CERN Document Server

Jahn-Teller theorem, proposed in 1937, predicts a distortional instability for a molecule that has symmetry based degenerate electronic states. In 1939 Krishnan emphasized the importance of this theorem for the arrangement of water molecules around the transition metal or rare earth ions in aqueous solutions and hydrated saltes, in a short and interesting paper published in Nature by pointing out atleast four existing experimental results in support of the theorem. This paper of Krishnan has remained essentially unknown to the practitioners of Jahn-Teller effect, eventhough it pointed to the best experimental results that were available, in the 30's and 40's, in support of Jahn-Teller theorem. Some of the modern day experiments are also in conformity with some specific suggestions of Krishnan.

Science.gov (United States)

... No. 52. Metal Complexew-I. Preparation and Physical Properties of Transition Metal Complexes of 6-Mercaptopurine and ,-Mercapto-6, 7-Diphenyl ...

Science.gov (United States)

... No. 52. Metal Complexes-I. Preparation and Physical Properties of Transition Metal Complexes of 6-Mercaptopurine and 4-Mercapto-6, 7-Diphenyl ...

International Nuclear Information System (INIS)

The variation in the superconducting properties of various binary alloys of transition metal-germanium systems was surveyed by studying sputter deposited samples prepared under various conditions. The primary interest has been to study the formation of the stoichiometric A-15 compounds T_3Ge.

International Nuclear Information System (INIS)

The effect of high energy neutron irradiation (E > 1 MeV) on the superconducting transition temperature, Tsub(c), of the A-15 compound Mo_3Os is reported. Tsub(c) was found to decrease with increasing neutron dose, but at a rate considerably less than observed in other A-15 compounds composed of non-transition metals. The results lend support to the idea that the effect of ordering on Tsub(c) is smaller for A-15 compounds composed only of transition metals than those composed of transition and non-transition metals. (author).

Science.gov (United States)

Transition-metal chemistry in ionic liquids (IL) has achieved intrinsic fascination in the last few years. The use of an IL as environmental friendly solvent, offers many advantages over traditional materials synthesis methods. The change from molecular to ionic reaction media leads to new types of materials being accessible. Room-temperature IL have been found to be excellent media for stabilising transition-metal clusters in solution and to crystallise homo- and heteronuclear transition-metal complexes and clusters. Furthermore, the use of IL as solvent provides the option to replace high-temperature routes, such as crystallisation from the melt or gas-phase deposition, by convenient room- or low-temperature syntheses. Inorganic IL composed of alkali metal cations and polynuclear transition-metal cluster anions are also known. Each of these areas will be discussed briefly in this ...

International Nuclear Information System (INIS)

An important application of metal hydrides is as a moderator material in nuclear reactors. The fundamental properties of hydrides are illustrated and an impression given of the current research into hydrogen in transition metals. Phase diagrams, magnetic properties, temperature dependence of the diffusion coefficient, energy level schemes and superconductivity are considered. (C.F.).

Energy Technology Data Exchange (ETDEWEB)

The purpose of the invention is a process for the production of a particularly finely divided, homogeneous transition metal phosphide and transition metal chalcogenide of Daltonian stochiometry by the conversion of at least one powder transition metal or a transition metal alloy with phosphorus or with a chalcogen at raised temperature, which is characterized by the fact that the conversion is carried out in the presence of at least one inert finely divided auxiliary material which is soluble in water and does not sinter together at the reaction temperature, and that the conversion produce removes the auxiliary material. Even relatively small quantities of the auxiliary material are sufficient to ensure rapid and homogeneous conversion of the reaction partners to the reaction product having a large surface. A ratio of 1 ...

International Nuclear Information System (INIS)

Apart from conventional phase transitions driven by the thermal effects, quantum phase transitions generated by quantum fluctuations have their own mechanisms that are reflected in critical phenomena. Quantum phase transitions have an origin from spontaneous symmetry breaking commonly to thermal phase transitions. Even in this case, inherent quantum fluctuations substantially modify and yield new aspects. Quantum phase transitions have, however, another mechanism caused by topology changes, which gives completely new characters. Recently, a mechanism which connects these two has been found. Proimities from first-order transitions and phase separatins as well as from multiphase coexistence also generate characteristic and unconventional quantum criticalities. Understanding novel quantum criticalities offers a firm basis of recent active researches on fields such ...

UK PubMed Central (United Kingdom)

The transition-metal-catalyzed functionalization of C-H bonds is a powerful method for generating carbon-carbon...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

The L edge absorption of Pd, Ag, Sn, In, and CsI was measured in order to study the density of states and the unoccupied d states. 4 figures. (DLC)

International Nuclear Information System (INIS)

The evolution of metallic substance atomic structure is studied on temperature variation including crystal heating up to melting points, a crystal- liquid phase transition and initiation of a high-density liquid specific structure. It is marked that heat induced changes of simple metal structure can be described as changes around a natural elementary cell which is common for both a crystal and a liquid and consists of a central atom and Z_1 atoms of the first coordination sphere. On this basis the vacancy model of melting is verified. Concentrations of melting vacancies are determined by coordination numbers in the form of Z_1/(1+Z_1)"2 which are the same for both a crystal and a natural elementary cell. The size of natural elementary cells is in an agreement with that of the coordination sphere featured in the liquid and phase transition statistical theory. Calculated data are given for a number of ...

Energy Technology Data Exchange (ETDEWEB)

We report a study of the nonmetal-metal transition of free-standing Pd{sub N} clusters (2{<=}N{<=}21) carried out through two different theoretical approaches that are extensively employed in electronic structure calculations: a semi-empirical tight-binding (TB) model and an ab initio DFT pseudopotential model. The calculated critical size for the metallic transition decreases rapidly with the temperature and an oscillatory dependence with the cluster size is obtained, particularly in the DFT approach. The TB model describes the metallic behavior for cluster sizes beyond N{approx}12 well. Our obtained critical size at room temperature is of the order of the experimental estimation.

Energy Technology Data Exchange (ETDEWEB)

In a recent publication [I. Galanakis, K. Ozdog-tilde an, E. Sasiog-tilde lu, B. Aktas, Phys. Rev. B 74 (2006) 140408(R)] we have shown that in the case of CrAs and related transition-metal chalcogenides and pnictides, crystallizing in the zinc-blende structure, the excess of the transition-metal atoms leads to half-metallic ferrimagnetism. The latter property is crucial for spintronic applications with respect to ferromagnets due to the lower stray fields created by these materials. We extend this study to cover the case where the transition-metal atoms sitting at antisites are not identical to the ones in the perfect sites. In Cr-based compounds, the creation of Mn antisites keeps the half-metallic ferrimagnetic character produced also by the Cr antisites. In the case of VAs, Cr and Mn antisites keep the half-metallic character of VAs (contrary to V antisites) ...

Energy Technology Data Exchange (ETDEWEB)

The mechanism of chemical poisoning of model heterogeneously catalyzed reactions on transition metal surfaces is studied. Clean Mo(001) surfaces were characterized; results suggest a first-layer contraction of 10% of the bulk interlayer spacing. Characterization of clean Co(0001) surfaces is underway. Decomposition of formic acid on Mo(001) surfaces is being studied. (DLC)

CERN Document Server

Classic and recent results for gauge effects on the properties of the normal-to-superconducting phase transition in bulk and thin film superconductors are reviewed. Similar problems in the description of other natural systems (liquid crystals, quantum field theory, early universe) are also discussed. The relatively strong gauge effects on the fluctuations of the ordering field at low spatial dimensionality D and, in particular, in thin (quasi-2D) films are considered in details. A special attention is paid to the fluctuations of the gauge field. It is shown that the mechanism in which these gauge fluctuations affect on the order of the phase transition and other phase transition properties varies with the variation of the spatial dimensionality D. The problem for the experimental confirmation of the theoretical predictions about the order of the phase transitions in gauge systems is ...

Energy Technology Data Exchange (ETDEWEB)

We decided to investigate first the interaction of hydrogen with the 4d transition-metal series, with the first element being hcp Y. Because of the recent development of soft pseudopotentials, we chose to use the plane wave basis set to carry out the calculation. Since problems had been associated with the slow convergence in transition metals, we first tested the computational methods by studying the structural properties of Y; results were encouraging. We started the calculation of YH{sub x} with hydrogen occupying different interstitial sites.

CERN Document Server

We present metallicity estimates for seven open clusters based on spectrophotometric indices from moderate-resolution spectroscopy. Observations of field giants of known metallicity provide a correlation between the spectroscopic indices and the metallicity of open cluster giants. We use \\chi^2 analysis to fit the relation of spectrophotometric indices to metallicity in field giants. The resulting function allows an estimate of the target-cluster giants' metallicities with an error in the method of \\pm0.08 dex. We derive the following metallicities for the seven open clusters: NGC 1245, [m/H]=-0.14\\pm0.04; NGC 2099, [m/H]=+0.05\\pm0.05; NGC 2324, [m/H]=-0.06\\pm0.04; NGC 2539, [m/H]=-0.04\\pm0.03; NGC 2682 (M67), [m/H]=-0.05\\pm0.02; NGC 6705, [m/H]=+0.14\\pm0.08; NGC 6819, [m/H]=-0.07\\pm0.12. These metallicity estimates will be useful ...

Energy Technology Data Exchange (ETDEWEB)

A process for the production of transportation fuels from heavy hydrocarbonaceous feedstock is provided comprising a two-stage, close-coupled process, wherein the first stage comprises a hydrothermal zone into which is introduced a mixture comprising a feedstock and metals-impregnated red mud having coke-suppressing and demetalizing activity, and hydrogen; and the second, close-coupled stage comprises a hydrocatalytic zone into which substantially all the effluent from the first stage is directly passed and processed under hydrocatalytic conditions. The preferred metals for impregnation include transition metals, in particular, nickel and molybdenum.

International Nuclear Information System (INIS)

The federating theme of superconductivity has given rise to a number of experimental studies of point defects in solids as different as transition metals (V, Nb, ...), A-15 compounds (V_3Si, Nb_3Ge, ...), or perovskite-like copper oxides. Some of these experiments are presented here. (orig.).

Energy Technology Data Exchange (ETDEWEB)

The 52 papers discuss the following subjects: 1. Preparation and structural development; 2. Structural constitution; 3. Structural formation and phase transition; 4. Structure and mechanical properties; 5. Structural formation of metallic and nonmetallic materials; 6. Quantitative metallography, and 7. Quality assurance.

British Library Electronic Table of Contents (United Kingdom)

Metal iodates with a lone-pair containing I(V) that is in an asymmetric coordination geometry can form a diversity of unusual structures and many of them are promising new second homonic generation (SHG) materials. They exhibit wide transparency wavelength regions, large SHG coefficients and high optical-damage thresholds as well as moderately high thermal stability. In this paper, the structures and properties of the metal iodates are reviewed. The combination of d0 transition-metal cations with the iodate groups afforded a large number of metal iodates, with cations covering alkali metal, alkaline earth and lanthanide elements. Many of them are noncentrosymmetric (NCS) and display excellent SHG properties due to the additive effects of polarizations from both types of the asymmetric unit...

International Nuclear Information System (INIS)

Environmental and security concerns are stimulating global interest in hydrogen power, renewable energy, and advanced transportation technologies, but no significant movement away from oil and a carbon-based world economy is expected soon. Over the longer-term, however, a transition from fossil fuels to a non-carbon-based economy will likely occur, affecting the type of environment future generations may encounter. Key challenges will face the world's energy industry over the next few decades to ensure a smooth transition-challenges which will require government and industry solutions beginning as early as today. This paper identifies four critical challenges in energy and the choices which will have to be made on how best to confront growing pollution caused by fossil fuels and how to facilitate an eventual revolutionary-like transition to a non-carbon-based global economy.

International Nuclear Information System (INIS)

The electronic structure of octahedral metal atom clusters Me_6 of 3d, 4d, and 5d transition metal atoms (V, Cr; Nb, Mo; Ta, W) has been calculated applying two different quantum-chemical approximation methods (Extended Hueckel (EH) method; SW-Xsub(alpha) method). Equilibrium structures, energy level schemes, Fermi energies and band widths as well as densities of states of clusters are discussed in detail.

Energy Technology Data Exchange (ETDEWEB)

3d occupation numbers of the transition elements corresponding to various types of atomic configurations are calculated by means of the linear muffin-tin orbital (LMTO) method. This data is used with the multiconfiguration Dirac-Fock (MCDF) X-ray intensity ratios to estimate the electron populations of the 3d metals in alloys.

Energy Technology Data Exchange (ETDEWEB)

Stable strange quark matter produced in the QCD phase transition in the early universe will trap neutrons and repel protons, thus reducing primordial helium production, Ysub(p). For reasonable values of Ysub(p), the radius of strange droplets must exceed 10/sup -6/ cm if strange matter shall solve the dark-matter problem without spoiling Big Bang helium synthesis. (orig.).

British Library Electronic Table of Contents (United Kingdom)

This review focusses on spin crossover complexes with octahedral metal ions which are bound to a tetraazamacrocyclic ligand and additionally either to two monodentate ligands or to one bidentate ligand. Macrocyclic ligands with a sufficiently large ring size prefer to coordinate to metal ions in an equatorial fashion yielding trans-octahedral coordination environments. In contrast, twelve-membered tetraazamacrocycles with high steric rigidity, such as 2,11-diaza[3.3](2,6)pyridinophanes or 2,11-dithia[3.3](2,6)pyridinophane, are prone to form cis-octahedral complexes. While the electronic and the steric properties of the coordinated tetraazamacrocycle in trans-octahedral complexes are very likely responsible for the paucity of observed spin transitions, the cis-octahedral coordination mode ...

Energy Technology Data Exchange (ETDEWEB)

The crystal structure of Ca{sub 2}RuD{sub 6} has been determined by neutron powder diffraction: space group Fm3m, K{sub 2}PtCl{sub 6} structure, as found for other hexahydride salts of group 8 metals with alkaline earth or lanthanide counter ions. No structural phase transition was observed between 340 K and 50 K. The deuterium nuclear quadrupole coupling constant, 54.7 kHz, leads to an ionic character of the Ru-D bond of 76%. The known trends in the behaviour of A{sub 2}MH{sub 6} salts are interpreted in terms of the ionization energies of the cation and the central metal atom.

CERN Document Server

Although hydrogen is the simplest of atoms, it does not form the simplest of solids or liquids. Quantum effects in these phases are considerable (a consequence of the light proton mass) and they have a demonstrable and often puzzling influence on many physical properties, including spatial order. To date, the structure of dense hydrogen remains experimentally elusive. Recent studies of the melting curve of hydrogen indicate that at high (but experimentally accessible) pressures, compressed hydrogen will adopt a liquid state, even at low temperatures. In reaching this phase, hydrogen is also projected to pass through an insulator-to-metal transition. This raises the possibility of new state of matter: a near ground-state liquid metal, and its ordered states in the quantum domain. Ordered quantum fluids are traditionally categorized as superconductors or superfluids; these respective systems feature dissipationless electrical ...

Energy Technology Data Exchange (ETDEWEB)

Self-consistent electronic structure calculations have been performed on two compositions of scandium sulfide ScS and Sc/sub 3/S/sub 4/. The results of the calculation of ScS are similar to those obtained for other transition metal chalcogenides and are in excellent agreement with heat capacity and reflectance measurements as well as UPS experiments. The calculation of the defect structure indicates the creation of sulfur p nonbonding states in metal-deficient ScS. The valency of the metal ions remains unchanged upon the creation of vacancies.

Energy Technology Data Exchange (ETDEWEB)

In the early 1970s Yang and Menichelli demonstrated that direct laser illumination of low-density secondary explosive prr:ssings through a transparent window could produce detonation. 'The energy requirement for threshold initiation of detonation was reduced when a thin metal coating of metal covered the side of the window against which the low-density explosive was pressed. We have obtained experimental results that are in general agreement with the results of Renllund, Stanton and Trott (1 989) and recent: work by Nagayama, hou and Nakahara (2001). We report exploration of the effects of laser beam diameter, PEiTN density and specific surface area, and thickness of a titanium coating on the window.

International Nuclear Information System (INIS)

Phase transformations in TiD_#approx#_0_._7_5 subjected to high-pressure treatment were investigated by simultaneous real-time measurements of neutron diffraction and small-angle neutron scattering. The neutron spectra were taken on heating the samples in temperature ranges 100 to 300 K and 300 to 870 K. A sequence of structural transitions was observed, which involves 7 different phases and intermediate states with hcp, fcc, fco or bcc metal sublattices and hydrogen atoms. 30 refs., 9 figs., 1 tab.

British Library Electronic Table of Contents (United Kingdom)

Recent advances in nanoscience have raised interest in the minimum bit size required for classical information storage. This bit size is determined by the necessity for bistability with suppressed quantum tunnelling and energy barriers that exceed ambient temperatures. In the case of magnetic information storage, much attention has centred on molecular magnets with bits consisting of about 100 atoms, magnetic uniaxial anisotropy energy barriers of about 50?K and very slow relaxation at low temperatures. Here, we draw attention to the remarkable magnetic properties of some transition-metal dimers, which have energy barriers approaching 500?K with only two atoms. The spin dynamics of these ultrasmall nanomagnets is strongly affected by a Berry phase, which arises from quasi-degen...

British Library Electronic Table of Contents (United Kingdom)

Based on the corrected phase diagrams proper growth conditions for Li2Zn2(MoO4)3 crystals are selected. Large crystals (up to 100 mm), both impurity-free and activated by transition metal ions (Cu, Cr), are grown by the low-gradient Czochralski method. By the EPR method the charge state and structural position of copper and chromium ions are determined. The performed studies of luminescent properties show that for impurity-free crystals luminescence with ? = 388 nm with a two-exponential luminescence decay with ?1 = 2 ns and ?2 = 6 ns is observed at room temperature. At 77 K for both impurity-free crystals and those activated with transition metal ions luminescence with ? = 560 nm and the luminescence lifetime ? = 100 ns is observed, the intensity of luminescence with ? = 560 nm depending ...

Energy Technology Data Exchange (ETDEWEB)

This report describes operations at SunLine Transit Agency for their newest prototype fuel cell bus and five compressed natural gas (CNG) buses. In May 2010, SunLine began operating its sixth-generation hydrogen fueled bus, an Advanced Technology (AT) fuel cell bus that incorporates the latest design improvements to reduce weight and increase reliability and performance. The agency is collaborating with the U.S. Department of Energy's (DOE) National Renewable Energy Laboratory (NREL) to evaluate the bus in revenue service. This report provides the early data results and implementation experience of the AT fuel cell bus since it was placed in service.

CERN Document Server

We report a new tetragonal ground-state for perovskite-structured PbCrO3 from DFT+U calculations, and explain its anomalously large volume. The new structure is stabilized due to orbital ordering of Cr-d in the presence of a large tetragonal crystal field, mainly due to off-centering of the Pb atom. At higher pressures (smaller volumes) there is a first-order transition to a cubic phase where the Cr-d orbitals are orbitally liquid. This phase-transition is accompanied by a ~11.5% volume collapse, one of the largest known for transition-metal oxides. The large ferroelasticity and its strong coupling to the orbital degrees of freedom could be exploited to form potentially useful magnetostrictive materials

British Library Electronic Table of Contents (United Kingdom)

Objective.The interest of dental research in metal-free restorations has been rising in the last 20 years following the introduction of innovative all-ceramic materials in the daily practice. In particular, high strength ceramics and related CAD/CAM techniques have widely increased the clinical indications of metal-free prostheses, showing more favourable mechanical characteristics compared to the early ceramic materials.The purpose of the present paper is providing a brief review on the all-ceramic dental materials, evaluating pros and cons in the light of the most recent scientific results and of the authors? clinical experience.Materials. A structured review of the literature was given on the basis of medical and engineering papers published in the last decades on the use of dental cera...

International Nuclear Information System (INIS)

Several design options for improved passive circulation flow have been investigated for use in small, modular liquid metal cooled reactors (LMRs). The purpose is to enhance the transition to natural convection cooling following loss of forced circulation flow, reducing thermal transients experienced by the fuel and possibly eliminating the need for emergency pony-motor flow. Design details to minimize pressure drops may also enhance maximum equilibrium power levels possible under natural circulation only.

CERN Document Server

We study the production of gravitational waves from cosmic domain walls created during phase transition in the early universe. We investigate the process of formation and evolution of domain walls by running three dimensional lattice simulations. If we introduce an approximate discrete symmetry, walls become metastable and finally disappear. We calculate the spectrum of gravitational waves produced by collapsing metastable domain walls. Extrapolating the numerical results, we find the signal of gravitational waves produced by domain walls whose energy scale is around 10^10-10^12GeV will be observable in the next generation gravitational wave interferometers.

Science.gov (United States)

Kbeta-to-Kalpha X-ray intensity ratios of Ti and Ni have been measured in pure metals and in alloys of Ti(x)Ni(1-x) (x=0.7, 0.6, 0.5, 0.4 and 0.3) following excitation by 22.69 keV X-rays from a 10 mCi (109)Cd radioactive point source. The valence-electron configurations of these metals were determined by corporation of measured Kbeta-to-Kalpha X-ray intensity ratios with the results of multiconfiguration Dirac-Fock calculation for various valence-electron configurations. Valence-electron configurations of 3d-transition metals in alloys indicate significant differences with respect to the pure metals. Our analysis indicates that these differences arise from delocalization and/or charge transfer phenomena in alloys. Namely, the observed change of the valence-electron configurations of metals in alloys can be explained with the transfer of 3d electrons from one ...

CERN Document Server

We present a set of structural parameters for the central parts of 57 early-type galaxies observed with the Planetary Camera of the Hubble Space Telescope. These parameters are based on a new empirical law that successfully characterizes the centers of early type galaxies. This empirical law assumes that the surface brightness profile is a combination of two power laws with different slopes gamma and beta for the inner and outer regions. Conventional structural parameters such as core radius and central surface brightness are replaced by break radius r_b, where the transition between power-law slopes takes place, and surface brightness mu_b at that radius. An additional parameter alpha describes the sharpness of the break. The structural parameters are derived using a chi-squared minimization process applied to the mean surface brightness profiles. The resulting model profiles generally give very good agreement to the ...

Science.gov (United States)

Manganese oxides precipitated from aerated well sea water at the Marine Science Museum, Tokai University, have been analyzed chemically and mineralogically. The O / Mn ratios are lower in todorokite than in birnessite but these minerals have similar contents of minor transition metals, which can be taken up additionally from sea water after the precipitation of Mn oxides. On the basis of these results, the genesis of Mn minerals is discussed in relation to marine Mn nodules.

International Nuclear Information System (INIS)

In Ce(Ru_1_-_xPd_x)_2Si_2 the dilution of the transition metal leads to strong electronic effects resulting in the disappearance and the appearance of long-range magnetic order in CePd_2Si_2 and CeRu_2Si_2, respectively. ((orig.)).

International Nuclear Information System (INIS)

It if first shown, that the effective field of uniaxial magnetic anisotropy of Fe-Cr-P-C and Fe-Ni-B-Si system amorphous alloys is reduced with an increase of the source melt isothermal exposure time. The behaviour noted is conditioned by microcoherence and relaxation processes in the nonequilibrium liquid phase after crystal-liquid phase transition.

Energy Technology Data Exchange (ETDEWEB)

Properties of highly correlated electrons, such as heavy fermion compounds, metal-insulator transitions, one-dimensional conductors and systems of restricted dimensionality are studied theoretically. The main focus is on Kondo insulators and impurity bands due to Kondo holes, the low-temperature magnetoresistivity of heavy fermion alloys, the n-channel Kondo problem, mesoscopic systems and one-dimensional conductors.

International Nuclear Information System (INIS)

Observed 7-eV satellites in the XPS spectra of UGa_2 and other B-group compounds are shown to be due to two-hole final states as confirmed by existing Auger data. The presence of these satellites is an indication for a weak fd hybridization and, when compared to uranium--transition-metal compounds, increased 5f localization.

Science.gov (United States)

Some acylhydrazine derived ONO donor Schiff bases and their Co(II) and Ni(II) complexes have been prepared having the same metal ion (cation) but different anions. These synthesized metal(II) complexes have been characterized on the basis of their elemental analyses, magnetic moment, molar conductance, and IR and electronic spectral data. All of the Schiff base ligands function as tridentates and the deprotonated enolic form is preferred for coordination. In order to evaluate the effect of anions on the bactericidal activity, these synthesized complexes, in comparison to the uncomplexed Schiff bases have been screened against bacterial species., Escherichia coli, Staphylococcus aureus and Pseudomonas aeruginosa and the results are reported. PMID:18475936

Science.gov (United States)

Since the elucidation of the structure of double helical DNA, the construction of small molecules that recognize and react at specific DNA sites has been an area of considerable interest. In particular, the study of transition metal complexes that bind DNA with specificity has been a burgeoning field. This growth has been due in large part to the useful properties of metal complexes, which possess a wide array of photophysical attributes and allow for the modular assembly of an ensemble of recognition elements. Here we review recent experiments in our laboratory aimed at the design and study of octahedral metal complexes that bind DNA non-covalently and target reactions to specific sites. Emphasis is placed both on the variety of methods employed to confer site-specificity and upon the many applications for these complexes. Particular attention is given to the family of complexes recently designed that ...

Science.gov (United States)

Magmatic sulfide deposits are the most significant source of platinum-group elements (PGE) in the world. Key to understanding their genesis is determining the processes and timing of sulfide saturation, metal enrichment and crustal contamination. In this study, we have identified droplets of magmatic sulfide from the Platreef, South Africa, where droplets of sulfide have been trapped in the earliest crystallising phase, chromite. Due to their early entrapment at high temperatures, metal concentrations and ratios that they display are indicative of a very early-stage sulfide liquid in the system, as they will have cooled and fractionated within an essentially closed system, unlike interstitial blebs that crystallise in an open system as the magma cools. Analysis of these droplets in an opaque mineral like chromite by LA-ICP-MS is problematic as some of the fractionated inclusion is necessarily lost ...

Energy Technology Data Exchange (ETDEWEB)

Laser-assisted processing techniques for producing high-quality solar cell metallization patterns have been investigated, developed, and characterized. During the early stages, preliminary investigations were carried out on a variety of promising laser-assisted metallization schemes, and the best of these was selected for further development. A comprehensive literature search initially yielded information on state-of-the-art laser-assisted techniques for metal deposition such as laser chemical vapor deposition and laser photolysis of organometallics, as well as laser-enhanced electroplating. Initial experiments on laser-enhanced electroplating yielded very promising results with linewidths as narrow as 25 ..mu..m and local plating speeds as high as 12 ..mu..m/s being achieved. Metal deposition experiments were carried out utilizing laser-assisted pyrolysis of a variety of ...

International Nuclear Information System (INIS)

This paper reports on the superiority of zeolites over amorphous solids which is well documented for solid acid catalysts of industrial use. Crystalline supports, likewise, open attractive perspectives for catalysis by metals, alloys, and ligated metal clusters. Size and location of clusters can be controlled by careful design of the preparation conditions. Pore dimensions control the access of reactants to active sites and escape paths for products. Cage dimensions determine which transition states can be attained; window apertures are functional in isolating metal clusters from each other, thus preventing ther coalescence and growth. The ship-in-a-bottle method permits deisgn of fairly large active complexes entrapped in zeolite cages. Orientation of non-spherical molecules in a zeolite proe helps to direct their collision with a metal particle to the head on mode; however, ...

International Nuclear Information System (INIS)

The Fast Flux Test Facility (FFTF) is a 400 MWt sodium-cooled fast reactor operated by Westinghouse Hanford Company for the US Department of Energy to conduct fuels and materials testing in support of the US Liquid Metal Fast Breeder Reactor programme. Early in 1982, the FFTF began its first 100 day irradiation cycle. Since that time the plant has operated very well, achieving a cycle capacity factor of 94 per cent in the most recent irradiation cycle. The authors describe the results achieved in the first three cycles of operation and carrying through to the fourth reactor cycle which began in January 1984. (author).

International Nuclear Information System (INIS)

Synergism has been observed during inhibiting initiated oxidation of styrene or tetralin by organic phosphites in the presence of complex compounds of some transition metals. The results are given of non-additive intensification of antioxidative activity of triphenylphosphite (TPP) and tri-(4-methyl-6-tert.-- butyl)-phenyl-phosphite (TMBP) in the process of initiated oxidation of styrene or tetralin with addition of acetylacetonates of cobalt and vanadyl. During styrene oxidation, inhibition of the reaction with chelate complex of vanadyl is weakened considerably when phosphite is added into the reaction system. During tetralin oxidation, postcatalytic (or branched) oxidation is observed only for large concentration of vanadyl complex. Addition of TPP to above complex sharply increases the induction period. When the induction period is completed, oxidation of tetralin follows the mechanism of usual, i.e. initiated, reaction.

International Nuclear Information System (INIS)

To clarify the fragmentation mechanism of a molten metallic fuel jet in a sodium pool under high-ejection-velocity conditions that correspond to the medium- and high-burnup conditions in the metallic fuel core of liquid-metal-cooled fast breeder reactors, a series of experiments with molten copper as a metallic fuel simulant and a sodium pool was carried out. Under low-ejection-velocity conditions in the range of an ambient Weber number (Wea) a ? 200, the size of the fragments is confirmed to be almost independent of the initial superheating of the jet. Furthermore, the size of the fragments agrees well with that evaluated using the Rayleigh-Taylor instability model, in which the fragment size is assumed to be equal to half the fastest growing wavelength. This result is qualitatively consistent with the characteristics that the molten jet column with large inertia force owing to the high ejection ...

International Nuclear Information System (INIS)

A series of tests were completed at the Fast Flux Test Facility to demonstrate the passive safety characteristics of liquid metal reactors with natural circulation flow. The first test consisted of transition from forced to natural circulation flow at an initial decay power of 0.3%. The second test represented an unprotected loss-of-flow transient to natural circulation from 50% power with the control rods prevented from scramming into the core. The third test was a steady-state, natural circulation condition with core fission powers up ato about 2.3%. Core sodium data and results of single and multi-channel computer models confirmed the reliability and effectiveness of natural circulation flow for liquid metal reactor safety.

Energy Technology Data Exchange (ETDEWEB)

This paper describes the search for new potential chemotherapeutic agents based on transition metal complexes with planar ligands. In this study, palladium polypyridyl complexes were synthesized and characterized by elemental analysis, NMR, UV-VIS and IR spectroscopies. The interaction of the complexes with DNA was also investigated by spectroscopic methods. All metal-to-ligand charge transfer (MLCT) bands of the palladium polypyridyl complexes exhibited hypochromism and red shift in the presence of DNA. The binding constant and viscosity data suggested that the complexes [PdCl{sub 2}(phen)] and [PdCl{sub 2}(phendiamine)] interact with DNA by electrostatic forces. Additionally, these complexes induced an important leishmanistatic effect on L. (L.) mexicana promastigotes at the final concentration of 10 {mu}mol L{sup -1} in 48 h. (author)

British Library Electronic Table of Contents (United Kingdom)

A novel liquid phase alkylation of aniline with methanol over Zn/Cu salts modified kaolin assisted with a pair of porous carbon electrode in slurry-bed reactor under constant current intensity, room temperature and atmospheric pressure was reported. The Zn/Cu salts modified kaolin catalysts were synthesized and characterized by infrared spectrometer (IR), powder X-ray diffraction (XRD) and scanning electron microscopy (SEM), which showed that the transition metals were completely supported on kaolins structure and formed a pored one. The effect parameters, such as initial pH, electrolysis time, metal ratio with kaolin and salts composition in this electrochemical catalytic system, were studied. The procedure was inspected by ultraviolet-visible spectrum (UV-vis), and the product distributi...

British Library Electronic Table of Contents (United Kingdom)

The approval (2003) and enforcement (2005) of a smoking ban in Italy have been viewed by many as an unexpectedly successful example of policy change. The present paper, by applying a processualist approach, concentrates on two policy cycles between 2000 and 2005. These had opposing outcomes: an incomplete decisional stage and an authoritative decision, enforced two years later. Through the analysis of the different phases of agenda setting, alternative specification and decision making, we have compared the quality of participation of policy entrepreneurs in the two cycles, their political strategies and, in these, the relevance of issue image. The case allows us to direct the attention of scholars and practitioners to an early phase of the policy implementation process - which we have nam...

Energy Technology Data Exchange (ETDEWEB)

The effect of accelerated thermal cycling on a joint between modified 9Cr-1Mo steel (Grade 91) and Alloy 800 welded with Inconel 82 and 182 filler material is discussed. This is part of a trimetallic transition joint involving Grade 91-Alloy 800-316LN austenitic stainless steel for steam generator application. It has been shown that, during thermal cycling following the typical post-weld tempering treatment at 760 deg. C for 2 h, no carbon diffusion occurs from the ferritic steel towards the weld metal. There is, in fact, a hardness increase at the ferritic steel/weld metal interface which is probably a result of work hardening. Carbon migration sets in only after unusually long post-weld heat treatments for 20 and 50 h at 760 deg. C followed by thermal cycling. Significantly, even under the most severe thermal cycling test conditions imposed, no cracking or oxide notching could be detected, thus demonstrating the superior ...

British Library Electronic Table of Contents (United Kingdom)

The alloying effects on K to L shell vacancy transfer probabilities (?KL) in 3d transition metals have been carried out by X-ray fluorescence studies of various alloy compositions. K X-ray intensity ratios of Ti, Cr, Fe, Co, Ni, and Cu elements in the FexNi1?x, FexCr1?x, NixCr1?x, FexCryNi1?(x+y), TixNi1?x, TixCo1?x, and CoxCu1?x alloys have been measured following excitation by 22.69keV X-rays from a 10 mCi 109Cd radioactive point source and ?KL values for alloying elements have been determined from these ratios. The spectrum of characteristic K-X-ray photons from samples were detected with a high resolution Si(Li) detector coupled to a 4 K multichannel analyzer. The present investigation makes it possible to ...

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Sol-gel chemistry has a great many potential applications in the preparation of unique electrochemical materials, from non-equilibrium transition metal oxides which may be of use as high energy density electrodes, to high-surface area mixed oxides which may possess high proton conductivity, to novel composite structures consisting of inorganic gels in combination with organic, electronic, and ionic conductors. This paper reviews prior work on proton conduction in gel systems and presents recent work regarding electrode materials prepared by sol-gel methods and inorganic-organic materials.

British Library Electronic Table of Contents (United Kingdom)

A new coumarin-based sensor molecule (L1) has been synthesized and this was found to bind calcium and magnesium ions more effectively as compared to other alkali/alkaline earth/lanthanide and certain transition metal ions. A significant enhancement in fluorescence intensity was observed on binding to Ca2+ and Mg2+ ions; while a minor quenching was observed for weakly bound Hg2+, Ni2+, Fe3+, and Co2+ ions. PET process, coupled with the ICT process, is proposed to explain the observed spectral response.

International Nuclear Information System (INIS)

This paper reports several design options for improved passive circulation flow investigated for use in small, modular liquid metal cooled reactors (LMRs). The purpose is to enhance the transition to natural convection cooling following loss of forced circulation flow, reducing thermal transients experienced by the fuel and possibly eliminating the need for emergency pony-motor flow. Design details to minimize pressure drops may also enhance maximum equilibrium power levels possible under natural circulation only.

Energy Technology Data Exchange (ETDEWEB)

Chemical effects of L X-ray intensity ratios in niobium and molybdenum compounds were studied by electron and proton bombardments. L{sub {gamma}1} X-rays which involve transition of 4d electrons of the valence shell were found to be sensitive to the chemical environment. The L{sub {gamma}1}/L{sub {beta}1} X-ray intensity ratio increased with an increase of the 4d electron occupation of niobium or molybdenum in niobium or molybdenum compounds, showing that the chemical effects can be ascribed to the 4d electron behavior of the metallic atom in its compounds. (orig.).

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Use of hydrogen absorbing alloys in various practical applications is always connected with the problem of production of starting alloys. The transition from laboratory samples to small-scale production involves the change of furnace and its operation mode and this has an effect on the preparation method of mixture of starting metal. Also, for some applications such as thermosorption compressors the exact values of thermodynamical parameters of reaction are needed. In the present work we present the results of investigation of series Laves phase hydrogen-absorbing alloys which can be promising in for use in different devices. 1 ref.

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The Love Canal episode began the long battle on hazardous wastes in the United States. Obviously, the potential danger of hazardous wastes is one of the hottest issues among environmental professionals as well as the public. The problems of hazardous wastes in economically booming Taiwan are also alarming. Several farmlands in northern Taiwan were contaminated heavily by industrial effluents containing heavy metals (cadmium and lead) in the early 1980s. Regardless of the many studies that have been conducted about these polluted farmlands, there has not been any remediation - just a passive abandonment of farming activities with minimal compensation. This paper addresses a heavy-metal-contaminated fanning area. A pollution profile across time is delineated using information from the abundance of reports, and the contamination is modeled mathematically. The past, the present, and future exposures are also modeled. The ...

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The ortho-metalated Pt(II) complexes Pt(ppy)(CO)Cl (1), Pt(ptpy)(CO)Cl (2), and Pt(ppy)(Hppy)Cl (3) (where ppy and ptpy are respectively the ortho-C-deprotonated forms of 2-phenylpyridine and 2-p-tolylpyridine and Hppy is 2-phenylpyridine) have been prepared. The CO ligand is coordinated trans to the nitrogen atom of the ortho-metalated ligand and exerts a strong trans effect resulting in a relatively long Pt-N bond [2.114(19) {angstrom}]. This structure shows both the bidentate ppy ligand and the monodentate Hppy with the nitrogens of these ligands trans to each other. The UV/vis electronic absorption spectra of 1-3 have intense bands in the near-UV region ({approximately}375 nm) which have been assigned as metal to ligand charge transfer (MLCT) transitions, and higher energy bands were assigned as ligand-centered transitions. Each complex exhibits relatively long-lived structured ...

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This final report summarizes the results of our research under Contract No. DE-AC22-92PC92112, Novel Catalysts for Methane Activation. In this research we prepared and tested fullerene soots for converting methane into higher hydrocarbons. We conducted the methane conversions using dehydrocoupling conditions, primarily in the temperature regimes of 600{degrees}-1000{degrees}C and atmospheric pressures. The research was divided into three sections. The first section focused on comparing fullerene soots with other forms of carbon such as acetylene black and Norit-A. We found that the fullerene soot was indeed more reactive than the other forms of carbon. However, due to its high reactivity, it was not selective. The second section focused on the effect of metals on the reactivity of the soots, including both transition metals and alkali metals. We found that potassium could enhance the selectivities of ...

Energy Technology Data Exchange (ETDEWEB)

Lithium, with its strong reducing property and very low potential (-3.045 V/ENH), is one of the best material for electrodes. By combining lithium with an oxidizer, one can obtain an energy and electromotive force higher than with any other electrochemical couple. The density of lithium is low (0.534 g/cm{sup 3}) and thus, its specific capacity is higher than other classical anode materials. This article presents the technology of lithium batteries: 1 - presentation; 2 - negative electrodes: metallic lithium based, lithiated carbon based, transition metal compounds based negative electrodes; 3 - positive electrodes: 'low' voltage and 'high' voltage cathode materials; 4 - electrolytes: introduction, organic solvents and lithium salts-based electrolytes (case of the lithium anode battery, case of the lithium-ion battery), polymer electrolytes; 5 - metallic lithium anode ...

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Previous studies have documented dissimilatory growth of bacteria on solid Mn{sup 4+} oxide, but Mn{sup 3+} oxides have not been previously studied; here the authors have demonstrated for the first time the bacterial reduction of manganite. Strain MR-4 of Shewanella putrefaciens was able to grow on and rapidly reduce insoluble needle-shaped crystals of synthetic manganite (MnOOH), converting them to soluble Mn{sup 2+} in the process. The rate of Mn{sup 3+} reduction was optimal at pH of 7.0 and 26 C consistent with an enzymatic reaction. In addition the rates of reduction were in proportion to the amount of manganite added, but nearly independent of the cell concentration present (e.g., cell number had only a small effect on the rate of Mn{sup 3+} reduction at early stages of growth) suggesting that surface properties were dictating the rates of metal reduction. This thesis was supported by major differences in reduction rates when Mn oxides of ...

Energy Technology Data Exchange (ETDEWEB)

The Ordos Basin is a typical lapped basin, including three sequences of strata: early Paleozoic, late Paleozoic and Mesozoic, with a total thickness of 4000-6000m. Impermeable sealing beds are well developed at the top and base of the upper Paleozoic sequence, separating it from the Mesozoic and the lower Paleozoic strata to form an independent petroleum system. In this petroleum system, the source rocks are widely distributed coals and dark mudstones occurring in the Carboniferous-lower Permian coal measures, with a thickness of 10-15 and 40-60m, respectively. The reservoirs are mainly early Permian tight sandstones, mostly with a porosity of 4-8% and a permeability of 0.1-1.0x10{sup -3}{mu}m{sup 2}. The regional cap rock is a 100-150m thick mudstone in the upper Permian strata. The structural framework of the basin is a huge asymmetric syncline, dipping gently toward the east and north, and steeply toward the south and west. Well data show ...

British Library Electronic Table of Contents (United Kingdom)

ABSTRACT New observations from the Hubble Ultra Deep Field suggest that the star formation rate at Formula Not Shown drops off faster than previously thought. Using a newly determined star formation rate for the normal mode of Population II/I (PopII/I) stars, including this new constraint, we compute the Thomson scattering optical depth and find a result that is marginally consistent with Wilkinson Microwave Anisotropy Probe 5 results. We also reconsider the role of Population III (PopIII) stars in light of cosmological and stellar evolution constraints. While this input may be needed for reionization, we show that it is essential in order to account for cosmic chemical evolution in the early universe. We investigate the consequences of PopIII stars on the local metallicity distribution fu...

Science.gov (United States)

One of the biggest fears and challenges a parent of a child with special needs faces is navigating the post-22 landscape. When a child hits the age of 22, the Department of Elementary and Secondary Education (DESE) is no longer required to provide daily services and support. Whatever the abilities, or disabilities, of a child, every parent has the same concerns about how their child will productively fill their days and live as independently as possible without the safety net of the DESE. One of the transition paths most frequented is entering the workforce. Public and private schools alike work to teach their students the basic skills they need to work. In fact, the national Individuals with Disabilities Education Act (IDEA) states that students must have a transition plan in formulation by the age of 16. This article describes the vocational program developed by the League School of Greater Boston which specifically addresses the challenges ...

Energy Technology Data Exchange (ETDEWEB)

Our goal was a process to convert methane to higher hydrocarbons oxidatively, since this circumvents thermodynamic yield limits of a strictly degydrogenative process. Keller and Bhasin converted thermodynamic yield limits of a strictly dehydrogenative process. Keller and Bhasin converted methane to higher hydrocarbons by using metal oxides as oxidants, without co-fed oxygen. They stated that selectivity is necessarily poor if gaseous oxygen is present. Jones and Sofranko have also used reducible metal oxides as oxidants in a group of their parents, but later used some of those materials with continuous O{sub 2} feed without much loss of selectivity. Baerns, Lunsford and Otsuka have shown that high selectivity could be possible with co-fed O{sub 2} at least for low O{sub 2} partial pressures, over PbO-A1{sub 2}O{sub 3}, Li-MgO and rare earths. The performance of a group of multicomponent oxide catalysts, containing lead and magnesium oxides, for ...

CERN Document Server

Zinc-fingers, which widely exist in eukaryotic cell and play crucial roles in life processes, depend on the binding of zinc ion for their proper folding. To computationally study the zinc coupled folding of the zinc-fingers, charge transfer and metal induced protonation/deprotonation effects have to be considered. Here, by attempting to implicitly account for such effects in classical molecular dynamics and performing intensive simulations with explicit solvent for the peptides with and without zinc binding, we investigate the folding of the Cys2His2 type zinc-finger motif and the coupling between the peptide folding and zinc binding. We find that zinc ion not only stabilizes the native structure, but also participates in the whole folding process. It binds to the peptide at early stage of folding, and directs or modulates the folding and stabilizations of the component beta-hairpin and alpha-helix. Such a crucial role of zinc binding is ...

Energy Technology Data Exchange (ETDEWEB)

Multicrystalline silicon is a very interesting material for terrestrial solar cells. Its low cost and respectable energy conversion efficiency (12-15%) makes it arguably the most cost competitive material for large-volume solar power generation. However, the solar cell efficiency of this material is severely degraded by regions of high minority carrier recombination which have been shown to possess both dislocations and microdefects. These structural defects are known to increase in recombination activity with transition metal decoration. Therefore, gettering of metal impurities from the material would be expected to greatly enhance solar cell performance. Contrary to this rationale, experiments using frontside phosphorus and/or backside aluminum treatments have been found to improve regions with low recombination activity while having little or no effect on the high recombination regions and in turn only slightly improving ...

Science.gov (United States)

The liquid-phase synthesis of metal oxide nanoparticles in organic solvents under exclusion of water is nowadays a well-established alternative to aqueous sol-gel chemistry. In this article, we highlight some of the advantages of these routes based on selected examples. The first part reviews some recent developments in the synthesis of ternary metal oxide nanoparticles by surfactant-free nonaqueous sol-gel routes, followed by the discussion of the morphology-controlled synthesis of lanthanum hydroxide nanoparticles, and the presentation of structural peculiarities of manganese oxide nanoparticles with an ordered Mn vacancy superstructure. These examples show that nonaqueous systems, on the one hand, allow the preparation of compositionally complex oxides, and, on the other hand, make use of the organic components (initially present or formed in situ) in the reaction mixture to tailor the morphology. Furthermore, obviously even the crystal ...

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.

Energy Technology Data Exchange (ETDEWEB)

The topics of these short lectures on the subject of cyclic stress were: Microstructural mechanisms of damage accumulation under a multistage cyclic stress until incipient cracking; influence of surface decarbonizing phenomena on the failure behaviour of steel construction parts subjected to cyclic stress; thermocyclic fatigue of pipe samples of austenitic steel 1.4436; studies on surface structuring, microstructure and fatigue in LCF area. The short lectures on effects of quasi-static and creep stress were: Shear fracture in AlMg alloys as a result of local plastic instability; study of formation and growth of pores for an early recognition of damage and the course of damage in heat-resistant steels under creep test; experimental and numeric studies of the infuence of the microstructure on the course of damage during shear fractures of steel; numerical modelling of ductile fractures on the basis of micromechanical models. Under the topic of tribological stress the ...

International Nuclear Information System (INIS)

A series of hydrogenation/dehydrogenation cycles have been performed on palladium wire samples, stressed by a constant mechanical tension, in order to investigate the changes in electrical and mechanical properties. A large increase of palladium electrical resistivity has been reported due to the combined effects of the production of defects linked to hydrogen insertion into the host lattice and the stress applied to the sample. An increase of the palladium sample strain due to hydrogenation/dehydrogenation cycles in ????? phase transitions is observed compared to the sample subjected to mechanical tension only. The loss of initial metallurgical properties of the sample occurs already after the first hydrogen cycle, i.e. a displacement from the initial metallic behavior (increase of the resistivity and decrease of thermal coefficient of resistivity) to a worse one occurs already after the first hydrogen cycle. A linear correlation between ...

International Nuclear Information System (INIS)

The extraction-spectrophotometric method has been used to study lanthanoid ion complexing (Pr, Nd, Ho and Er) with antipyrine (Ant) and salicylic acid (Sal). The component relationship in different-ligand compounds Ln:Aut:Sal=2:3:6 and solvate number equal to 5 are determined; molar extinction coefficients of binary and different-ligand compounds are calculated. Oscillator strengths of absorption bands corresponding to supersensitive transitions of neodymium, holmium, erbium and some most intensive praseodymium bands are calculated. The study of IR spectra of investigated compounds allows to conclude on formation of coordination bonds of the central atom with the antipyrine molecule through the oxygen of the carbonyl group as well as on carboxyl group hydrogen substitution for metal and formation of coordination bond with OH group in salicylic acid molecules.

Science.gov (United States)

We have obtained convincing evidence for localization of the optical electron on a single-ring fragment of a chelated bipyridine-like'' ligand (ie., pyridylpyrazine or 4-Methyl-bipyridine). In addition we have completed studies of Ru(bipyrazine){sub 3}{sup 2+} in aqueous sulfuric acid (0--98% by weight) and find clear evidence for sequential addition of six-protons to the six peripheral nitrogen atoms. Studies of zeolite-entrapped complexes are continuing and a series of homo- and heteroleptic complexes have been prepared and characterized. Finally, the synthesis of zeolite-entrapped metallophthalocyanines has now been developed and the copper and cobalt analogues synthesized. The characterization of these materials is now in progress.

International Nuclear Information System (INIS)

Metal-organic chemical vapor deposition (MOCVD) made layers of strontium-bismuth-tantalate (SBT) were characterized by spectroscopic ellipsometry (SE) using the Adachi model [S. Adachi, Phys. Rev. B 35 (1987) 7454-7463]. The evaluated optical parameters were correlated with the physical and chemical behavior examined by X-ray diffraction (XRD). As a result, it was possible to fit the measured spectra with the Adachi model in a wide range covering the region of the band gap. The Adachi model provides electronic layer parameters like the transition energy E 0 and broadening ?. Our investigations established a correlation between XRD-determined average grain size and the electronic layer parameters.

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The magnetic susceptibility and electrical resistivity in cerium and neodymium titanate bronzes in Ln/sub 2/3+x/TiO/sub 3+y/ of the perovskite structure were investigated in the temperature range 77-450/sup 0/K. The deviation of the 1/x = f(T) dependence from the Curie-Weiss law, found for a majority of the compositions, was interpreted from the crystal-field effect based on the state of the Ce/sup 3 +/ and Nd/sup 3 +/ cations. For a number of the phases, a transition from metallic conductivity at high temperatures to semiconducting conductivity was detected at temperatures below 200-250/sup 0/K, which agrees well with the conclusion about the temperature dependence of x, related to the subsystem of Ti/sup 3 +/ cations.

British Library Electronic Table of Contents (United Kingdom)

Luminescent transition metal complexes are enjoying a growing interest because of their ubiquitous applications in, e.g., the fields of material science, sensors and (biomedical) diagnostics, and iridium(III) and ruthenium(II) complexes are among the best studied. Due to their long-living excited states, these complexes can have a strong interaction with dioxygen, resulting in luminescence quenching. This oxygen quenching might be regarded as an unwanted effect in luminescence imaging, but, on the other hand, it can be exploited for diagnostic and therapeutic applications as well. After a theoretical introduction concerning the dioxygen quenching mechanism and the parameters involved, in the second part of this review we focus on the possibility of tailoring this quenching by modifying sel...

CERN Document Server

The effects of strong Coulomb correlations in dense three-dimensional electron-hole plasmas are studied by means of unbiased direct path integral Monte Carlo simulations. The formation and dissociation of bound states, such as excitons and bi-excitons is analyzed and the density-temperature region of their appearance is identified. At high density, the Mott transition to the fully ionized metallic state (electron-hole liquid) is detected. Particular attention is paid to the influence of the hole to electron mass ratio $M$ on the properties of the plasma. Above a critical value of about M=80 formation of a hole Coulomb crystal was recently verified [Phys. Rev. Lett. {\\bf 95}, 235006 (2005)] which is supported by additional results. Results are related to the excitonic phase diagram of intermediate valent Tm[Se,Te], where large values of $M$ have been observed experimentally.

International Nuclear Information System (INIS)

From self-consistent band structure calculations using the 'augmented plane wave'(APW) method, the density of states can be decomposed into local partial (according to azimuthal quantum number l) components, the l-character densities. Within the APW formalism the intensity of X-ray emission spectra is determined by radial transition probabilities and l-character densities of such valence states, which reside inside the same atomic sphere as the core vacancy and whose quantum number l differs by +-1 from the one corresponding to the core state. By taking into account lifetime broadening of the core and valence states and also the instrumental broadening the computed spectra (non-metal K-, vanadium K- and Lsub(III)-spectra) agree well with experiment. (orig.).

International Nuclear Information System (INIS)

A predictive reactivity of Cp_2An(IV)Me_2 (with An = uranium [U], neptunium [Np] and plutonium [Pu]) with pyridine N-oxide has been studied at the theoretical level. The predictive reaction, which consists in the formation of a formaldehyde complex, begins after the initial formation of a cyclo-metalated complex produced by a C-H activation of the pyridine N-oxide. A difference of reactivity between U/Pu and Np has been observed and has been attributed to the presence of a more covalent bond between Np and the carbene group in the transition state of formation of a transient carbene intermediate. (authors)

Energy Technology Data Exchange (ETDEWEB)

At least quinary alloys form metallic glass upon cooling below the glass transition temperature at a rate less than 10.sup.3 K/s. Such alloys comprise zirconium and/or hafnium in the range of 45 to 65 atomic percent, titanium and/or niobium in the range of 4 to 7.5 atomic percent, and aluminum and/or zinc in the range of 5 to 15 atomic percent. The balance of the alloy compositions comprise copper, iron, and cobalt and/or nickel. The composition is constrained such that the atomic percentage of iron is less than 10 percent. Further, the ratio of copper to nickel and/or cobalt is in the range of from 1:2 to 2:1. The alloy composition formula is: (Zr,Hf).sub.a (Al,Zn).sub.b (Ti,Nb).sub.c (Cu.sub.x Fe.sub.y (Ni,Co).sub.z).sub.d wherein the constraints upon the formula are: a ranges from 45 to 65 atomic percent, b ranges from 5 to 15 atomic percent, c ranges from 4 to 7.5 atomic percent, d comprises the balance, d.multidot.y is less than 10 atomic ...

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The microstructure of the secondary deformation zone (SDZ) near the cutting surface in metal chips of Ti-6Al-4V formed during machining was investigated using focused ion beam (FIB) specimen preparation and transmission electron microscopy (TEM) imaging. Use of the FIB allowed precise extraction of the specimen across this region to reveal its inhomogeneous microstructure resulting from the non-uniform distribution of strain, strain rate, and temperature generated during the cutting process. Initial imaging from conventional TEM foil preparation revealed microstructures ranging from heavily textured to regions of fine grains. Using FIB preparation, the transverse microstructure could be interpreted as fine grains near the cutting surface which transitioned to coarse grains toward the free surface. At the cutting surface a 10 nm thick recrystallized layer was observed capping a 20 nm thick amorphous layer.

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When heated through the magnetic transition at T{sub C}, La{sub 0.7}Ca{sub 0.3}MnO{sub 3} changes from a band metal to a polaronic insulator. The Hall constant R{sub H}, through its activated behavior and sign anomaly, provides key evidence for polaronic behavior. We use R{sub H} and the Hall mobility to demonstrate the breakdown of the polaron phase. Above 1.4T{sub C}, the polaron picture holds in detail, while below, the activation energies of both R{sub H} and the mobility deviate strongly from their polaronic values. These changes reflect the presence of metallic, ferromagnetic fluctuations, in the volume of which the Hall effect develops additional contributions tied to quantal phases. (c) 2000 The American Physical Society.

CERN Document Server

Gravitational waves were copiously produced in the early Universe whenever the processes taking place were sufficiently violent. The spectra of several of these gravitational wave backgrounds on subhorizon scales have been extensively studied in the literature. In this paper we analyze the shape and amplitude of the gravitational wave spectrum on scales which are superhorizon at the time of production. Such gravitational waves are expected from the self ordering of randomly oriented scalar fields which can be present during a thermal phase transition or during preheating after hybrid inflation. We find that, if the gravitational wave source acts only during a small fraction of the Hubble time, the gravitational wave spectrum at frequencies lower than the expansion rate at the time of production behaves as $\\Omega_{\\rm GW}(f) \\propto f^3$ with an amplitude much too small to be observable by gravitational wave observatories like LIGO, LISA or ...

Energy Technology Data Exchange (ETDEWEB)

Mechanisms and associated energetics for adatom diffusion on the (100) and (110) surfaces of Ni, Cu, Rh, Pd, and Ag are investigated. Self-diffusion was studied on (100) and (I 10) surfaces of Ni, Cu, Pd and Ag using corrected effective medium method (CEM) and approximation to CEM used for molecular dynamics and Monte Carlo studies (MD/MC-CEM). Self-diffusion on Pd(100), Ag(100), Ni(110), Cu(110), Pd(110), and Ag(110) is accomplished by classical diffusion: the adatom hops from its equilibrium adsorption site over an intervening bridge site to an adjacent equilibrium site. Self-diffusion on Ni(100) and Cu(100) proceeds by atomic-exchange diffusion: the adatom on the surface displaces an atom in the first surface layer. Aside from explicit inclusion of the kinetic-exchange-correlation energy, it is critical to include enough movable atoms in the calculation to insure correct energetics. Distortions induced by these diffusion mechanisms, especially atomic exchange, are long ranged in ...

Energy Technology Data Exchange (ETDEWEB)

A chronology for Paleocene strata of the Hinton area of west-central Alberta was developed from the integration of a magnetostratigraphic and palynostratigraphic study of the upper Coalspur and middle to upper Paskapoo strata in the Coal Valley to Obed Mountain area. The study resulted in the compilation of a complete section of 1100 m of strata with a maximum sediment accumulation rate of 250 m/m.y. Four new informal biostratigraphic units were used to highlight stratigraphically useful bioevents not previously recognized in existing zonations. These strata range in age from magnetochron 29r to 24r and palynozones Wodehouseia spinata Zone, Aquilapollenites reticulatus Subzone through the Pistillipollenite mcgregorii Zone. The 3 intervals with the most rapid changes in the palynoflora were the earliest Paleocene; the transition from the early to middle Paleocene; and in the late Paleocene. Each coincides with critical times in basin ...

Energy Technology Data Exchange (ETDEWEB)

The interdependence of thermodynamic parameters, phase equilibria, and electrochemical measurements can be used as a powerful tool in the development of high specific energy cells. These principles were used in the analysis of electrochemical experiments performed on ternary lithium-transition metal-oxide (M = Mn, Fe, and Co) positive electrodes. The free energies of formation of LiMnO/sub 2/, Li/sub 5/FeO/sub 4/, LiFeO/sub 2/, and LiCoO/sub 2/ were found to be -178.21, -399.88, -154.18, and 131.62 kcal/mol at 400/sup 0/C. The electrochemical displacement reactions were found to be reversible in LiCl/KCl molten salt cells over a range of 0.0-3.0 Li equivalents per mol at current densities of 5-15 mA/cm/sup 2/. The equilibrium potential vs. Li was found to be a logarithmic function of the calculated oxygen partial pressure for any tie triangle in which Li/sub 2/O is present, or for any tie triangle containing ternary oxide phases Li /SUB x/ MO ...

International Nuclear Information System (INIS)

The utility of recording Raman spectroscopy under liquid nitrogen, a technique we call Raman Under Nitrogen (RUN), is demonstrated for ferrocene, uranocene and thorocene. Using RUN, low temperature (liquid nitrogen cooled) Raman spectra for these compounds exhibit higher resolution than previous studies and new vibrational features are reported. The first Raman spectra of crystalline uranocene at 77 K are reported using excitation from argon (5145 ) and krypton (6764 ) ion lasers. The spectra obtained showed bands corresponding to vibrational transitions at 212, 236, 259, 379, 753, 897, 1500, and 3042 cm-1 , assigned to ring-metal-ring stretching, ring-metal tilting, out-of-plane CCC bending, in-plane CCC bending, ring-breathing, C-H bending, CC stretching and CH stretching, respectively. The assigned vibrational bands are compared to those of uranocene in THF and thorocene. All vibrational frequencies of the ligands, ...

Energy Technology Data Exchange (ETDEWEB)

MnO powder materials are investigated as anode active materials for Li-ion batteries. Lithium is stored reversibly in MnO through conversion reaction and interfacial charging mechanism, according to the results of ex situ XRD, TEM and galvanostatic intermittent titration technique. A layer of the solid electrolyte interphase with a thickness of 20-60 nm is covered on MnO particles after full insertion. MnO powder materials show reversible capacity of 650 mAh g{sup -1} with average charging voltage of 1.2 V. It can deliver 400 mAh g{sup -1} at a rate of 400 mA g{sup -1}. The cyclic performance of MnO is improved significantly after decreasing particle size and coating with a layer of carbon. Among observed transition metal oxides, MnO shows relatively lower voltage hysteresis (<0.7 V) between the discharging and the charging curves at 0.05 C. In addition to its environmental benign feature and high density (5.43 g cm{sup -3}), MnO seems a ...

Energy Technology Data Exchange (ETDEWEB)

Single crystals of trigonal Cr{sub 2}Te{sub 3}, monoclinic Cr{sub 5}Te{sub 8}, and trigonal Cr{sub 5}Te{sub 8} were prepared and the single crystal structures were determined. The structures are related to the NiAs structure type by successive removal of Cr in every second metal atom layer parallel to the c axis. The strong relationship between the structures is evidenced by their very similar X-ray powder patterns. In trigonal Cr{sub 2}Te{sub 3} excess Cr occupies only one of the two possible sites. In monoclinic Cr{sub 5}Te{sub 8} the Cr atoms occupy four different crystallographic sites. The resulting ordering of the vacancies is significantly different from the hitherto reported crystal structures of transition metal chalcogenides M{sub 5}X{sub 8}. A slight increase of the tellurium content leads to an order-disorder transition from the monoclinic to a trigonal phase. The Cr atoms are located on ...

Science.gov (United States)

Not Available

Energy Technology Data Exchange (ETDEWEB)

The Department of Energy (DOE) Subsurface Contamination Focus Area (SCFA) sponsored a technology demonstration of non-traditional in situ vitrification (NTISV) at Los Alamos National Laboratory (LANL). The project team for this demonstration included MSE Technology Applications, Inc., Geosafe Corporation, and LANL. The technology demonstration involved the performance of two large-scale test melts. The first, referred to as the ''cold'' test, was performed on a simulated absorption bed that contained surrogate contaminants. The cold test was conducted in April 1999. The second demonstration, referred to as the ''hot'' test, took place at LANL's Material Disposal Area (MDA) V in April 2000. The hot test was conducted on a portion of an absorption bed that received radionuclide and metal-contaminated wastewater from a laundry facility and a research laboratory from the mid-1940s to the ...

International Nuclear Information System (INIS)

... electron reactions electrons excitation inelastic scattering m1-transitions proton

International Nuclear Information System (INIS)

An important early step in the assessment of ecological risks at contaminated sites is the screening of chemicals detected on the site to identify those that constitute a potential risk. Part of this screening process is the comparison of measured ambient concentrations to concentrations that are believed to be nonhazardous, termed benchmarks. This article discusses 13 methods by which benchmarks may be derived for aquatic biota and presents benchmarks for 105 chemicals. It then compares them with respect to their sensitivity, availability, magnitude relative to background concentrations, and conceptual bases. This compilation is limited to chemicals that have been detected on the US Department of Energy's Oak Ridge Reservation (ORR) and to benchmarks derived from studies of toxic effects on freshwater organisms. The list of chemicals includes 45 metals and 56 industrial organic chemicals but only four pesticides. Although some individual ...

International Nuclear Information System (INIS)

The photon rupture method, by which oxide film and metal are removed by focused pulsed Nd-YAG laser beam irradiation, was applied to form artificial micro-pits in Zn-5 mass% Al alloy-coated steel. The zinc alloy-coated layer was removed by pulsed laser irradiation treatment for about one second in a neutral buffer solution with NaCl. The rest potential transient with the laser treatment was measured. In the early stage of the laser treatment the rest potential of zinc alloy-coated steel changed to the negative direction immediately after every irradiation of a laser pulse and then returned to the previous value. However, after the steel substrate was exposed to the solution, the rest potential moved to the positive direction immediately after every irradiation of a laser pulse and then returned to the previous value. The amplitude and duration of the potential change after the laser irradiation increased with repetition of laser irradiation, ...

International Nuclear Information System (INIS)

Rapid corrosion of PWR steam generator carbon steel support structures and consequential denting of steam generator tubes led to considerable investigation of the mechanism of corrosion and for palliatives. The basic mechanism is now fairly well understood. Chloride present in the boiler feedwater from condenser leakage is concentrated in the support plate crevice as a result of the superheat present. This leads to the formation of a low pH acid ferrous chloride environment either through the hydrolysis of a weak base chloride such as MgCl_2 or the combined action of a neutral chloride with an oxidizing agent. Rapid attack of the carbon steel ensues with the Fe_3O_4 corrosion product forming at the metal/oxide interface. This oxide has a volume approximately twice that of the steel consumed and thus eventually fills the crevice between the tube and the support plate. Oxide growth continues leading to compression of the Alloy 600 primary tube and to distortion and ...

Energy Technology Data Exchange (ETDEWEB)

Studies were conducted of the bifunctional oxygen electrode. The development of a rechargeable metal-oxygen (air) cell has been hampered to a great extent by the lack of a stable and cost effective oxygen electrode capable of use during both charge and discharge. The first type of bifunctional electrode consists of two distinct catalytifc layers. The oxygen reduction catalyst layer containing a supported gold catalyst is in contact with a hydrophilic nickel layer in which evolution of oxygen takes place. Loadings of gold from 0.5 to 1.0 mg/cm/sup 2/ were investigated; carbon, graphite, metal, and spinel oxides were evaluated as substrates. The second part of the research effort was centered on developing a reversible oxygen electrode containing only one catalytic layer for both reduction and evolution of oxygen. The work was directed specifically to the study of perovskite type of oxides with the composition AA/sup 1/BO/sub 3/ where A is an ...

Energy Technology Data Exchange (ETDEWEB)

The research carried out in Canada in the design of containers for the disposal of radioactive waste has focussed on spent nuclear fuel, even though the quantities of other currently stored radioactive wastes are substantially greater. Research carried out at the Royal Military College of Canada on the effects of mixed fields of radiation on high polymer adhesives and composite materials has shown that some polymers are quite resistant to radiation and could well serve in the fabrication of radioactive waste disposal containers. The purpose of this research was to determine if thermoplastic polymers could be used as superior materials to replace metals in the application of low and intermediate level radioactive waste disposal containers. Polymers have the advantage that they do not corrode like metals. The experimental methods, used in this research, focused on the effects of radiation on the properties of the materials. Polypropylene, Nylon ...

Energy Technology Data Exchange (ETDEWEB)

Anionic complexes of transition metals were stabilized in aqueous solutions containing high concentrations of various short-chain quaternary ammonium salts. Compounds with longer paraffin chains were effective in much less concentrated solution. Complex ions were detected spectrophotometrically. FeCl/sub 4//sup -/, which is usually formed in concentrated HCl, was the predominant Fe(III) complex in 30 m choline chloride containing only 0.12 M HCl. A yellow transitory Tc(VII) chloro-addition intermediate, formed in the reduction of TcO/sub 4//sup -/ by concentrated HCl, was stabilized when the solution also contained 25 m choline chloride. Its spectrum, as well as the isolation of an already known Tc(VII) bipyridyl complex, is reported. Concentrated organic electrolytes also stabilized Tc(V) oxide halides against disproportionation and Tc(IV) hexahalides against hydrolysis. Halochromates of Cr(VI) were formed and stabilized in dilute acid ...

UK PubMed Central (United Kingdom)

Recessive mutations of the early phase change (epc) gene in maize affect several aspects of plant development. These mutations were identified initially because of...Full Text Available

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The K{beta}-to-K{alpha} X-ray intensity ratio of Ni in Ni{sub 3}Si, Ni{sub 2}Si and NiSi has been determined by energy dispersive X-ray fluorescence technique. It is found that the intensity ratio of Ni decreases from pure Ni to Ni{sub 2}Si and then increases from Ni{sub 2}Si to NiSi, in good agreement with the electronic structure calculations cited in the literature. We have also performed band structure calculations for pure Ni in various atomic configurations by means of linear muffin-tin orbital method and used this data with the normalized theoretical intensity ratios cited in the literature to estimate the 3d-occupation numbers of Ni in Ni-Si alloys. It is emphasized that investigation of alloying effect in terms of X-ray intensity ratios should be carried out for the stoichiometric alloys in order to make reliable and quantitative comparisons between theory and experiment in transition metal alloys.

International Nuclear Information System (INIS)

We report on the first measurements of the z-dependent evolution of electron-beam microbunching as revealed through coherent transition radiation (CTR) measurements in a visible self-amplified spontaneous emission free-electron laser experiment. The increase in microbunching was detected by tracking the growth of the visible CTR signals as generated from insertable metal mirrors/foils after each of the last three undulators. The same optical imaging diagnostics that were used to track the z-dependent intensity of the undulator radiation (UR) were also used to track the electron beam/CTR information. Angular distribution, beam size, and intensity data were obtained after each of the last three undulators in the five-undulator series, and spectral information was obtained after the last undulator. The exponential growth rate of the CTR was found to be very similar to that of the UR and consistent with simulations using the code GENESIS.

International Nuclear Information System (INIS)

In this thesis, a new ab-initio method for molecular dynamics within the framework of density functional theory was developed and implemented. It is strongly related to the projector-augmented-wave method (PAW) by P. Bloechl, but also includes elements of a pseudocharge method proposed by M. Weinert for the full-potential linearized augmented plane wave method (FLAPW). Like the FLAPW-method, the PAW-method is an all-electron method. In the later case, the hamiltonian takes quite a simple form similar to the one obtained when using normconserving Kleinman-Bylander-type pseudopotentials or ultrasoft Vanderbilt pseudopotentials. The PAW-method allows for an efficient calculation of systems containing virtually any element of the periodic table, including those which require high numerical effort when treated using normconserving pseudopotentials (e.g. 2p-elements like oxygen or 3d-transitional metals like copper). In addition, a higher accuracy ...

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 detailed crystallographic investigations and preliminary magnetic and specific heat studies are presented ...

Energy Technology Data Exchange (ETDEWEB)

We discuss recent results obtained for the heavy-fermion metals UPd{sub 2}Al{sub 3} and YbRh{sub 2}Si{sub 2}. UPd{sub 2}Al{sub 3} is the first among all superconductors for which tunneling and inelastic neutron-scattering data highlight a non-phononic, i.e., magnetic-exciton mediated, pair state. YbRh{sub 2}Si{sub 2} represents a model system exhibiting pronounced non-Fermi liquid effects above a weak antiferromagnetic phase transition at T{sub N}=70 mK. Upon approaching the quantum critical point (T{sub N}{yields}0), by low doping with Ge, one observes for T<0.3 K disparate behavior in the temperature dependences of both the electrical resistivity and the electronic specific heat as well as a Curie-Weiss law in the uniform magnetic susceptibility, implying uncompensated large 4f moments. These observations indicate a break up of the composite quasiparticles into their local f-spin and itinerant conduction-electron parts.

Energy Technology Data Exchange (ETDEWEB)

This paper describes inorganic solid electrolytes from a viewpoint of electrolytes for lithium batteries. Lithium ion conductive inorganic solid electrolytes are largely divided into crystalline and amorphous substances. Crystalline substances are known as LiI and Li3N, and also oxygen acid salt. However, when considering application to a battery, its large grain boundary resistance and electrochemical instability would be a problem. Lithium ion conductive amorphous solid electrolytes are divided into an oxide system and a sulfide system. Since most of them do not contain transition metal elements, they are stable against electrochemical reduction, and ions move isotropically in electrolyte. Therefore, ion conduction paths across the grain boundaries may be connected more easily, forming an electrolyte with low grain boundary resistance. As a result of the efforts of the authors in searching new additives substituting LiI, it was found that ...

International Nuclear Information System (INIS)

Several dioxomolybdenum(VI) complexes of the schiff bases derived from salicylaldehyde, 2-hydroxy-1-naphthaldehyde, o-hydroxyacetophenone or pyridoxal and o-aminobenzylalcohol, o-aminophenol, o-hydroxybenzylamine, o-hydroxy(methylbenzyl)amine or 3-amino-2-naphthoic acid have been synthesized and characterized by elemental analysis, electrical conductance, molecular weight, IR and electronic spectral and magnetic susceptibility measurements. The schiff bases behave as dibasic, tridentate ligands and coordinate through ONO donor system forming complexes of the type MoO_2L.X (where LH_2=schiff base, X=H_2O or Ch_3OH). The compounds MoO_2L.Ch_3OH react with 2,2'-dipyridyl to form heterochelates of the type MoO_2L.dipyridyl. The complexes are non-electrolytes, monomers, diamagnetic and possess a cis-MoO_2 structure. The complexes exhibit a ligand-to-metal charge-transfer transition around 25000 cm"-"1. The complexes MoO_2L.X and MoO_2L.dipyridyl are ...

Energy Technology Data Exchange (ETDEWEB)

Susceptibility data of freshly precipitated nitroprussides TM[Fe(CN){sub 5}NO] n H{sub 2}O (TM=Mn, Fe, Co, Ni, Cu) follow very well modified Curie-Weiss law down to T=5 K indicating paramagnetic state; nitroprusside (NP) containing Zn is diamagnetic with a sign of paramagnetic contribution. Deviation from Curie-Weiss law and magnetization measurements on MnNP, FeNP and CoNP below T=5 K can indicate ferrimagnetic ordering at low temperatures. A hysteresis behaviour in ZFC and FC magnetisation with the temperature of bifurcation T{sub b}=6 K was found for CoNP and FeNP. Moessbauer spectra taken at room temperature (besides FeNP) consist of a single symmetric quadrupole-split doublet with parameters {delta} and {delta} typical for Fe{sup II} ions in octahedral sites. A more complicated spectrum of FeNP is a consequence of different Fe environments.

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 ..cap alpha../sub j/, 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 strength of antiferromagnetic exchange. 123 refs.

Energy Technology Data Exchange (ETDEWEB)

High-purity and doped GaAs films have been grown by Liquid-phase epitaxy (LPE) for development of a blocked impurity band (BIB) detector for far-infrared radiation. The film growth process developed has resulted in the capability to grow GaAs with a net active impurity concentration below 1 x 10{sup 13} cm{sup -3}, ideal for the blocking layer of the BIB detector. The growth of n-type LPE GaAs films with donor concentrations below the metal-insulator transition, as required for the absorbing layer of a BIB detector, has been achieved. The control of the donor concentration, however, was found to be insufficient for detector production. The growth by LPE of a high-purity film onto a commercially grown vapor-phase epitaxial (VPE) n-type GaAs doped absorbing layer resulted in a BIB device that showed a significant reduction in the low-temperature dark current compared to the absorbing layer only. Extended optical response was not detected, most ...

International Nuclear Information System (INIS)

The near normal incidence reflectivity of the ferromagnets U"3P"4 and U"3As"4 and the isostructural but diamagnetic compounds Th"3P"4 and Th"3As"4 has been measured from 0.03 to 12 eV. Trithorium tetraphosphide and tetraarsenide are shown to be indirect gap semiconductors with gap energies of 0.43 and 0.39 eV, respectively. U"3P"4 and U"3As"4 display similar sets of p#->#d transitions than the corresponding thorium compounds, however, they are shifted by 0.85 eV to lower photon energies. It is concluded that the uranium compounds are metals due to a merging of the valence p band into the 6d conduction band giving direct experimental evidence for a p-f mixing effect of the same size. Energy level schemes are derived. (author).

British Library Electronic Table of Contents (United Kingdom)

Abstract Visible blue cathodoluminescence (CL), photoluminescence (PL), x-ray excited optical luminescence (XEOL) and electroluminescence (EL) via Zf free excitonic emission have been obtained from CuBr thin films deposited on glass, Cr coated glass, GaAs and Si substrates. In addition to the Zf emission several peaks corresponding to Cu+ emissions via 3d94s - d10 transitions were observed on the AC EL spectrum at 2.10, 2.7, 3.03, 3.07 and 3.80 eV. X-ray diffraction (XRD) measurements confirmed that the vacuum evaporated CuBr thin films grow preferentially with a (111) orientation irrespective of the substrate. While the AC voltage source was found to have no detrimental effects on CuBr thin films, cathodic deposition of Cu metal via electrolytic decomposition was observed under steady sta...

Energy Technology Data Exchange (ETDEWEB)

This thesis is in the field of gas emission control from automobile and stationary sources. Out of the possible approaches to the elimination of pollutant gases, such as nitrogen oxides (NO{sub x}), one consists in the selective catalytic reduction (SCR) of these NO{sub x} on a suitable heterogeneous catalyst. Ammonia or hydrocarbons are employed as reducing agents. The most important catalysts active in the SCR of NO{sub x} are based on ions of transition metal either supported on several oxides or dispersed in zeolites. The catalysts have been characterized by electron magnetic resonance techniques (EPR, ENDOR, ESEEM) and the interaction of catalysts with nitrogen oxides, with reducing and poisoned agents have been followed with the same techniques. Copper dispersed on alumina and its interaction with both NO and ammonia has been investigated. Also the interaction between both water and ammonia with copper dispersed in zeolite ZSM-5 has been ...

International Science & Technology Center (ISTC)

Metal Matrix Composites on the Basis of Nano-Materials

International Nuclear Information System (INIS)

The Fast Flux Test Facility (FFTF) is a 400-MW(t) sodium-cooled fast reactor operating at the Hanford Engineering Development Laboratory in Richland, Washington, to conduct fuels and materials testing in support of the US liquid-metal fast breeder reactor program. Startup and initial power testing included a comprehensive series of nuclear and nonnuclear tests to verify the thermal and neutronic characteristics of the plant and to demonstrate its inherent safety features. Extensive reactor core characterization measurements were completed to provide the neutron and gamma spectra, fission rates, and other physics data needed to design and evaluate tests irradiated in the FFTF. A specially designed series of natural-circulation tests was performed to demonstrate the inherent safety features of the plant. Early in 1982 the FFTF began its first 100-d irradiation cycle. Since that time the plant has operated beyond expectations; it achieved a cycle ...

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Science.gov (United States)

Pancreatic Cancer; Head and Neck Cancer; Breast Cancer

Energy Technology Data Exchange (ETDEWEB)

X-ray crystal structures of L-3,4-dihydroxy-2-butanone-4-phosphate synthase from Magnaporthe grisea are reported for the E-SO{sub 4}{sup 2-}, E-{sub 4}{sup 2-}-Mg{sup 2+}, E-SO{sub 4}{sup 2-}-Mn{sup 2+}, E-SO{sub 4}{sup 2-}-Mn{sup 2+}-glycerol, and E-SO{sub 4}{sup 2-}-Zn{sup 2+} complexes with resolutions that extend to 1.55, 0.98, 1.60, 1.16, and 1.00 {angstrom}, respectively. Active-site residues of the homodimer are fully defined. The structures were used to model the substrate ribulose 5-phosphate in the active site with the phosphate group anchored at the sulfate site and the placement of the ribulose group guided by the glycerol site. The model includes two Mg{sup 2+} cations that bind to the oxygen substituents of the C2, C3, C4, and phosphate groups of the substrate, the side chains of Glu37 and His153, and water molecules. The position of the metal cofactors and the substrate's phosphate group are further stabilized by an extensive hydrogen-bond ...

Energy Technology Data Exchange (ETDEWEB)

The effects of dilute impurity doping on charge-density wave (CDW) structures and gaps in NbSe{sub 3} 1T-TaS{sub 2} and 2H-NbSe{sub 2} have been studied by using a scanning tunneling microscope (STM) operating at 4.2 K. In Fe doped samples of NbSe{sub 3} the STM spectroscopy measurements indicate that the added impurities can significantly shift the CDW energy gaps. In NbSe{sub 3}, Fe reduces both CDW gaps by 25-30%, and produces changes in the conductance structure relative to the pure material. The images of Fe{sub 0.01}NbSe{sub 3} show that all three surface chains in the unit cell still carry a strong CDW modulation with no evident disorder. However, a change in the relative amplitudes of the high and low temperature CDWs is detected. The effects of Co and Ni impurities on the gaps in NbSe{sub 3} have also been studied. While Co increases both by 25-30%, Ni increases only the high temperature gap with the low temperature gap remaining essentially unchanged. In 1T-Fe{sub 0.05}Ta{sub ...

Energy Technology Data Exchange (ETDEWEB)

The rare-earth based nickelates RNiO{sub 3} (R=Pr, Nd, Sm, Eu, and Pr{sub 1-x}La{sub x}, 0{<=}x{<=}0.7) were studied by inelastic neutron scattering. Energy splittings due to the crystalline-electric-field (CEF) interaction at the R{sup 3+} site within the electronic ground-state J multiplet (for R=Pr, Nd, and Pr{sub 1-x}La{sub x}) as well as within the two lowest-lying J multiplets (for R=Sm and Eu) were directly observed, and the corresponding CEF energy-level schemes were reconstructed. The latter were rationalized in terms of CEF parameters, which vary smoothly over the rare-earth series and give magnetic properties associated with the R sublattice in agreement with results from neutron powder diffraction experiments. Across the metal-insulator transition, a continuous change in the electronic part of the CEF parameters is observed. However, an attempt to quantify a charge transfer from the observed variation of the CEF ...

UK PubMed Central (United Kingdom)

In a "nutrition transition", the consumption of foods high in fats and sweeteners is increasing throughout the developing world. The transition, implicated in the rapid rise of obesity and diet-related...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

It is shown that calculation of the anomalous expectation values for the massless Gross-Neveu model in the Hartree-Fock approximation indicates the presence of an ordinary chiral phase transition if the coupling constant has the normal sign (g > 0) and of a different transition of the superconductivity type if g < 0.

International Nuclear Information System (INIS)

A review is made of some recent developments in the application of the Bohr Hamiltonian to transitional nulcei. The primary concern is to understand the advantages and limitations inherent to the basic model and its many variants. (author).

CERN Document Server

The laser cooling and trapping of ultracold neutral dysprosium has been recently demonstrated using the broad, open 421-nm cycling transition. Narrow-line magneto-optical trapping of Dy on longer wavelength transitions would enable the preparation of ultracold Dy samples suitable for loading optical dipole traps and subsequent evaporative cooling. We have identified the closed 741-nm cycling transition as a candidate for the narrow-line cooling of Dy. We present experimental data on the isotope shifts, the hyperfine constants A and B, and the decay rate of the 741-nm transition. In addition, we report a measurement of the 421-nm transition's linewidth, which agrees with previous measurements. We summarize the laser cooling characteristics of these transitions as well as other narrow cycling transitions that may prove useful for cooling Dy.

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This report describes the evaluation results for new Orion VII buses at NYCT with CNG propulsion and new hybrid propulsion.

UK PubMed Central (United Kingdom)

ObjectiveThis study investigated transitions between drinking and nondrinking during the first 12 months following treatment and whether transitions in posttreatment...Full Text Available

Science.gov (United States)

Excitonic transitions in metalorganic vapor phase epitaxially grown In[sub [ital x

International Nuclear Information System (INIS)

Crystalline Pd_9Si_2 possesses an orthorhombic structure (Pnma) that is characterized by augmented triangular prismatic coordination of the silicon atoms such as that which occurs in several metal-rich transition-metal silicides. Recent neutron diffraction results for deuterium solution in this crystalline phase have indicated that deuterium occupies only one type of interstice, i.e., a Pd-defined pyramidal site in a four-fold position situated on a quadrilateral face of an empty triangular prism. The vibrational dynamics of both H and D located at this site were investigated by neutron vibrational spectroscopy. The low-temperature density of states (DOS) of H in Pd_9Si_2H_0_._2_5 indicates three well-defined optic vibrations located at 49.4, 67.2 and 75.5 meV. The lowest-energy feature is assigned to the normal-mode vibration perpendicular to the pyramidal base and the two higher-energy features are assigned to the two orthogonal normal-mode ...

International Nuclear Information System (INIS)

A systematic study for the materials design of III-V and II-VI compound-based ferromagnetic diluted magnetic semiconductors is given based on ab initio calculations within the local spin density approximation. The electronic structures of 3d-transition-metal-atom-doped GaN and Mn-doped InN, InP, InAs, InSb, GaN, GaP, GaAs, GaSb, AlN, AlP, AlAs and AlSb were calculated by the Korringa-Kohn-Rostoker method combined with the coherent potential approximation. It is found that the ferromagnetic ground states are readily achievable in V-, Cr- or Mn-doped GaN without any additional carrier doping treatments, and that InN is the most promising candidate for high-T_C ferromagnet. A simple explanation of the systematic behavior of the magnetic states in III-V and II-VI compound-based diluted magnetic semiconductors is also given. It is also shown that V or Cr-doped ZnS, ZnSe, and ZnTe are ferromagnetic without p- or n-type doping treatment. However, Mn-, Fe-, Co- or Ni-doped ...

Energy Technology Data Exchange (ETDEWEB)

Ensyn is a profitable commercial company which derives its revenues from the conversion of wood residues into liquid biofuel and chemicals. The technology, Rapid Thermal Processing (RTP{sup (TM)})is based on extremely fast ``cracking`` of biomass which results in light liquid yields exceeding 70% by weight, from wood. Whether producing chemicals or liquid biofuel, the RTP plant is configured identically and operated essentially in the same mode. Chemicals production simply allows economical production to occur at a lower plant capacity, as low as 2 tonnes/day, than is feasible for a dedicated fuel plant (typically greater than 100 tonnes/day). Ensyn has developed the commercialisation of RTP{sup TM} from bench to industrial scale in 10 years. A variety of crative funding initiatives in the early years allowed for capital to be raised for R and D without the loss of intellectual property (IP). The transition years of technology demonstration, ...

Energy Technology Data Exchange (ETDEWEB)

The Screening Risk Evaluation (SRE) guidance document is a set of guidelines provided for the uniform implementation of SREs performed on decontamination and decommissioning (D&D) facilities. Although this method has been developed for D&D facilities, it can be used for transition (EM-60) facilities as well. The SRE guidance produces screening risk scores reflecting levels of risk through the use of risk ranking indices. Five types of possible risk are calculated from the SRE: current releases, worker exposures, future releases, physical hazards, and criticality. The Current Release Index (CRI) calculates the current risk to human health and the environment, exterior to the building, from ongoing or probable releases within a one-year time period. The Worker Exposure Index (WEI) calculates the current risk to workers, occupants and visitors inside contaminated D&D facilities due to contaminant exposure. The Future Release Index (FRI) calculates the ...

International Nuclear Information System (INIS)

(Cu_4_7Zr_1_1Ti_3_4Ni_8)_1_0_0_-_xMo _x bulk metallic glasses (BMGs) with x = 0, 1 and 2 at.% and a bulk metallic glass matrix composite with x = 5 at.% were successfully prepared by water-cooled copper mold casting. The effect of the addition of a small amount of Mo on the glass forming ability (GFA), thermal properties of the base alloy (i.e. x = 0) were investigated by X-ray diffraction (XRD), differential scanning calorimetry (DSC) and differential thermal analyzer (DTA). It is found that the addition of appropriate amount of Mo can enhance the GFA of the Cu-based BMG, as indicated by the increase in the reduced glass transition temperature T _r_g (=T _g/T _l) and the parameter #gamma# (=T _x/(T _g + T _l)) with the increase of Mo. On the other hand, the corrosion resistance of the Cu-based BMGs with different Mo contents was examined by electrochemical polarization and weight loss measurement in 1 mol/L H_2SO_4 and 1 ...

UK PubMed Central (United Kingdom)

The interaction between two metals, which can be either synergistic or antagonistic, implies that the behavior of one is changed by the presence of the other. Possible mechanisms of these interactions,...Full Text Available

International Nuclear Information System (INIS)

CORAL-I was an experimental, zero-power, fast-spectrum, high-enriched metal uranium reactor that operated from 1968 until 1988 at the former Junta de Energia Nuclear (JEN), CIEMAT at present. The critical measurements performed at the startup of the reactor are being evaluated as part of the International Critical Safety Benchmark Evaluation Program (ICSBEP) and proposed to be included in its 2001 edition. Additionally, the measurement of the mass reactivity coefficient is compared with MCNP4B calculations. This measurement allows one to perform the approach to critical without the need of a previous control rod calibration, thus enhancing the safety of such an approach. This technique can also be applied to other reactor types. CORAL-I (Ref. 1) is a 90% enriched metal uranium reactor domestically designed and manufactured in the experimental facilities of JEN, now CIEMAT, in Madrid, Spain. The enriched uranium was supplied by the International ...

International Nuclear Information System (INIS)

... energy levels intermediate mass nuclei isotopes nuclei odd-even nuclei

CERN Document Server

We combine a limited number of accurately measured transition frequencies in hydrogen and deuterium, recent quantum electrodynamics (QED) calculations, and, as an essential additional ingredient, a generalized least-squares analysis, to obtain precise and optimal predictions for hydrogen and deuterium transition frequencies. Some of the predicted transition frequencies have relative uncertainties more than an order of magnitude smaller than that of the g-factor of the electron, which was previously the most accurate prediction of QED.

CERN Document Server

We develop a theory of Smectic A - Smectic C phase transition with anomalously weak smectic layer contraction. We construct a phenomenological description of this transition by generalizing the Chen-Lubensky model. Using a mean-field molecular model, we demonstrate that a relatively simple interaction potential suffices to describe the transition. The theoretical results are in excellent agreement with experimental data.

International Nuclear Information System (INIS)

The electron structure of the A-15 compounds is studied by accounting for the Hubbard energy as the highest energy parameter. The conditions for the Cooper instability origination are obtained. The superconducting transition temperature dependence on the degree of filling the d- and p-shells of the transition and nontransition elements is determined. The relationship between the transition temperature and the energy jumpover along the chains, which allows comparison with the experiment, is established. Qualitative explanation of the Mattias empiric rules is presented

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International Nuclear Information System (INIS)

Short communication.

KoreaScience (Korea)

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Science.gov (United States)

No abstract prepared.

UK PubMed Central (United Kingdom)

Sunbed use is associated with increased risk of melanoma. Younger people might be more susceptible to the carcinogenic effects of ultraviolet radiation. We investigated the association between...Full Text Available

UK PubMed Central (United Kingdom)

AbstractStudies performed to identify early events of ovarian cancer and to establish molecular markers to support early detection and development of chemopreventive regimens have been...Full Text Available

UK PubMed Central (United Kingdom)

Cognitive rehabilitation is an effective intervention for addressing cognitive impairments in patients with schizophrenia. Previous research has shown that the early application of Cognitive...Full Text Available

UK PubMed Central (United Kingdom)

BackgroundThe precise mechanisms involved in the initiation and progression of rheumatoid arthritis (RA) are not known. Early stages of RA often have non-specific symptoms, delaying...Full Text Available

UK PubMed Central (United Kingdom)

The long-term impact of early stress on behavior and emotions is well documented in humans, and can be modeled in experimental animals. In mice, maternal separation during early postnatal development...Full Text Available

UK PubMed Central (United Kingdom)

SUMMARYDendritic cells (DCs) in mucosal surfaces are early targets for human immunodeficiency virus-1 (HIV-1). DCs mount rapid and robust immune responses upon pathogen encounter....Full Text Available

UK PubMed Central (United Kingdom)

BackgroundOne-stage implant placement has clinically acceptable treatment outcomes. Among other advantages, it may allow investigation of early wound healing. The...Full Text Available

UK PubMed Central (United Kingdom)

Early simian virus 40-specific mRNA was isolated from lytically infected and stably transformed cells and analyzed with respect to the 5'-terminal cap content. An analogous diversity of capped structures...Full Text Available

International Science & Technology Center (ISTC)

Thermodynamic Stable Metal Compositions for Improvement of an Operational Safety of Constructional Materials under Conditions of Multifactor Loadings of an Aggressive Environment

International Science & Technology Center (ISTC)

Development of Bipolar Separator Plates with Porous Insertions of Metal Felt as Bearing Surfaces for Fuel Cell Electrodes

International Science & Technology Center (ISTC)

Studies of the Superheavy-metal Effect as a Stress-factor on Protein Biosynthesis and Cytoskeleton Integrity in Animal Cells

Science.gov (United States)

... TANK GUNS, GUNS, CHAMBERS, IGNITERS, INTERIOR BALLISTICS, INTERNAL PRESSURE, COMBUSTIBLE CARTRIDGE CASES, METALS. ...

Energy Technology Data Exchange (ETDEWEB)

The sharp, temperature induced, continuous valence transition in EuPd/sub 2/Si/sub 2/ is drastically changed by doping with Sn at the Si site up to 5 at.%. Only a first order valence transition occurs for a 3% Sn doped sample and the 2/sup +/ component which survives the valence transition orders magnetically at 4.2 K. No valence transition at all occurs for a 5% Sn doped sample right up to 1.9 K and magnetic ordering sets in around 30 K.

Energy Technology Data Exchange (ETDEWEB)

The 8 papers in the report deal with the following areas: Introduction to diesel particulate emissions, alternative fuels, and the transit industry; Technical problems and policy issues associated with the 1991 bus emissions standards; Reducing transit bus emissions: comparative costs and benefits of methanol, particulate traps, and fuel modification; Effects of applying emissions averaging, trading, and banking to transit buses; Strategic review of heavy-duty engine emission regulations and alternate fuels; Meeting bus emissions standards--a perspective; Economic evaluation of bus maintenance contracting; Objectives for a transit-bus-fleet management data, information, and knowledge exchange.

KoreaScience (Korea)

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UK PubMed Central (United Kingdom)

Purpose of reviewTo summarize recent advances in the classification of preradiographic axial spondyloarthritis (SpA).Recent findingsFull Text Available

ScienceCinema

...global warming such such a pressing ...global warming and actually for all climate change problems that ...for the global warming problem ...

KoreaScience (Korea)

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Energy Technology Data Exchange (ETDEWEB)

Manganese is an essential metal of toxicologic concern primarily because of exposure via inhalation. Environmental forms of Mn exist mainly as insoluble oxides, yet much of the research information available relates to the soluble salts. In the present study, adult male Sprague-Dawley rats were intratracheally instilled with either soluble MnCl/sub 2/ or insoluble Mn/sub 3/O/sub 4/ labeled with /sup 54/Mn. Lungs and other major organs were sampled over a span of 3 mo after dosing with the respective chemicals, which were equivalent to 8 ..mu..Ci and 1 ..mu..mol of manganese in 0.2 ml of buffer. There was rapid clearance of Mn from the lungs in the case of both chemicals; the chloride cleared at an initial rate of nearly four times that of the oxide. Despite this early difference, the amount of /sup 54/Mn remaining in the lungs after 2 wk was similar for both compounds. The level of /sup 54/Mn in the liver, kidney, spleen, and testes peaked at ...

Energy Technology Data Exchange (ETDEWEB)

Field studies were conducted May 28-June 1, 1979, to determine the chemical composition and physical behavior of discharges from an offshore gas drilling rig in the central basin of Lake Erie. The drilling operation was observed for four days, from rig jackup to the circulation of mud through the borehole after drilling had been completed. Resuspension studies using nephelometry, supplemented with chemical analyses, indicated little resuspension of lake bottom materials or release of metals to the water column during rig jack-up. Portions of the turbidity plumes generated during drilling were buoyant. Three surface turbidity plumes were mapped with nephelometry to a point at which particulate concentrations reached background levels in the Lake. Detectable plumes were approx. 400 to 1500 m in length and had maximum widths < 230 m. A chemical survey conducted in the plume during early gas shows indicated that discharged inorganic chemical ...

Energy Technology Data Exchange (ETDEWEB)

This thesis deals with the evaluation of Solar Grade Silicon (SoG-Si) purified by different techniques, and also the fabrication and characterization of high efficiency and advanced bifacial solar cells. In the beginning of Chapter 1, various SoG-Si production methods relevant for this work are qualitatively described. The three feedstock materials used in this work are from the Fluidized Bed Reactor (FBR) process, metallurgical feedstock-I and feedstock-II process. In metallurgical feedstock-I, the lifetime of the minority charge carriers in multicrystalline silicon (mc-Si) samples at the grain boundaries are found to be higher than the grains themselves possibly due to lower resistivities in the grain boundaries. The efficiency of the best solar cell obtained using the mc-Si metallurgical feedstock-I is 16.1%. It has been identified that the fast light induced degradation, whose magnitude is lower than that of a reference cell suggests the formation of a B-metal ...

Energy Technology Data Exchange (ETDEWEB)

Bis(diphenylphosphino)phenylamine can be selectivity oxidized by S or Se in toluene or hexane solvents to the monooxidized thioyl or selenoyl products Ph[sub 2]PN(PH)PPh[sub 2]=E, (E = S, Se). These compounds act as bidentate chelate ligands toward metal complexes forming (CO)[sub 4]M(LL) (M = Mo, W), CO(Cl)Rh(LL), and Cl[sub 2]M(LL), (M = Pt, Pd) where (LL) is the thioyl or selenoyl derivative of the aminobis(phosphine). IR and NMR data are given for all complexes. The carbonyl infrared stretching frequencies show that the chelates form with the phosphine cis to any CO which is present. The [sup 31]P NMR of all complexes of two doublets except for the Rh complexes wherein the Rh spin also couples to phosphorous to produce two doublets of doublets. The [sup 2]J[sub PP] values range from 56 to 112 Hz. [sup 1]J[sub PSe] coupling provide valuable assistance for the assignment of the phosphorus resonances which range widely from 55 to 126 ppm for P[sup III] and from 60 ...

CERN Document Server

A phase transition of gas-liquid type with an upper critical point is examined which arises in a model of charges of one sign on compensating background (OCP). The phase transition parameters are dependent on the detailed assumptions about the compressibility of the background, but the occurrence of this transition is independent on the background equation of state. In the electron-gas model ('jellium'), this transition appears to rule out Wigner crystallization. A variational principle in statistical mechanics is used to derive so-called Double-OCP model for a superposition of two one-component plasma models for charges of opposite sign. The free energy of this model sets an upper bound to that of a real plasma. Situations are discussed where this transition should manifest itself in anomalies in the approximate description of a non-ideal plasma.

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 situated above and below the six-membered palladium-silicon rings in a manner as it is known for the aluminum atoms in the AlB_2 type structure. ...

Energy Technology Data Exchange (ETDEWEB)

The production and characterisation of thin films made from molybdenum sulphide, molybdenum selenide, tungsten sulphide and tungsten selenide are described. The electronic properties of the thin films were examined by Hall measurements and by thermal sensors. For the MoSe[sub 2] films, the majority of the samples were n-conducting and p-conduction was only found for a few examples. All the other films (MoS[sub 2], WS[sub 2], WSe[sub 2]) were p-conducting. The electrical transport properties of the thin films are comparable to those of single crystals. With these thin films as absorber materials, it was possible for the first time to produce the polycrystalline solid n-ZnO/p-MoSe[sub 2], n-ZnO/WSe[sub 2], n-ZnO/WS[sub 2]- and n-ITO/WS[sub 2] solar cells. In spite of not yet optimized diode geometry (lateral build-up), a maximum short circuit current of I[sub SC] = 18 mA/cm[sup 2] was achieved for the MoSe[sub 2] diode. (orig.)

International Nuclear Information System (INIS)

Using the full potential linearized augmented plane wave (FLAPW) method, thickness dependent magnetic anisotropy of ultrathin FeCo alloy films in the range of 1 monolayer (ML) to 5 ML coverage on Pd(0 0 1) surface has been explored. We have found that the FeCo alloy films have close to half metallic state and well-known surface enhancement in thin film magnetism is observed in Fe atom, whereas the Co has rather stable magnetic moment. However, the largest magnetic moment in Fe and Co is found at 1 ML thickness. Interestingly, it has been observed that the interface magnetic moments of Fe and Co are almost the same as those of surface elements. The similar trend exists in orbital magnetic moment. This indicates that the strong hybridization between interface FeCo alloy and Pd gives rise to the large magnetic moment. Theoretically calculated magnetic anisotropy shows that the 1 ML FeCo alloy has in-plane magnetization, but the spin reorientation ...

Energy Technology Data Exchange (ETDEWEB)

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 to band structure ...

International Nuclear Information System (INIS)

Results of self-consistent local-spin-density-functional calculations are reported for the first time for the Ni(110) surface, represented by one-, three-, and five-layer slabs. Calculations for one- and five-layer slabs of Ni(100) are also reported. The behavior of the surface magnetization with varying slab thickness elucidates the nature and origin of the surface magnetic moment. We predict a 13% enhancement of the Ni(110) surface magnetic moment compared to the bulk value. For the Ni(100) surface, we find a smaller surface enhancement about 7%, compared to bulk, which agrees with the results of Jepsen et al. The enhancement of surface magnetic moments on Ni(100) and Ni(110) surfaces is attributed to s-d dehybridization at the surface and to the presence of electrostatic shifts required to maintain layer-by-layer charge neutrality. We find that the total d-electron charge is the same in each layer, which contradicts the sp-to-d charge transfer found by Tersoff and Falicov at ...

Energy Technology Data Exchange (ETDEWEB)

High voltage cathode materials Li-excess layered oxide compounds Li[Ni{sub x}Li{sub 1/3-2x/3}Mn{sub 2/3-x/3}]O{sub 2} (0 < x < 1/2) are investigated in a joint study combining both computational and experimental methods. The bulk and surface structures of pristine and cycled samples of Li[Ni{sub 1/5}Li{sub 1/5}Mn{sub 3/5}]O{sub 2} are characterized by synchrotron X-Ray diffraction together with aberration corrected Scanning Transmission Electron Microscopy (a-S/TEM). Electron Energy Loss Spectroscopy (EELS) is carried out to investigate the surface changes of the samples before/after electrochemical cycling. Combining first principles computational investigation with our experimental observations, a detailed lithium de-intercalation mechanism is proposed for this family of Li-excess layered oxides. The most striking characteristics in these high voltage high energy density cathode materials are (1) formation of tetrahedral lithium ions at voltage less than 4.45 V and (2) ...

International Nuclear Information System (INIS)

We apply our previously developed first-principles nonlocal pseudopotentials (obtained for all atoms of rows 1--5 in the Periodic Table) to study self-consistently the electronic structure of Si and Ge and the transition metals Mo and W. For Si and Ge we find that the first-principles pseudopotentials yield valence-band states in good agreement with the empirically adjusted pseudopotential and photoemission data, whereas the low conduction-band states appear to be consistently lower in energy due apparently to incomplete cancellation of the self-interaction effects. The calculated x-ray scattering factors (obtained by core orthogonalization of the pseudo-wave-functions) are in excellent agreement with experiment. The self-consistent valence charge density shows a distinct elongation of the covalent bond along the internuclear axis, in good agreement with the experimentally synthesized density. The systematic deviations of the empirical ...

Energy Technology Data Exchange (ETDEWEB)

An overview of the understanding of correlation between valence electron and the optical properties of binary (A{sup N}B{sup 8-N}) and ternary (A{sup N}B{sup 2+N}C{sub 2}{sup 7-N}) tetrahedral semiconductors is presented here. We have presented two expressions relating the dielectric constant and electronic polarizability for the transition metal chalcogenides and pnictides (A{sup II}B{sup VI} and A{sup III}B{sup V}) and chalcopyrites (A{sup I}B{sup III}C{sub 2}{sup VI} and A{sup II}B{sup IV}C{sub 2}{sup V}) with the product of valence electrons and nearest neighbour distance d (A). The dielectric constant and electronic polarizability of these solids exhibit a linear relationship when plotted on a log-log scale against the nearest neighbour distance d (A), but fall on different straight lines according to the valence electron product of the compounds. We have applied the proposed relation on these solids and found a better agreement with the ...

British Library Electronic Table of Contents (United Kingdom)

Statement of problem The opacity of the metal framework in metal ceramic restorations results in reduced light transmission through the tooth that diminishes the esthetics of the tooth. Purpose The purpose of this study was to investigate the color change that occurs apically to a metal ceramic restoration as a result of altering the metal framework design. Material and methods Color change relative to the unprepared tooth (DE) between various metal ceramic restorations was determined using computer imaging and CIELAB coordinates and compared to previously determined levels of clinical acceptability. Color change was evaluated by examining 2 conditions (the metal copings and the completed metal ceramic restorations), 4 framework designs (metal collar and porcelain margins with 0-mm, 1-mm, ...

CERN Document Server

We compare the metallicities of stars with radial velocity planets to the metallicity of a sample of field dwarfs. We confirm recent work indicating that the stars-with-planet sample as a whole is iron rich. However, the lowest mass stars tend to be iron poor, with several having [Fe/H]0.48) that contributes to but does not explain the mass-metallicity trend in the stars-with-planets sample. We use Monte Carlo models to show that adding an average of 6.5 Earth masses of iron to each star can explain both the mass-metallicity and the age-metallicity relations of the stars-with-planets sample. However, for at least one star, HD 38529, there is good evidence that the bulk metallicity is high. We conclude that the observed metallicities and metallicity trends are the result of the interaction of three effects; accretion of ...

Energy Technology Data Exchange (ETDEWEB)

The surface properties of copper-refractory metal (CU-RF) alloy bodies are modified by heat treatments which cause the refractory metal to form a coating on the exterior surfaces of the alloy body. The alloys have a copper matrix with particles or dendrites of the refractory metal dispersed therein, which may be niobium, vanadium, tantalum, chromium, molybdenum, or tungsten. The surface properties of the bodies are changed from those of copper to that of the refractory metal.

International Nuclear Information System (INIS)

The two-phase flow regime transition in a large diameter (I.D.=200mm) vertical pipe was experimentally investigated using a dual-sensor optical probe. The flow transitions from bubbly to chum without an intermediate slug flow regime as the air flow rate is increased. The transition boundaries developed for bubbly to slug flow in small diameter pipes are compared to the bubbly to chum flow transition of the present experiment. The bubbly to chum transition occurs at a void fraction of about 0.15 compared to 0.25 for bubbly to slug transition in small diameter pipes. The radial distribution of bubble diameter, bubble frequency, bubble velocity and local void fraction were obtained using a dual-sensor optical probe at different flow conditions. The Probability Density Function (PDF) and Cumulative Distribution Function (CDF) of the bubble velocity and size are used ...