC based on X-ray powder diffraction and EMPA techniques on about 130 alloys, which were prepared by arc-melting under argon or powder reaction sintering. Eighteen ternary compounds have been observed to participate in the phase equilibria at 800degreeC. Atom order was determined by direct methods from X-ray single-crystal counter data for the crystal structures of t8-Ce3Pd4Si4 (U3Ni4Si4-type, Immm; a=0.41618(1), b=0.42640(1), c=2.45744(7)nm), t16-Ce2Pd14Si (own structure type, P4/nmm; a=0.88832(2), c=0.69600(2)nm) and also for t18-CePd1-xSix (x=0.07; FeB-type, Pnma; a=0.74422(5), b=0.45548(3), c=0.58569(4)nm). Rietveld refinements established the atom arrangement in the structures of...

International Nuclear Information System (INIS)

Three new rare earth metal-rich compounds, Gd_6MTe_2 (M=Co, Ni) and Er_6RuTe_2, were synthesized in direct reactions between the R, R_3M, and R_2Te_3 (R=Gd, Er, M=Co, Ni, Ru). These materials all adopt the same Zr_6CoAl_2 structure type with space group P6-bar 2m (No. 189, Z=1). Single crystal structures of Gd_6CoTe_2 and Er_6RuTe_2 were determined and lattice parameters are a=b=8.3799(5), c=3.9801(4) A, and a=b=8.1473(5) A, c=3.9962(4) A, respectively. Gd_6NiTe_2 was characterized by X-ray powder diffraction; lattice parameters are a=b=8.412(2), c=3.9577(9) A. Metal-metal bonding correlations were analyzed using the empirical Pauling bond order concept.

International Nuclear Information System (INIS)

In this Letter, we study the structural, elastic and electronic properties of perovskite semiconductor SrTiO_3 using two different methods: the full-potential linearized augmented plane wave (FP-LAPW) method and the pseudo-potential plane wave (PP-PW) scheme in the frame of generalized gradient approximation (GGA). We have evaluated the ground state quantities such as lattice parameter, bulk modulus and its pressure derivative as well as the elastic constants. Also, we have presented the results of the band structure, densities of states and charge densities. These results were in favourable agreement with previous theoretical works and the existing experimental data. To complete the fundamental characteristics of this compound we have analyzed the thermodynamic properties such as thermal expansion coefficient, and specific heats in the whole pressure range from 0 to 20 GPa and temperature range from 0 to 1200 K.

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The influence of Pd-Ni substitution on the formation of magnetic phases in the tetragonal U(Ni_1_-_x, Pd_x)_2Si_2 system and the concentration magnetic phase diagram are presented. A series of different substitutions was prepared and detailed studies by powder neutron diffraction were performed for x=0.25, 0.5 and 0.75. All compounds order antiferromagnetically and form ferromagnetic basal planes stacked along the c axis (q=(0,0,q_z) propagation). The ground-state phase (AF3) of UNi_2Si_2 is an uncompensated AF structure (++- stacking (q_z=2/3)). In UPd_2Si_2 the ground-state phase corresponds to the simple AF structure AF2 (+-+-(q_z=1)). In solid solutions, no traces of the AF3 phase were found for x=0.25 and the ground-state powder patterns correspond to AF2 for x#>=#0.25. (orig.)

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Crystals of a new ternary samarium rhenium oxide, Sm{sub 3}ReO{sub 7} were obtained by subsolidus reaction of samariumsesquioxide and rheniumdioxide (ratio 1.5:1) in sealed Pt-10Rh-tubes at 1673 K. The structure was determined by single-crystal X-ray diffraction. Sm{sub 3}ReO{sub 7} crystallizes in the orthorohombic system with unit cell dimensions a = 10.736(5), b = 7.392(3), and c = 7.519(3) in space group Cmcm (No. 63) with Z = 4. The structure consists of ReO{sub 6} octahedra, distorted SmO{sub 6} octahedra, and SmO{sub 8} prisms that are interconnected to each other to form a three-dimensional network. Rhenium has the formal oxidation state of +5 but no metal-metal bond is observed in this compound. The observed magnetization in the temperature range 4 K < T < 52 K is explained by a Curie-Weiss law modified by a temperature independent Van Vleck paramagnetism of samarium (3+).

Science.gov (United States)

The chemical reaction between nitric acid and sodium chloride was investigated in onder to provide preliminary information for subsequent studies on the interaction between simulated Purex waste solution and salt. The reaction is characterized by the production of chlorine and nitrosyl chloride and can be considered to be the same as the aqua regia reaction. Within the limits of the conditions imposed by the projected field studies, the acid concentration and temperature are the two parameters which control the extent of the interaction. (auth)

International Nuclear Information System (INIS)

The pitting corrosion resistance of three different types of stainless steel implanted with silicon is investigated using the potentiokinetic polarization technique. The specimens are tested in 3% NaCl and 0.1 N HCl solutions. Silicon ion implantation inhibits pitting corrosion of the steels in both aqueous media. The corrosion resistance depends on the silicon dose. Post implantation annealing only slightly alters the localized corrosion. (author).

International Nuclear Information System (INIS)

A method for enrichment of the ppb level of cadmium in water by using the coagulation of soybean protein by adding acids or its complex-forming character with heavy metal ions was investigated. After adding fixed amounts of soybean milk and 2% sodium diethyldithiocarbamate(DDTC) aqueous solution and a suitable amount of delta-gluconic lactone (delta-GL) to a sample solution, the mixture was heated to boiling in order to coagulate the protein. The coagulum(soybean curd) was separated from the suspension by centrifugation and burned to ashes with a low temperature plasma asher. Then the cadmium enriched in it was determined by atomic absorption spectrometry. Various factors such as the pH of the sample solution, the amounts of soybean milk and the collection additives, and the concentration of NaCl in the sample solution on the recovery of cadmium were examined systematically. The best recovery was obtained under the following conditions: To a certain amount of ...

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Corrosion characteristics of Al and Cu thin films have been studied in cyclic fog tests using tap water fog and fog created with 0.1% NaCl solution in tap water. Likewise, their corrosion features have been analyzed in continuous immersion testing in the laboratory in distilled water, tap water, in 0.1% NaCl and 3.5% NaCl solutions in distilled water. The corrosion potentials and the corrosion currents of these thin films change and reach steady state values after some time. However, steady state is not realized in 3.5% NaCl solutions. The corrosion current density data have been used to calculate lifetime of 1 {mu}m thick thin films of Al and Cu in the various tests, and assuming that the fog test data would hold under normal exposure conditions, life spans for these thin film sensor elements in actual exterior exposure have also been calculated. According to estimates, an Al-TF of about 1 {mu}m would ...

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In order to understand the chemistry of altermetal dopants in antimony oxide, the detailed structural characterization of two ..beta..-Sb/sub 2/O/sub 4/ compounds is reported, Mo-doped ..beta..-Sb/sub 2/O/sub 4/ (1.5 metal%) and V-doped ..beta..-Sb/sub 2/O/sub 4/ (5 metal%). The methods used to characterize these materials are X-ray and neutron diffraction, scanning electron microscopy, Mo K-edge extended X-ray absorption fine structure spectroscopy, and elemental analysis. The atomic position of each of these dopants in Sb/sub 2/O/sub 4/ is radically different as is the overall effect on the host structure. Molybdenum does not substitute for Sb atoms, rather the Mo atoms are found in channels of electron density formed by Sb/sup 3 +/ lone pairs. The two nearest Sb/sup 3 +/ are absent and the oxygen stoichiometry is preserved. The formula is Sb/sub 1.97/Mo/sub 0.015/O/sub 4/. Vanadium incorporates ...

British Library Electronic Table of Contents (United Kingdom)

In this paper we describe how cleavable surfactants decompose into water-insoluble silanols and two water-soluble products when subjected to vacuum plasma treatment. We used Raman spectroscopic analysis to confirm these structural changes, and we performed contact angle measurements and employed scanning electron microscopy to observe the surface morphologies of these compounds. Our contact angle measurements confirm that the products had degraded on nylon fabrics during argon gas plasma treatment. All of the PEG-silicone polyesters displayed excellent water-repellency; PEG6000-silicone exhibited the largest contact angle (130?) and, hence, the greatest water-repellency. Our results indicate that the silanols that form upon plasma treatment may be useful in coatings applications. We also f...

British Library Electronic Table of Contents (United Kingdom)

In this study polycrystalline specimens of as-cast DyCu with B2 crystal structure were compressed to different strains at room temperature to test if stress-induced phase transformation and twinning occur during deformation. In these tests DyCu exhibited high ductility with plastic strain as high as 35% and ultimate compressive strength of ~790MPa. X-ray diffraction and transmission electron microscopy (TEM) showed no indications that DyCu had undergone stress-induced phase transformation or twinning. -type dislocations have been observed to play an important role for imparting the ductile behavior. TEM analyses showed the presence of second phases, Dy2O3 and DyCu2 within the DyCu. The mechanisms of ductility and impurity phase formation are discussed.

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The direct addition of nickel powder to the reaction mixtures of 1,3-dialkyl-4,5-dioxoimidazolidine-2-thione (1) with the thionation Lawesson reagent produces [Ni{sup II}(R{sub 2}timdt{sup -}){sub 2}] (R{sub 2}timdt = 1,3-dialkylmidazolidine-2,4,5-trithione). These complexes belong to a new class of nickel-dithiolenes, showing remarkably high absorption ({epsilon} {approx} 80 000 dm{sup 3} mol{sup -1} cm{sup -1}, {lambda} {approx} 1000 nm) in the near-infrared region (near-IR), accompanied by high photochemical stability that makes these complexes promising near-IR dyes.

International Nuclear Information System (INIS)

By methods of vibrational (infrared, Raman) and PMR spectroscopy, crystallohydrate forms of monosubstituted uranyl orthophosphate have been examined. The vibrational frequencies of the groupings from the compounds were identified. The existence of non-equivalent H_2PO_4"--groups in the substances under investigation was ascertained. It has been suggested that one of them is a bridged group, and the other is the end group. A fragment of the VO_2(H_2PO_4)_2 hydrate structure is given, its main constituents being uranylphosphate chains. The analysis of water vibrations assumes coordination of one mole of H_2O in VO_2(H_2PO_4)_2:3H_2O to uranium, while two other molecules are only hydrogen-bonded with phosphate anions. Absorption within the region of 2100-2550 cm"-"1 is assigned to vibrations of O...H...O groupings.

British Library Electronic Table of Contents (United Kingdom)

Premnalatifolin A (1), a unique icetexane diterpene dimer was isolated from the stem-bark of Indian medicinal plant, Premna latifolia. Its structure and relative stereochemistry were elucidated on the basis of detailed spectroscopic analysis, including HRESIMS and 2D NMR (COSY, HSQC, HMBC, and NOESY) spectra. The compound has dimeric carbon skeleton composed of two icetexane skeletal diterpenes linked via ether bond. Further, premnalatifolin A (1) was also evaluated for its cytotoxicity against cancer cell lines (HT-29, A-431, MCF-7, Hep-G2, PC-3, A-549, B-16 F10, and ACHN), which displayed potent activity against HT-29 and MCF-7 cell lines with the IC50 values of 12.15 and 1.11mg/mL, respectively.

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Lipophilic tertiary amines attached to cylcopentadienyl technetium-99m tricarbonyl (cytectrene) have been prepared with high radiochemical yield and purity. Biodistribution studies in mice showed that [{sup 99m}Tc]-cytectrenes, containing in their structure an N-methylpiperidine, were accumulated in the brain up to 2.8% of injected dose with high brain-to-blood ratios at 15 min p.i. They therefore indicate some potential as brain imaging agents. It has to be pointed out that the N-methylpiperidine ester showed similar biological behaviour as the keto derivatives. This indicates that the conversion to polar metabolite(s) via hydrolysis of the ester group - as described for [{sup 99m}Tc]-ECD -is not essential for brain retention. (Author).

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The thermodynamic characteristics of adsorption (TCA) on the basal face of graphite have been calculated in terms of the semiempirical molecular statistical theory of adsorption for molecules of O-, S-, and Se-containing heteroadamantanes of different structure and isostructural cyclohexane derivatives. The influence of the nature, number, and position of heteroatoms in the adamantane framework on the TCA values was studied in detail, which made it possible to predict the retention of the compounds considered on the surface of graphitized thermal carbon black under the conditions of equilibrium gas adsorption chromatography. The introduction of each subsequent heteroatom into a polyheteroadamantane molecule makes a non-additive contribution to the TCA values. The contributions of various f...

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The proposed active sites on the catalyst surface in heterogeneous propylene ammoxidation have been successfully modelled by structurally characterized pinacolato W(VI) tert-butylimido complexes. These compounds exist as an equilibrating mixture of amine-bis(imido) and imido-bis(amido) complexes, the position of this equilibrium is dependent on the electronic nature of the glycolate ligand. Both of the C-N bond-forming reactions proposed in recent studies by Grasselli et al. (1) have been reproduced using discrete Group VI d{sup 0} organoimido complexes under mild conditions suitable for detailed mechanistic studies. These reactions are: (1) oxidative trapping of radicals at molybdenum imido sites, and (2) migration of the allyl group from oxygen to an imido nitrogen atom.

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Thin Pt, Pd, Pt/sub 2/Si, PtSi, Pd/sub 2/Si, Ni, Mo, W, Nb, Ti, V films deposited on Si single crystal were treated by using electron beam pulses of 60 ns duration in the 0.4-4 J/cm/sup 2/ energy density range. Irradiation of these structures produces at the same time many phases. Post-thermal annealing of the reacted layer induces the formation of a stable phase, the same obtained by only thermal treatment in a conventional furnace. A linear relationship between the energy density range and the lowest eutectic temperature of the compounds formed has been found. Further SEM observations seem to identify a liquid layer from which the phases are forming by subsequent fast cooling.

International Nuclear Information System (INIS)

A spectrophotometric study has been made of the complex formation of vanadium (3) with arsenazo(1), arsenazo(3) and some monosubstituted derivatives of chromotropic acid and sulphanylamides. In acid medium vanadium (3) reacts with each of these reagents to produce a 1:1 complex. Optimum conditions of the complex formation was found. The effect of H"+ on the complex formation of vanadium (3) with chromotropic acid derivatives was established. It was found by the graphical method that the formation of the complex is accompanied by the elimination of one proton. Patterns were found of the influence of the nature of substituents in the organic compound on the ionization constants of acid groups and stability of complexes. Molar extinction coefficients, equilibrium constants of the formation reactions and instability constants for the complexes were calculated. The structure of complexes was suggested. Similar behaviour of all the reagents was ...

International Nuclear Information System (INIS)

The phytochemical investigation of Chomelia obtusa leaves led to the isolation of four triterpenes (3-O-#beta#-D-quinovopyranosyl-28-O-#beta#-D-glycopyranosyl quinovic acid, 3-O-#beta#-D-quinovopyranosyl-28-O-#beta#-D-glycopyranosyl cincholic acid, and a mixture of ursolic and oleanolic acids), two flavonoids (3-O-#beta#-D-glycopyranosyl quercetin, 3-O-[#alpha#-L-rhamnopyranosyl-(1#->#6)-#beta#-D-galactopyranoside] quercetin), besides bornesitol and a mixture of 3,5- and 4,5-O-dicaffeoyl quinic acids. The structures of the isolated compounds were assigned on the basis of spectroscopic data, including two-dimensional NMR methods. The anti-inflammatory and antioxidant activities of the crude methanolic extract and of its fractions were evaluated. This is the first report on the chemical and biological investigation of the Chomelia genus. (author)

British Library Electronic Table of Contents (United Kingdom)

4-Methylcoumarins that possess two hydroxyl groups ortho to each other in the benzenoid ring have shown to have excellent antioxidant and radical-scavenging properties in different experimental models. Furthermore, they cannot be metabolized by the liver P450 monoxygenases and thus cannot form 3,4-coumarin epoxides, which are believed to be mutagenic. Herein, we present a study on the structure activity relationship of eight synthetic 4-methylcoumarins, carried out by employing a series of different chemical cell-free tests. These compounds were tested by means of three assays involving one redox reaction with the oxidant (DPPH assay, ABTS+ assay and FRAP). Other assays were employed to evaluate the antioxidant properties of the coumarins under investigation against NO, O2- and HClO, which...