International Nuclear Information System (INIS)

A new analysis is developed for long secondary photocurrent transients which gives the distribution of trapped holes in valence band tail states. Thermally assisted tunneling to dangling bonds is implicated as the rate limiting step in hole-recombination. Light-soaking causes the energetically deeper hole traps with the longer residence times to be lost first and in the same number as would be expected for the increase in dangling bonds; This result supports a model which has hole trapping in valence tail states as a precursor to light induced dangling bonds.

UK PubMed Central (United Kingdom)

A synthetic strategy for constructing ionic hydrogen-bonded materials by combining perhalometallate anions with cations able to serve as hydrogen bond donors is presented. The approach is based on identification...Full Text Available

International Nuclear Information System (INIS)

In recent years sufficient new spectra of actinides in their numerous valence states have been measured to encourage a broader scale analysis effort than was attempted in the past. Theoretical modelling in terms of effective operators has also undergone development. Well established electronic structure parameters for the trivalent actinides are being used as a basis for estimating parameters in other valence states and relationships to atomic spectra are being extended. Recent contributions to our understanding of the spectra of 4+ actinides have been particularly revealing and supportive of a developing general effort to progress beyond a preoccupation with modelling structure to consideration of the much broader area of structure-bonding relationships. We summarize here both the developments in modelling electronic structure and the interpretation of apparent trends in bonding. 60 refs., 9 figs., 1 ...

International Nuclear Information System (INIS)

The isostructural #gamma#-#alpha# phase transition of Ce which occurs at 8 kbar has been studied by means of fully self-consistent (non-muffin-tin potential) linearized-augmented-plane-wave energy band calculations carried out for five different values of the lattice constant. In contradiction to the 4f electron promotional model of the transition, the results yield essentially one 4f electron to be occupied in each phase but with the 4f wave function somewhat less localized, and therefore more bandlike, in the ''collapsed'' #alpha# phase. A singly occupied 4f state is shown to be consistent with the available experimental data. These results strongly support the picture of a 4f localized bold-arrow-left-right itinerant transition at the #gamma#-#alpha# transition and conflict with the promotional model in which some fraction of 4f electrons are transferred to the sd conduction bands. The weaker bonding of the 4f electrons, compared to that of the 6s-5d ...

Energy Technology Data Exchange (ETDEWEB)

Electrostatic fields of the order of 1 V/Angst, as they occur at field emission tips, are comparable to those experienced by valence electrons in atoms and molecules. Such fields are strong enough to induce a significant redistribution of the valence charge in chemical bonds. In this work we investigate the effects on the electronic properties of a single adatom on a metal surface induced by the presence of an electrostatic field. In particular we present the results of a full ab initio DFT calculation, within the embedding method, of the CCV Auger spectra of Si and Mg atoms in and on a jellium-Ag host. Differently from impurities in bulk, Auger spectral profiles of adsorbates on metal surfaces can show notable modifications due to the applied electric field.

Science.gov (United States)

The results of an investigation into the behavior of adhesively bonded doubler splices of two composite material sandwich panels are presented. The splices are studied from three approaches: analytical; numerical (finite elements); and experimental. Several parameters that characterize the splice are developed to determine their influence upon joint strength. These parameters are: doubler overlap length; core stiffness; laminate bending stiffness; the size of the gap between the spliced sandwich panels; and room and elevated temperatures. Similarities and contrasts between these splices and the physically similar single and double lap joints are discussed. The results of this investigation suggest several possible approaches to improving the strength of the sandwich splices.

International Nuclear Information System (INIS)

We report a detailed augmented-plane-wave energy-band study and wave-function analysis of stoichiometric PdH which shows that, even though the Fermi surface of PdH is qualitatively similar to that of silver, the simple ''proton model'' is not valid. Instead, the screening of the proton in PdH is found to be larger than in an isolated H atom due, in part, to the formation of a H-Pd bonding band below the bottom of the d-band complex. This result, which is in qualitative agreement with Switendick's earlier calculation, is confirmed by ultraviolet photoemission experiments. A partial density-of-states (DOS) analysis in the energy range spanned by the six valence and conduction bands reveals the quantitative details of the bonding mechanism between the Pd and H constituents. At the Fermi energy, the high Pd d to H s DOS ratio approx. 10.3 is found to be far higher than expected in silver, despite the fact that the Fermi-surface ...

CERN Document Server

We review the interplay of frustration and strong electronic correlations in quasi-two-dimensional organic charge transfer salts, such as k-(BEDT-TTF)_2X and Et_nMe_{4-n}Pn[Pd(dmit)2]2. These two forces drive a range of exotic phases including spin liquids, valence bond crystals, pseudogapped metals, and unconventional superconductivity. Of particular interest is that in several materials there is a direct transition as a function of pressure from a spin liquid Mott insulating state to a superconducting state. Experiments on these materials raise a number of profound questions about the quantum behaviour of frustrated systems, particularly the intimate connection between spin liquids and superconductivity. Insights into these questions have come from a wide range of theoretical techniques including first principles electronic structure, quantum many-body theory and quantum field theory. In this review we introduce the basic ideas of the field ...

CERN Document Server

While dealing with molecular systems, it is highly advantageous to work with a basis set which has definite total spin and also belongs to a definite irreducible representation of its symmetry (point) group. But unfortunately, there hadn't been any general simple technique to deal with the problem, especially when molecule possesses non-Abelian point group symmetry. In a previous paper \\cite{sahoo}, we presented a general technique which is a hybrid method based on Valence Bond basis and the basis of z-component of the total spin. The technique is applicable to all types of point groups and is easy to implement on computer. We illustrated the power of the method by applying it to a molecular magnetic system. Here we extend the method to electronic systems and demonstrate this extended technique by applying it to a model icosahedral half-filled electronic system (12 sites). Reasons we took this model are, its a system with huge Hilbert space ...

Science.gov (United States)

Within the framework of the cluster approach and the semiempirical SCF MO LCAO method in the CNDO/BW valence approximation, possible pathways have been compared for the dehydroxylation of aluminosilicate systems. It has been shown that dehydroxylation as a result of splitting of a water molecule from an acidic bridge hydroxyl group and a more basic terminal group Al-OH is the most energyfavorable. Apparently, such a dehydroxylation pathway is primarily characteristic for amorphous aluminosilicates. Typical of crystalline aluminosilicates at moderate heat-treating temperature is dehydroxylation through splitting of a water molecule from an acidic bridge hydroxyl group and a neutral Si-OH group; at higher temperatures, there is a possible pathway of dehydroxylation of highsilica zeolites as a result of condensation of two acidic surface hydroxyls.

International Nuclear Information System (INIS)

The effects of hydrostatic pressure on the electronic band structure of the semiconductor mineral iron pyrite FeS_2 have been investigated theoretically by an ab initio full-potential linearized-augmented plane wave (FPLAPW) method within a local approximation (LDA/GGA) to the density functional theory. The calculations predict that at a pressure of 94.1 GPa the indirect band gap of pyrite FeS_2 vanishes and the material becomes a metal. This is due to the presence of the S-S and Fe-S bonds, which provide novel energy band distortions in the process of attaining the metallic state. Analysis indicates that, under increasing high pressure, the conduction bands (3p_z of sulfur and 3d_x_"2_-_y_"2+3d_x_y of iron) intrude downwards into the valence bands, which are predominantly 3d in nature. At normal pressure, the lattice constant, the bulk modulus, sulfur position parameter u, S-S bond length, and the indirect band gap of ...

British Library Electronic Table of Contents (United Kingdom)

Nanomaterials are increasingly being used to modify adhesives used in aerospace and materials applications. Improvements in thermal and mechanical properties have been found by incorporation of small amounts of nanosize materials in to such adhesives. However, the introduction of nanomaterials to adhesives used in civil engineering applications is still a new approach which needs to be explored, especially in retrofitting of structures. This paper presents part of an ongoing research to address the effect of adding nanomaterials to modify a thermosetting adhesive used for bonding carbon fibre reinforced polymer (CFRP) composites to concrete members. Vapour grown carbon fiber (VGCF) was chosen to modify the adhesive. Different concentrations of carbon nanofibres PR-24 XT-LHT were adopted fo...

International Nuclear Information System (INIS)

Short communication.

Energy Technology Data Exchange (ETDEWEB)

Despite the rapid development of literature pertaining to fundamental (1-4) studies of oxidation catalysis, a general theory of heterogeneous selective oxidation catalysis explaining the selectivity behavior of different metal oxide systems has not yet been developed. Redox mechanisms have been widely invoked in the kinetic and mechanistic descriptions of selective oxidation reactions, suggesting a dynamic behavior of hydrocarbon and oxygen interactions with the catalyst surface. Nevertheless, most of the recent theoretical approaches of this subject matter (5-7) are essentially static in nature. Correlations are made with surface structure on the basis of crystallographic considerations with selectivity being related to the nature, number, bond-strength and nearness of oxygen atoms in the neighborhood of adsorption centers. The effect of the reaction medium on the configuration of the catalyst surface, and thus its influence on the reaction ...

Energy Technology Data Exchange (ETDEWEB)

The magnetic susceptibility and high-field magnetization have been measured for the intermediate valence system Eu(Pd{sub 1{minus}x}Pt{sub x}){sub 2}Si{sub 2} with 0{le}x{le}0.15. A first-order valence transition is observed for all the compounds under high field of 100 T at low temperatures. This valence transition is of first order accompanied with a large hysteresis, which is in contrast to a continuous valence change against temperature. Based on the interconfigurational fluctuation (ICF) model, the temperature- and field-induced valence transitions are discussed. It is found that a first-order valence transition can be induced by magnetic field, even if the system shows a continuous valence transition against temperature. Metamagnetic behavior at finite temperatures is also understood qualitatively by the ICF model. {copyright} {ital ...

Science.gov (United States)

... more than expected in developing a unique bond strength measurement protocol that is important for a wide range of bond strength measurements. ...

Energy Technology Data Exchange (ETDEWEB)

The ep{yields}e'p{rho}{sup 0} reaction has been measured using the 5.754 GeV electron beam of Jefferson Lab and the CLAS detector. This represents the largest ever set of data for this reaction in the valence region. Integrated and differential cross-sections are presented. The W, Q{sup 2} and t dependences of the cross-section are compared to theoretical calculations based on the t-channel meson-exchange Regge theory, on the one hand, and on quark handbag diagrams related to Generalized Parton Distributions (GPDs) on the other hand. The Regge approach can describe at the {approx}30% level most of the features of the present data while the two GPD calculations that are presented in this article which succesfully reproduce the high-energy data strongly underestimate the present data. The question is then raised whether this discrepancy originates from an incomplete or inexact way of modelling the GPDs or the associated hard scattering ...

Science.gov (United States)

We report here a new approach to introduce the effect of chemisorption in the Monte-Carlo simulation procedure for studying the segregation behaviour in bimetallic nanoparticles at low pressures. A coordination-dependent pair interaction energy is constructed in terms of partial bond energies and the exchange energy where the partial bond energy can be empirically calculated from the experimental values of dimer energy, the pressure-dependent surface energy and the bulk cohesive energy of the constituent metals. The advantage of this procedure is the ability to estimate the pressure-dependent surface composition of the nanoparticles. The method has been applied to oxygen-adsorbed Pd-Ag systems; and it is found that while Ag segregate in clean particles, at higher oxygen pressures Pd atoms segregate to the surface. The present technique has been argued to be suitable for higher pressures (>10-5Torr) when coverage cannot ...

International Nuclear Information System (INIS)

Isotropic Compton profiles of TaC and TaN have been measured for the first time, at an intermediate resolution, using 662 keV #gamma#-radiation. Energy bands, density of states and Fermi surface topology of TaC and TaN have been computed using linear combination of atomic orbitals with density functional theory and full potential linearised augmented plane wave method. Both band structure calculations predict the metallic character of TaC and TaN. The electron momentum densities calculated using various approaches of density functional theory are compared with the present measurements. On the basis of Mulliken's population, it is also seen that TaC has more covalent bonding than TaN. The optical properties computed using full potential linearised augmented plane wave method are explained in terms of intraband transitions.

Energy Technology Data Exchange (ETDEWEB)

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

Energy Technology Data Exchange (ETDEWEB)

Oxide catalysis plays a central role in hydrocarbon processing and improvements in catalytic activity or selectivity are of great technological importance because these improvements will translate directly into more efficient utilization of hydrocarbon supplies and lower energy consumption in separation processes. An understanding of the relationships between surface structure and catalytic properties is needed to describe and improve oxide catalysts. Our approach has been to prepare supported oxides that have a specific structure and oxidation state and then employ these structures in reaction studies. Our current research program is focused on studying the fundamental relationships between structure and reactivity for two important reactions that are present in many oxide-catalyzed processes, partial oxidation and carbon-carbon bond formation. Oxide catalysis can be a complex process with both metal cation and oxygen anions participating in ...

International Nuclear Information System (INIS)

Intraionic spin-orbit--split multiplet levels have been observed by electronic Raman scattering in the intermediate-valence compound EuPd_2Si_2. From the temperature dependence of the Raman peak positions and widths the interconfigurational excitation energy E/sub x/ and an upper limit of the interconfigurational mixing width T/sub f/, respectively, have been obtained. This is the first spectroscopic support for the underlying assumptions of the ionic interconfigurational fluctuation model that has been proposed to describe intermediate valence.

International Nuclear Information System (INIS)

... low temperature moessbauer effect palladium silicides thulium silicides thulium

Science.gov (United States)

Two manufacturing processes have been developed for fabricating PLZT bonded lens assemblies (BLA's) for the USAF EEU-2/P Thermal/Flash Protective Goggle. One process utilizes thin Sylgard spacers which remain in the BLA to establish bond thickness between...

Science.gov (United States)

Three bonding agents were evaluated to determine which were most effective in enhancing the bond of resin composite to stainless steel. A light-activated resin composite was bonded to a total of 60 stainless steel specimens using Panavia, Cover-Up, or Silicoating. Tensile bond strength measurements revealed that all three agents provide a satisfactory means of increasing adherence of the esthetic veneer without decreasing bonding through thermocycling of the specimens. Panavia and Cover-Up were significantly more effective than Silicoating and appear to be easier to use. PMID:8297460

International Nuclear Information System (INIS)

Here we describe the use of low energy plasma immersion with active screen as a convenient approach for polypropylene (PP) surface modification. Employing a stainless steel cathodic cage coated with carbon in order to prevent the sputtering of iron from the grid and its deposition onto the polymer sample, the physical chemical properties of PP surface could be effectively modified through the plasma-induced incorporation/formation of nitrogen- and oxygen-containing species. The areal densities of these elements depended on the plasma excitation source, as determined by Rutherford backscattering spectrometry (RBS). Newly formed C-O, C-N, and C=O/O=C-O/N-C=O bonds along with C-C linkages from the PP backbone were identified at the near surface region of the specimens by X-ray photoelectron spectroscopy (XPS). The insertion of such polar reactive functionalities was further confirmed by a substantial decrease in the water contact angle upon plasma ...

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

International Nuclear Information System (INIS)

In YbPd_2Si_2, the valence of Yb is very close to 3+. Ge substitution of Si induces a negative pressure effect and the valence of Yb decreases. For the low Ge concentrations studied, the spin fluctuation temperature T_s_f increases and #chi#4f, the Yb derived 4f susceptibility, obeys the scaling law #chi#4f(T)=F(T/T_s_f). (orig.).

Energy Technology Data Exchange (ETDEWEB)

We report on solid solution CePd[sub 2-x]Mn[sub x]Si[sub 2] which shows an interesting transition of the Ce-ion from magnetism in a Kondo regime to an intermediate valence state coupled with a strongly magnetic 3d sublattice. ((orig.))

International Nuclear Information System (INIS)

K?-to-K? X-ray intensity ratios of Ti and Ni have been measured in pure metals and in alloys of TixNi1-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 109Cd radioactive point source. The valence-electron configurations of these metals were determined by corporation of measured K?-to-K? 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 element to the other element and/or the rearrangement of ...

International Nuclear Information System (INIS)

The fission gas xenon bonded in bubbles, in pore, and in the lattice of mixed carbide fuels is measured by electron-probe microanalysis. Radial xenon distribution and release curves are determined and are calibrated by gas chromatography of the bonded fission gas and by burnup analysis in the respective pin sections of the irradiation experiments FR2 6A and 6C, Mol 11/K 2, and DFR 330/1. The results are correlated to the microstructure of the fuel, bonding medium, temperature, and burnup. (Auth.).

Czech Academy of Sciences Repository

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International Nuclear Information System (INIS)

Carbide ceramics such as boron carbide due to their unique properties such as low density, high refractoriness, and high strength to weight ratio have many applications in different industries. This study focuses on direct bonding of boron carbide for high temperature applications using nickel interlayer. The process variables such as bonding time, temperature, and pressure have been investigated. The microstructure of the joint area was studied using electron scanning microscope technique. At all the bonding temperatures ranging from 1150 to 1300degC a reaction layer formed across the ceramic/metal interface. The thickness of the reaction layer increased by increasing temperature. The strength of the bonded samples was measured using shear testing method. The highest strength value obtained was about 100 MPa and belonged to the samples bonded at 1250 for 75 min ...

Science.gov (United States)

By using a model dielectric matrix in electron self-energy evaluations the computational effort of a quasiparticle band-structure calculation for a semiconductor is greatly reduced. Applications to various systems with or without inversion symmetry, having narrow or wide band gaps, and semiconductor alloys demonstrate the reliability and accuracy of the method. Calculations have been performed for thirteen semiconducting or insulating materials: Si, LiCl, AlP, AlAs, AlSb, GaP, GaAs, GaSb, InP, InAs, InSb, and the Al{sub 0.5}Ga{sub 0.5}As and In{sub 0.53}Ga{sub 0.47}As alloys. Excellent agreement with experimental results is obtained for the quasiparticle energies for these materials. The only three exceptions, {ital E}({Gamma}{sub 1{ital c}}) of AlP, {ital E}({ital L}{sub 1{ital c}}) of AlAs, and {ital E}({ital L}{sub 1{ital c}}) of AlSb are discussed and attributed to various experimental uncertainties. Several other quasiparticle-excitation-related properties are also examined in ...

Energy Technology Data Exchange (ETDEWEB)

Successful interface engineering requires compositional and electronic material characterization as a prerequisite for understanding and intentionally generating interfaces in photovoltaic devices. The paper gives an overview with several examples, all referring to Cu(In,Ga)(S,Se){sub 2} ('CIGSSe')-based solar cells, with an emphasis on characterization using highly specialized methods, such as elastic recoil detection analysis, X-ray emission spectroscopy and photoelectron spectroscopy using synchrotron and ultraviolet light for excitation, inverse photoemission spectroscopy and Kelvin probe force microscopy. First, the determination of the depth profile of the band gap energy E{sub g} in the absorber layer is demonstrated. The modification of E{sub g} towards both interfaces is discussed in terms of beneficial electronic effects. Next, the interface between absorber and buffer layers with alternative and promising non-toxic materials is considered. Between CIGSSe ...

Energy Technology Data Exchange (ETDEWEB)

The superplastic characteristics and diffusion bonding behaviors were investigated in commercial 7475 aluminum alloy and AZ31 magnesium alloy sheets. In this study, the presently used materials behaved in a superplastic manner at {proportional_to} 773 K (7475Al) and {proportional_to} 523 K (AZ31). Then, by the theoretical relationship between pressure and time, these materials were successfully diffusion bonded at the superplastic temperatures. The bonding strength was more than 65 MPa. The experimental bonding conditions in high quality joining, times and pressures, were good agreed with prediction analysis. (orig.)

International Nuclear Information System (INIS)

This paper introduces the JNM Special Issue on the development of a first wall for the reaction chamber in a laser fusion power plant. In this approach to fusion energy a spherical target is injected into a large chamber and heated to fusion burn by an array of lasers. The target emissions are absorbed by the wall and encapsulating blanket, and the resulting heat converted into electricity. The bulk of the energy deposited in the first wall is in the form of X-rays (1.0-100 keV) and ions (0.1-4 MeV). In order to have a practical power plant, the first wall must be resistant to these emissions and suffer virtually no erosion on each shot. A wall candidate based on tungsten armor bonded to a low activation ferritic steel substrate has been chosen as the initial system to be studied. The choice was based on the vast experience with these materials in a nuclear environment and the ability to address most of the key remaining issues with existing ...

Science.gov (United States)

The development of new efficient afterglow phosphors is currently hampered by a limited understanding of the persistent luminescence mechanism. Radioluminescence (RL) and x-ray absorption measurements on the persistent phosphor SrAl2O4:Eu,Dy were combined to reveal possible valence state changes for the rare earth (co)dopants. Traps in the phosphor material are quickly filled when exposing thermally emptied SrAl2O4:Eu,Dy powder to x rays. On the same time scale a partial oxidation of Eu2+ to Eu3+ is observed by x-ray absorption near-edge spectroscopy (XANES), while for the trivalent dysprosium the valence state remains unchanged. The impact of these observations on the recently proposed models for persistent luminescence is discussed.

International Nuclear Information System (INIS)

Neutron capture #gamma#-ray spectra have been measured at 11 average neutron energies from 10 to 530 keV in /sup 88/Sr using a 20 x 15 cm NaI detector with time-of-flight discrimination of background events. The partial radiation widths and the calculated partial valence widths are compared for the strong p-wave resonances at 287 and 321 keV and found to be highly correlated. At these energies, the spectra are dominated by strong transitions to low-lying single particle states, in confirmation of the role of valence capture in the 3p region. However, the data do not support this mechanism at <508> keV.

Science.gov (United States)

Aminated poly(vinyl chloride) (PVC) membranes were prepared that had a Nernstian response over a wide range of pH. The reaction between PVC and methyl-piperazine (MePIP) in dimethylformamide (DMF) was studied over a wide range of time and temperature, and in the presence of the catalyst, potassium fluoride (KF). Time, temperature, and KF increased the nitrogen (N) content of the resulting polymers, but sometimes at the expense of decreasing their specific viscosities (molecular weights). Activation energies of processes that occurred in different temperature ranges were estimated assuming an Arrhenius relationship. A Nernstian response occurred once the N content approached to about 0.3 w/w %, and was accelerated by the presence of KF at elevated temperatures. Increasing the N content above about 3% led to a loss of the Nernstian response either because of an increase in the double bond content and a subsequent decrease in polymer mobility, or ...

Science.gov (United States)

Chlorinated organics are frequently found as harmful soil contaminants and persisted for extended periods of time. A novel approach, named pulsed corona discharge plasma (PCDP), was employed for the degradation of pentachlorophenol (PCP) in soil. Experimental results showed that 87% of PCP could be smoothly removed in 60 min. Increasing pulse voltage, enhancing soil pH, lowering humic acid (HA) in soil and reducing granular size of the soil were found to be favorable for PCP degradation efficiency. Oxidation and physical processes simultaneously contributed to PCP removal in soil and ozone was the main factor in PCDP treatment. C-Cl bonds in PCP were cleaved during PCDP treatment by Fourier transform infrared spectroscopy (FTIR) analysis. The mineralization of PCP was confirmed by total organic carbon (TOC) and dechlorination analyses. The main intermediate products such as tetrachlorocatechol, tetrachlorohydroquinone, acetic acid, formic acid, ...

International Nuclear Information System (INIS)

A novel adhesive for carbon materials composed of phenol-formaldehyde resin, boron carbide and fumed silica, was prepared. The adhesive property of graphite joints bonded by the above adhesive treated at high-temperatures was tested. Results showed that the adhesive was found to have outstanding high-temperature bonding properties for graphite. The adhesive structure was dense and uniform even after the graphite joints were heat-treated at 1500 deg. C. Bonding strength was 17.1 MPa. The evolution of adhesive structure was investigated. The results indicated that the addition of the secondary additive, fumed silica, improved the bonding performance greatly. Borosilicate phase with better stability was formed during the heat-treatment process, and the volume shrinkage was restrained effectively, which was responsible for the satisfactory high-temperature bonding performance of ...

Energy Technology Data Exchange (ETDEWEB)

Semiconductor nanocrystals smaller than the bulk exciton show substantial quantum confinement effects. Recent experiments including Stark effect, resonance Raman, valence band photoemission, and near edge X-ray adsorption will be used to put together a picture of the nanocrystal electronic states.

International Nuclear Information System (INIS)

The neutron capture cross sections of the stable molybdenum isotopes have been measured with high energy resolution (#DELTA#E/E < approximately 0.2%), between 3 and 90 keV neutron energy, at the 40 m station of ORELA. Average resonance parameters are extracted for s- and p-wave resonances. The s-wave neutron strength function is close to 0.5x10"-"4 for all isotopes, but the p-wave strength function exhibits a well defined peak near A approximately 95. Both s- and p-wave radiative widths decrease markedly as further neutrons are added to the closed shell. The p-wave radiative widths are generally greater than the s-wave widths showing the presence of non-statistical #gamma#-decay mechanisms. Valence neutron theory fails to explain the magnitude of the p- to s-wave radiative width disparity and doorway state processes are invoked. In particular, the data for "9"8Mo appear to violate the usual valence theory, since the correlations between ...

Energy Technology Data Exchange (ETDEWEB)

X-ray photoemission spectroscopy has been used to measure the valence band offset {Delta}E{sub v} for the AlP/GaP (001) heterojunction interface. The heterojunction samples were prepared by molecular-beam epitaxy. A value of {triangle}E{sub v}=0.43 eV is obtained (staggered band alignment, with AlP valence band below that of GaP). 24 refs., 8 figs., 1 tab.

International Nuclear Information System (INIS)

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

Science.gov (United States)

... without the problem of purple plague. The Au-Ni-In evaporated ... surface and bonding degradation (purple plague) St step-stress ...

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This paper is concerned with methods of limiting the build-up of transient voltages between sheath and armor in long armored power cables. Calculations by a frequency dependent cable model demonstrate that this voltage can be efficiently limited to an acceptable level by introducing sheath-armor bondings at regular intervals, or by using a semiconductive sheath-armor interlayer. The paper investigates the required minimum length between bondings, as well as the required conductivity of the sheath-armor interlayer if the use of bondings is to be avoided.

Science.gov (United States)

The thermodynamic characteristics of adsorption on the surface of graphitized thermal carbon black at 300 K were determined by the molecular statistical method for three phenylalklylamines. The influence of the intramolecular H-bond on the conformation of the molecules compared with structurally related n-alkyl-benzenes was considered. It was shown that the conformations of the molecules could influence chromatographic retention. Conformational isomers stabilized by intramolecular H-bonds were found to retain their structure in adsorption on graphitized thermal carbon black.

Energy Technology Data Exchange (ETDEWEB)

The development of rechargeable lithium batteries with a high mass capacity, made with non-toxic and low cost materials is an important industrial challenge. Morphological and structural modifications occurring in the electrode materials during charge-output cycles should not lower the electrochemical characteristics and the cycling properties of the battery. Thus the structure of electrode materials must be sufficiently deformable and stable to support the constraints linked with lithium intercalation and de-intercalation (ions and electrons absorption/extraction). The aim of this work is to explain some characteristics (mass capacity, ions and electrons mobility, cycling) using the relation between some mechanisms of lithium insertion (sites occupation, lattice reduction mods) and the nature of atoms and chemical bonds (covalence, ionicity). This approach is developed on 2-D models of crystallized and vitreous sulfur compounds (CdI{sub 2} ...

British Library Electronic Table of Contents (United Kingdom)

Ultrasonic gold and aluminum wire wedge bonding are widely used for electrical and signal interconnections of the integrated circuit chip packages. In this paper, based on the metallurgical theories and thermal aging test methods, the long-term thermal reliabilities of gold and aluminum wire wedge bonding on aluminum and Au/Ni/Cu pads, were investigated, respectively. At 200degreeC, the Au/Al bond interfaces evolved little when the storage time was less than 48h; with the aging time increasing, the interfacial intermetallic compounds (IMC) grew up from the pad (vertical growth); the primary compounds were Au5Al2 near the bond toe and heel, and Au2Al at the periphery. Then, the thickness of IMC was unchanged, and extended horizontally (lateral growth), Au5Al2 transformed into more stable Au...

Science.gov (United States)

The purpose of this study was to evaluate the resin-dentin interfacial morphology and shear bond strength of several new and experimental dentin bonding systems classified as single-bottle/total etch, multi-step/total etch, and self-etching. Class 1 and 5 cavities were prepared from freshly extracted permanent molars and restored with composite resin. Each bonded sample was cross sectioned and one-half was completely demineralized and deproteinized, while the other half was polished along the cut surface to permit measurement of the thickness of resin-infiltrated dentin layer (RIDL) within intertubular dentin (iRIDL) and around the peritubular walls (pRIDL) of resin tags by SEM. Shear bond strength was measured for all the systems 2 minutes after photocuring. SEM showed iRIDL and resin tags of different morphology depending on material and dentin location. The iRIDL was thinner in superficial dentin and ...

Energy Technology Data Exchange (ETDEWEB)

Neutron scattering experiments on the mixed-valence (MV) compounds SmB{sub 6} are reported. The inelastic magnetic response of SmB{sub 6} at T = 2 K, measured on a double-isotope single crystal,displays a strongly damped peak at 35 meV corresponding to the inter multiplet transition of Sm{sup 2+}. At lower energies ( h.{omega} {approx_equal} 14 meV), a narrow magnetic excitation is observed, with remarkable scattering-vector and temperature dependences of its intensity. This novel feature is discussed in terms of recent theoretical works describing the formation of an anisotropic local bound state in semiconducting MV materials. If the average samarium valence is decreased by substituting La for Sm, a peak is found to appear at high energies. The elastic magnetic form factor of SmB{sub 6} was determined using polarised neutrons and no significant difference is observed in its Q-dependence with respect to that of pure divalent samarium. This ...

Science.gov (United States)

The long-term durability of bonds between adhesive resins and dentin is of significant importance for the longevity of bonded restorations. We carried out an in vivo one-year study to evaluate the durability of resin-dentin bonds in the oral cavity, as well as to test the hypothesis that the adhesive interface would show morphological changes in vivo over time. Very shallow saucer-shaped dentin cavities were prepared in 12 intact teeth of one Japanese monkey (Macaca fuscata) under general anesthesia. The cavities were restored with Clearfil Liner Bond II and Clearfil Photo Posterior resin composite. The teeth were extracted at three different times: immediately, and 180 and 360 days after placement of the restorations. One day after the monkey was killed, specimens of the three time periods were subjected to the micro-tensile bond test at a crosshead speed of 1 mm/min. The surfaces ...

International Nuclear Information System (INIS)

Neutron resonance interactions with "1"0"0Mo were studied at a time-of-flight facility. The transmission of two oxide samples (97.4% "1"0"0Mo) was measured at a 78.20 m flight path and the neutron capture cross section was measured at 40.12 m. Resonance analyses yielded parameters of 124 resonances. Capture #gamma#-ray spectra from 11 resolved resonances were measured with a Ge(Li) detector at a 10.45 m flight path. In contrast to neighboring nuclei, partial radiation widths of strong p-wave resonances are not in agreement with valence model predictions.

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.).

Energy Technology Data Exchange (ETDEWEB)

The principle of conservation and transferability of chemical bonds explains the recent discovery by extended x-ray absorption fine-structure measurements of two unequal anion-cation bond lengths R/sub A/C and R/sub B/C in A/sub x/B/sub 1-x/C zinc-blende semiconductor alloys despite the close adherence of the lattice constant to the average value (Vegard rule). This bond alternation, manifested as a structural distortion to a local chalcopyrite coordination around the anions, explains also most of the observed optical bowing in semiconductor alloys.

Science.gov (United States)

Lecture notes (pdf) on Ceramics is part of a physics course on the properties of matter from the University of Auckland, Department of Chemical and Materials Engineering. The following topics are covered: types of chemical bonding, degree of ionic character, structure of ceramics and crystallography, interstitial sites in different crystal structures, silicate structures, glasses, glass transition temperature, glass viscosity, thermal and mechanical properties of ceramics and glasses, fracture properties of ceramics and processing of ceramic materials. Keywords: ionic bonds; covalent bonds; coordination numbers; thermal shock; grain growth; sintering; green body

Science.gov (United States)

A silicon solar cell assembly comprising a large, thin silicon solar cell bonded to a metal mount for use when there exists a mismatch in the thermal expansivities of the device and the mount.

UK PubMed Central (United Kingdom)

Aesthetic dentistry continues to evolve through innovations in bonding agents, restorative materials, and conservative preparation techniques. The use of direct composite restoration in posterior teeth...Full Text Available

British Library Electronic Table of Contents (United Kingdom)

Introduction The objective of this study was to investigate the in-vitro fluoride release from a glass ionomer orthodontic bonding system (Fuji I, GC Corporation, Tokyo, Japan) over a 2-month period and the in-vivo enamel fluoride uptake after 6 months. Methods Ten metal brackets were bonded with either glass ionomer or composite resin (Transbond XT, 3M Unitek, Monrovia, Calif; Light Cure), which served as controls, to recently extracted molars. The bonded teeth, cut at the level of their roots, were stored in distilled water that was renewed after every fluoride measurement at 1, 3, 7, 30, and 60 days. The in-vitro fluoride release was measured by using a fluoride ion-selective electrode, connected to an ion analyzer. Fifteen pairs of premolars were bonded with metal brackets with either ...

Science.gov (United States)

... Kingdom Atomic Energy Authority, .... G. .. aphit. J..int. Report No. AERE R/M 165 (April, 1958). (2) Slaughter, G. M., Metallurgy ...

Science.gov (United States)

In this paper we review and classify the various patterns of isosteric heat versus loading for adsorption of gases on graphitised thermal carbon black at temperatures ranging from below the 3D triple point to temperatures above it, but less than the 3D critical point. We have identified the features of heat curve and highlighted the microscopic origin of these features. The patterns vary with temperature and with the relative strength of the fluid-fluid interaction and solid-fluid interaction. For simple adsorptives (by simple we meant there is no strong association between fluid particles), the heat curve is typified by fluid-fluid attraction and layering phenomena. For adsorptives showing strong association such as water, ammonia and methanol, the heat curve essentially begins below the condensation heat and then approaches it as loading is increased. This is mainly due to the strong hydrogen bonding in these fluids. A third group includes ...

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An analysis of the energy level structure of Cr{sup 3+} ions in Cs{sub 2}NaAlF{sub 6} crystal is performed using the exchange charge model (ECM) together with the crystal field analysis/microscopic spin Hamiltonian (CFA/MSH) computer package. Utilizing the crystal structure data, our approach enables modelling of the crystal field parameters (CFPs) and thus the energy level structure for Cr{sup 3+} ions at the two crystallographically inequivalent sites in Cs{sub 2}NaAlF{sub 6}. Using the ECM initial adjustment procedure, the CFPs are calculated in the crystallographic axis system centred at the Cr{sup 3+} ion at each site. Additionally the CFPs are also calculated using the superposition model (SPM). The ECM and SPM predicted CFP values match very well. Consideration of the symmetry aspects for the so-obtained CFP datasets reveals that the latter axis system matches the symmetry-adapted axis system related directly to the six Cr-F bonds well. ...

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A comparative study by Eu-L/sub III/ X-ray absorption and /sup 151/Eu-Moessbauer spectroscopy is presented for the EuPd/sub 2-x/Au/sub x/ Si/sub 2/ series. Possible ways to distinguish between mixed-valent behaviour and final-state effects in the L/sub II /I-edge spectra are discussed.

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The Si-L X-ray emission spectrum of amorphous hydrogenated silicon (a-Si:H) is presented and discussed. For a qualitative interpretation of the measured spectra cluster calculations of pure Si clusters (SiSi4) and Si clusters with hydrogen (SiSi3H) have been performed using a simplified LCAO-X scheme. In general the level shifts caused by introduction of hydrogen are small compared with the valence band width.

International Nuclear Information System (INIS)

The optical properties of uranium monochalcogenides and monopnictides are discussed in terms of their electronic structure. A comparison is made with corresponding rare earth compounds. It is shown that there are close similarities to mixed valence CeN. the results support the occurrence of a dip in the density of d states near Esub(F), where the f density of states has its maximum. Empirical energy level schemes are derived which are found to agree with the existing information from XPS measurements and recent theories. (orig.).

International Nuclear Information System (INIS)

The K"+- and K"-meson cumulative production cross sections are measured at 119"0 in the laboratory system on nuclei Be, Al, Cu and Ta bombarded by 10 GeV protons. Spectra of the K"-mesons consisting of only sea quarks show universal features characteristic of the spectra of cumulative particles, which contain valence quarks. Evidence is obtained for the fact that the energy density in a flucton can exceed the mean nuclear density by an order of magnitude.

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Chemical influences on the relative Ksub(..beta..)/Ksub(..cap alpha..) x-ray intensity ratio up to five per cent were found for different chemical constitutions of Cr, Mn, Fe and Cu by very precise PIXE measurements. In the discussion of these effects, screening of 3p electrons by a varying 3d valence charge, as well as polarizational effects are of importance.

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We present a calculation of the charmonium spectrum with three flavors of dynamical staggered quarks from gauge configurations that were generated by the MILC collaboration. We use the Fermilab action for the valence charm quarks. Our calculation of the spin-averaged 1P-1S and 2S-1S splittings yields a determination of the strong coupling, with {alpha}{sub {ovr MS}}(M{sub Z}) = 0.119(4).

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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.

UK PubMed Central (United Kingdom)

Stress exposure increases the risk of addictive drug use in human and animal models of drug addiction by mechanisms that are not completely understood. Mice subjected to repeated forced swim stress...Full Text Available

International Nuclear Information System (INIS)

X-ray emission spectroscopy (XES) and X-ray photoelectron spectroscopy (XPS) methods were employed in the present paper to investigate the electronic structure of face-centred cubic (fcc) molybdenum dioxide, fcc-MoO_2. For the mentioned compound, the XES O K#alpha# and Mo L#beta#_2_,_1_5 bands reflecting the valence O p- and Mo s,d-like states, respectively, were derived and compared on a common energy scale with the XPS valence-band spectrum. For comparison, the similar experimental studies of the electronic structure were made for a usual orthorhombic form of molybdenum trioxide, MoO_3. Band-structure calculations of fcc-MoO_2 were made using the full potential linearized augmented plane wave (FP-LAPW) method. A rather good agreement of the experimental XES and XPS results and the theoretical FP-LAPW data for the electronic properties of fcc-MoO_2 has been achieved in the present paper. A new near-Fermi sub-band was detected on both the XES ...

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption of sulfur-containing amino acids and their derivatives on the surface of graphitized thermal carbon black were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the S atom in amino acids and the graphite C atom were determined. It was shown that an intramolecular H-bond influenced the adsorption of amino acids on the surface of graphitized thermal carbon black.

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An amorphous mesoporous titania-silica aerogel (20 wt%TiO{sub 2} - 80 wt% SiO{sub 2}) and tert.-butylhydroperoxide (TBHP) have been used for the epoxidation of various allylic alcohols. Allylic alcohols possessing an internal double bond were more reactive than those with a terminal C=C bond. Epoxide selectivities could be improved by addition of (basic) zeolite 4 A and NaHCO{sub 3} to the reaction mixture. (orig.)

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Substantial changes in the radial distribution function of amorphous Si films have been observed in neutron-diffraction studies. The spectra indicate changes in short-range order associated with an approx.11% modification in the bond-angle distribution width. The results allow the first direct comparison of structural and vibrational Raman probes of variations in local order in thin-film amorphous solids. Good agreement is obtained between the measured bond-angle variation and that based on Raman estimates.

International Nuclear Information System (INIS)

Four inorganic hydrogen-bonded crystals with second-order nonlinear properties have been discovered: K_4LiH_3(SO_4)_4, Na_2SeO_4#centre dot#H_2SeO_3#centre dot#H_2O, Cs_1_,_5Li_1_,_5H(SO_4)_2 and NH_4HSeO_4. (author)

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The results of Independent Energy's Financial Rankings survey for 1992 as well as the second half of 1992 showed increased activity in almost every category. In stronger showing was evident in all categories except corporate finance and revenue bonds. The total amount of project finance equity and debt, corporate finance and revenue bonds reported in 1992 was nearly $16 billion - up 45% from what was reported in 1991.

International Nuclear Information System (INIS)

The Ni(H_2O)_6 ion is located at an inversion center. Six octahedral water molecules surround the Ni"I"I ion and form hydrogen bonds with the sulfate groups. Each ammonium group binds to the sulfate groups through hydrogen bonds. (orig.).

Science.gov (United States)

Based on our cryogenic FT-IR spectroscopic studies of hydrogen bonds in cholic acid, the two-dimensional FT-IR spectroscopy was applied to enhance our understanding of the hydrogen bonds. Fine spectral structures were revealed by asynchronous 2D FT-IR spectra. The co-relationship among various bands was discussed according to the synchronous 2D FT-IR spectra. .

DEFF Research Database (Denmark)

Using a unique high-frequency futures dataset, we characterize the response of U.S., German and British stock, bond and foreign exchange markets to real-time U.S. macroeconomic news. We find that news produces conditional mean jumps; hence high-frequency stock, bond and exchange rate dynamics are linked to fundamentals. Equity markets, moreover, react differently to news depending on the stage of the business cycle, which explains the low correlation between stock and bond returns when averaged over the cycle. Hence our results qualify earlier work suggesting that bond markets react most strongly to macroeconomic news; in particular, when conditioning on the state of the economy, the equity and foreign exchange markets appear equally responsive. Finally, we also document important contemporaneous links across all markets and countries, even after controlling for the effects of macroeconomic news.

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With an objective to know coal condensation structure which has influence on coal conversion reaction, an attempt was made on quantitative evaluation of hydrogen bonding in coal. Using as test samples the VDC made from Taiheiyo coal swollen by tetralin and vacuum-dried, and its pyrolyzed char, DSC measurement and Fourier transform infrared spectroscopy (FT) were performed. An FT spectrum comparison revealed that the VDC swollen at 220{degree}C has the hydrogen bonding relaxed partly from the original coal. However, since the change is in a huge coal molecular structure restraining space, it has stopped at relaxation of the bonding energy without causing separation as far as free radicals. On the other hand, the DSC curve shows that the VDC has slower endothermic velocity than the original coal. In other words, the difference in heat absorption amounts in both materials is equivalent to the difference of enthalpy ({Delta} H) ...

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Neopentane, because of its unique structural features, was found to be a useful probe for the assay of the acidity of various zeolites. The C-C bond was attacked by catalyst protons yielding CH/sub 4/ and the isobutyl carbenium ion in equal quantities. The latter either decomposed to produce isobutene or underwent secondary reactions. New avenues for reaction were opened with isobutane. The reaction of the Bronsted protons with the tertiary CH bonds produced H/sub 2/ and the same isobutyl carbenium ion. Hydride ion transfer of the same tertiary hydrogen to existing carbenium ions also occurred and the results showed that about half of the reaction was carried by this pathway. As with Neopentane, the C-C bond could also be attacked yielding the sec-propyl carbenium ion. These tools are being further developed.

International Nuclear Information System (INIS)

The relaxations of the Ti(0001) and Zr(0001) surfaces are studied using the plane-wave-basis pseudopotential method within the local-density approximation. We find that the first interlayer spacings of Ti(0001) and Zr(0001) are contracted with respect to the bulk spacings by 6.8% and 6.1%, respectively. Such large relaxations for the close-packed surfaces of Ti and Zr are in good agreement with recent linear-augmented-plane-wave calculations. In addition, we predict a weak vibrational effect on the surface relaxation of Zr(0001) by considering the free energy in the quasiharmonic approximation. This result can be attributed to a very strong bonding between the first- and second-layer Zr atoms as a consequence of the bond-order endash bond-length correlation. copyright 1997 The American Physical Society.

British Library Electronic Table of Contents (United Kingdom)

Rapid nitridation was used to fabricate reaction-bonded and postsintered -Si6-ZAlZOZN8-Z (Z=1) ceramics with monoclinic ZrO2 added to the starting powder. Thermo-gravimetric analysis revealed that the addition of ZrO2 reduced the starting temperature of the main nitridation reaction. Using a reaction-bonding route with heating rates of 5, 10, and 20C/min, to fabricate -SiAlON ceramics without ZrO2 resulted in unreacted silicon that bled out of the specimens and the Z=1 composition samples did not maintain the original green compact morphology. On the other hand, no such bleeding of melted silicon was observed for samples with ZrO2 additions and the samples following nitridation maintained the original green morphology. The microstructure and mechanical properties of samples produced by rap...

Science.gov (United States)

Electron charge distributions are presented for Nb3Ge, Nb3Al, and two hypothetical A-15 structures. Results indicate that the bonding in these materials is mainly metallic in character with some covalentlike bonding between Nb-chain atoms. We find significant coupling between neighboring chains and also between chain atoms and atoms at the cubic site. Comparison is made with various theoretical models. Investigation of the charge character of states near EF suggests further developments in current theories on the structural transformation of A-15 compounds. The effect of chain dimerization on electronic states and charge distribution of Nb3Ge is also investigated.

British Library Electronic Table of Contents (United Kingdom)

Density functional theory calculations were performed to study the effects of different substituents and bridge groups on the heats of formation (HOFs), thermal stability, and detonation properties for a series of diiminotetrazole derivatives. The isodesmic reaction method was employed to calculate the HOFs of the derivatives using total energies obtained from electronic structure calculations. The bond dissociation energies and bond orders for the weakest bonds were analyzed to investigate the thermal stability of the diiminotetrazole derivatives. The detonation velocities and pressures were evaluated by using the semiempirical Kamlet-Jacobs equations, based on the theoretical densities and HOFs. These results provide basic information for the molecular design of novel high-energy density...

International Nuclear Information System (INIS)

Oxide superconducting thin films were irradiated with X-rays and ultra-violet (UV) light, and induced radiation effects on electrical and chemical properties were examined by transport measurement, X-ray diffraction analysis (XRD), diamagnetization measurement and X-ray photoemission spectroscopy (XPS). After irradiation for ErBa_2Cu_3O_x films with X-rays emitted from a Rh tube for 100 hours, superconductivity was remarkably damaged, destroying the zero-resistance state. The UV-light irradiation for Bi_2Sr_2CaCu_2O_x films was performed in He gas of about 500 Pa with a low pressure mercury lamp. The superconductivity was gradually degraded with the UV irradiation time up to 70 minutes. In both cases, adequate oxygen-annealing treatments restored superconductivity. The X-ray photoemission spectra showed that the mean Cu valence of the films was decreased approximately from +2 to +1 by the irradiation. From these results we can find that irradiation with the X-ray ...

International Nuclear Information System (INIS)

Potassium deposition in ultrahigh vacuum on 12-(3-thienyl)dodecanethiol monolayers assembled on gold surfaces has been investigated using X-ray and ultraviolet photoelectron spectroscopies (XPS and UPS). Angle-resolved XPS indicates that initially deposited potassium penetrates the self-assembled monolayer (SAM) and diffuses to the SAM/Au interface. Even after large metal doses, the presence of thiophene ring valence electronic states in the UPS spectra confirms that most of the thiophene rings (at the SAM/vacuum interface) are not covered by potassium. The binding energy shifts of the thiophene ring valence states and the C1s and thiophene S2p peaks, referenced to the Fermi level, are due to the work function changes of the gold substrate. This indicates that these electronic states are pinned to the vacuum level, in contrast to the thiolate S2p orbital, which is pinned to the Fermi level. For large potassium doses, the appearance of new ...

Science.gov (United States)

Charge flow and valence/d-band behavior in ion-beam-mixed (IBM) Pd1-xAgx (x = 0.5-0.9) alloys have been studied by X-ray photoemission measurement of the valence bands and of core-level binding energy shifts and X-ray absorption near-edge structure. We correlated the observed Ag 3d5/2 core-level shifts in these IBM alloys, relative to the elemental Ag, with the White Line area changes at the Pd and Ag L3-edge to investigate the charge redistribution at the Ag site. The results indicate that there is a decrease in sp-like conduction electron and a negligible change in the number of d-electrons at the Ag site upon alloying. These results are in line with our previous results in which Pd gains d-charges and loses sp-type charges. This electron redistribution due to hybridization in the alloy leads small net charge transfer from the Ag site to the Pd site in accordance with electronegativity predictions. This result is consistent with the result of ...

Energy Technology Data Exchange (ETDEWEB)

The isomeric and {beta}-decay properties of neutron-rich {sup 53-57}Sc and {sup 53,54}Ca nuclei near neutron number N = 32 are reported, and the low-energy level schemes of {sup 53,54,56}Sc and {sup 53-57}Ti are presented. The low-energy level structures of the {sub 21}Sc isotopes are discussed in terms of the coupling of the valence 1f{sub 7/2} proton to states in the corresponding {sub 20}Ca cores. Implications with respect to the robustness of the N = 32 subshell closure are discussed, as well as the repercussions for a possible N = 34 subshell closure.

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The purpose of this study is fabrication and characterization of silver nanofluid by the submerged arc nanoparticle synthesis system (SANSS). The silver metal electrodes under the electrical discharge will melt and evaporate rapidly and condense to form the nanoparticles in the lower temperature dielectric liquid and produce the suspended nanoparticle. The results showed that the spherical nanosilver particle formed in the ethylene glycol and the mean particle size is about 12.5 nm. The prepared silver nanofluid was irradiated under the 410 nm visible light, electrons could be excited from the valence band to the conduction band. The silver nanofluid more closely resembles Newtonian fluids.

International Nuclear Information System (INIS)

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

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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.

Science.gov (United States)

We calculate the electromagnetic form factors of a bound proton. The chiral quark-soliton model provides the quark and antiquark substructure of the proton, which is embedded in nuclear matter. This procedure yields significant modifications of the form factors in the nuclear environment. The sea quarks are almost completely unaffected, and serve to mitigate the valence quark effect. In particular, the ratio of the isoscalar electric to the isovector magnetic form factor decreases by 20% at Q{sup 2}=1 GeV{sup 2} at nuclear density, and we do not see a strong enhancement of the magnetic moment.

International Nuclear Information System (INIS)

Chemical effects of L X-ray intensity ratios in niobium and molybdenum compounds were studied by electron and proton bombardments. L_#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_#gamma#_1/L_#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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K{beta}-to-K{alpha} X-ray intensity ratios of Ti, Cr, Fe and Co in pure metals and in Cr{sub 0.26}Fe{sub 0.74}, Cr{sub 0.80}Co{sub 0.20} and Ti{sub 0.80}Cr{sub 0.20} alloys have been measured following excitation by 59.54 keV {gamma}-rays from a 7400 MBq (200 mCi) {sup 241}Am point-source. The valence electronic structure of Ti, Cr, Fe and Co in the samples have been evaluated by the comparison of the measured K{beta}-to-K{alpha} intensity ratios with the results of multiconfiguration Dirac-Fock calculations performed for various electronic configurations of these metals. The 3d-electron populations obtained for pure metallic Ti, Cr, Fe and Co agree well with the results of band structure calculations of Papaconstantopoulos (Handbook of band structure of elemental solids, Plenum Press, New York, 1986). Our analysis indicates significant increase of 3d-electron population of Ti, Cr and Fe in the alloys with respect to the pure metals, except for Cr in Cr{sub ...

International Nuclear Information System (INIS)

K#beta#-to-K#alpha# x-ray intensity ratios of Fe and Ni in pure metals and in Fe_xNi_1_-_x alloys (x=0.20, 0.50, 0.58) exhibiting similar crystalline structure have been measured following excitation by 59.54 keV #gamma# rays from a 200 mCi "2"4"1Am point source to understand why the properties of the Fe_xNi_1_-_x (x=0.2) alloy are distinct from other alloy compositions. The valence electronic structure of Fe and Ni in the samples has been evaluated by comparing the measured K#beta#-to-K#alpha# intensity ratios with the results of multiconfiguration Dirac-Fock calculations. Significant changes in the 3d electron population (with respect to the pure metal) are observed for Fe and Ni for certain alloy compositions. These changes can be explained by assuming rearrangement of electrons between 3d and (4s,4p) band states of the individual metal atoms. It has been found that the valence electronic structure of the Fe_0_._2Ni_0_._8 alloy is totally ...

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Donnan dialysis with ion-exchange membranes was studied under various kinds of experimental conditions using ions of different valences. The diffusion coefficients (D{sub d}) of various kinds of ions in the ion-exchange membrane were obtained by curve fitting an equation derived from the mass balance to three kinds of Donnan dialytic experiments. It was found that the value of D{sub d}/D{sub s} using D{sub d} of monovalent ions in Donnan dialysis with a set of monovalent feed ions and bivalent driving ions was 1/175, where D{sub s} represents a diffusion coefficient in solution. D{sub s} was calculated from the Nernst-Einstein equation substituted by the ionic conductance of ions at infinite dilution in water. Using D{sub d} of bivalent ions in Donnan dialysis with the same set led to a D{sub d}/D{sub s} value of 1/438. Moreover, using D{sub d} in Donnan dialysis with the same set, the value of D{sub d}/D{sub e} was kept constant at 0.4 (D{sub e} expresses the ...

UK PubMed Central (United Kingdom)

Unlike most mammalian species, the prairie vole is highly affiliative, forms enduring social bonds between mates, and displays biparental behavior. Over two decades of research in this species...Full Text Available

Science.gov (United States)

... 2-37 2.3.1.5.4 Imperfect Bonding of Die ..... 2-37 2.3.1.5.5 "Purple Plague" .... 2-37 2.3.1.5.6 Tool Damage ..... 2-37 ...

UK PubMed Central (United Kingdom)

Photosynthetic antenna complexes capture and concentrate solar radiation by transferring the excitation to the reaction center that stores energy from the photon in chemical bonds. This process occurs...Full Text Available

UK PubMed Central (United Kingdom)

Membrane cofactor protein (MCP or gp45-70) of the complement system is a cofactor for factor I-mediated cleavage of fluid-phase C3b and C3b-like C3, which opens the thioester bond. In the present study...Full Text Available

Science.gov (United States)

An inner surface substrate of metal tubes is provided with a single layer of randomly distributed metal bodies bonded to the substrate, spaced from each other, and substantially surrounded by the substrate to form body void space.

UK PubMed Central (United Kingdom)

Recent evidence suggests a role for corticotropin-releasing factor (CRF) in the regulation of pair bonding in prairie voles. We have previously shown that monogamous and non-monogamous vole...Full Text Available

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No abstract prepared.

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Research activity during the 1991--1992 funding period has been concerned with the following topics relevant to carbon monoxide activation. (1) Exploratory studies of water gas shift catalysts heterogenized on polystyrene based polymers. (2) Mechanistic investigation of the nucleophilic activation of CO in metal carbonyl clusters. (3) Application of fast reaction techniques to prepare and to investigate reactive organometallic intermediates relevant to the activation of hydrocarbons toward carbonylation and to the formation of carbon-carbon bonds via the migratory insertion of CO into metal alkyl bonds.

British Library Electronic Table of Contents (United Kingdom)

The natural clayey soils are usually structural and unsaturated, which makes their mechanical properties quite different from the remolded saturated soils. A structural constitutive model is proposed to simulate the bonding-breakage micro-mechanism. In this model, the unsaturated soil element is divided into a cementation element and a friction element according to the binary medium theory, and the stress-strain coordination for these two elements is obtained. The cementation element is regarded as elastic, whereas the friction element is regarded as elastoplastic which can be described with the Gallipoli?s model. The theoretical formulation is verified with the comparative experiments of isotropic compressions on the saturated and unsaturated structural soils. Parametric analyses of the e...

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Applying the thermochemical selectivity criterion of Hadnett et al. It is shown that the selectivity of the furan formation is not limited by a too low strength of the C-H bonds in furan when compared with the C-H bond dissociation energy in the educt molecule butadiene. In the oxidation of butadiene on a CsH{sub 2}PMo{sub 12}O{sub 40} catalyst a maximum yield of 22 mol% furan has been obtained. To improve this comparatively low furan yield oxidation activity of the catalyst must be lowered to prevent the consecutive reaction to maleic anhydride. (orig.)

British Library Electronic Table of Contents (United Kingdom)

The review covers the development within the field of cleavable surfactants since 2003. Cleavable surfactants are amphiphiles in which a weak linkage has been deliberately inserted, normally, but not always, between the hydrophobic tail and the polar headgroup. Alkali labile linkages that have been used for the purpose include normal ester bonds, betaine esters, and carbonates. Ketals and ortho esters are example of bonds that are susceptible to acid hydrolysis. Several investigations deal with cationic ester-containing surfactants, both monomeric and dimeric species, the latter being gemini surfactants. Ester, amide and carbonate containing surfactants have been investigated with respect to enzyme catalyzed hydrolysis. The main incentive for the development of novel cleavable surfactants ...

International Nuclear Information System (INIS)

A new potential function based on spectroscopic results for diatomic molecules is presented and applied to the hydrogen bonding systems. The potential energy of interaction is supposed to have electrostatic, polarization, dispersion, repulsion and effective charge-transfer contributions. Estimates of the effective charge-transfer quantity have been made based on the average charge of the proton donor and the acceptor atoms. For dimers such as water, methanol, acetic acid and formic acid, the vibrational stretching frequencies and dimerization energies are calculated and discussed in connection with Badger-Bauer rule. (author).

Science.gov (United States)

... MAGMA © : A LIQUID SOFTWARE APPROACH TO FAULT TOLERANCE, COMPUTER NETWORK SECURITY, AND SURVIVABLE NETWORKING ...

Energy Technology Data Exchange (ETDEWEB)

The ERICAM model (Environmental Risk Internalization through Capital Markets) includes the capital markets as a source contributing to the coverage of risks due to nuclear activites, thus enhancing the effectiveness and functions of the nuclear liability law. The model proposed will allow higher amounts for compensation and will increase financial security, flow of information, and efficient use of resources. The implementation of the model can be achieved on the financing side by issuing Nuke bonds, linking accident-specific options to government bonds. This will essentially increase the risk coverage compared to present means, and will be a pin-pointed addition to the existing layer system. There are three institutions proposed to act as mediators in the implementation of the model: A government authority to supervise the trade in Nuke bonds. Risk-bearing associations in oder to enhance the model`s efficiency, and to ...

Energy Technology Data Exchange (ETDEWEB)

We have demonstrated in this work (1) that methane is readily activated at mild conditions (100[degree]C, 1 torr) over a relatively noble metal, Pd. This was observed using a stepped and kinked Pd(679) crystal (1), and other crystal faces are now being investigated to establish whether the cracking of the C-H bond of methane on Pd is structure sensitive or structure insensitive. Oxygen chemisorption is extremely structure sensitive: weakly bonded, highly reactive oxygen overlayers form on Pd(100) surface (2), while strongly bonded, moderately reactive oxygen overlayers form on Pd(111) and Pd(679). Reaction of the weakly bonded oxygen with surface carbide gives rise to CO[sub 2] over clean Pd(100) but to CO over halogen-doped Pd(100) (3--5). The effect of halogens is primarily ensemble-controlling, or oxygen-supply restricting, but long range influence of surface Cl on the strength of the Pd-O ...

Energy Technology Data Exchange (ETDEWEB)

Anisotropic Nd{endash}Fe{endash}B magnet powders can be produced by the hydrogenationdecomposition-desorption-recombination (HDDR) process from Nd{endash}Fe@ xnB{endash}Co{endash}M ({ital M}=Ga, Zr, Nb, Hf, and Ta) alloys. The present status of those HDDR powders and the bonded magnets made from them are reviewed with regards to the powder particle size dependence of their magnetic properties, their magnetic thermal stability, and their magnetization behavior. The results of a mechanistic study on the recombination step are also presented. The magnetic properties of the anisotropic HDDR powder depend relatively little on the powder particle size. Bonded magnets with a density of {approximately}6.20 g/cm{sup 3} and a BH{sub max} of 18.5{endash}20.5 MGOe can be produced from anisotropic HDDR powders with particle sizes of below 300 {mu}m diam. The temperature coefficient of the intrinsic coercive force {sub {ital iH}}{sub {ital c}}, of the ...

British Library Electronic Table of Contents (United Kingdom)

The investigation of strongly sintered ''quasi molten'' CuS and CuSe chalcogenides shows that they exhibit a sharp diamagnetic transition and a resistivity drop around 40 K. The reminiscence of such high temperature superconductivity features, never observed to date for these phases, is strongly supported by two chemical characteristics: bidimensionality of the structure and mixed valency of copper. The absence of zero resistance suggests that the internal chemical pressure in the samples has a key role in the existence of superconductivity: the S-S or Se-Se interlayer distances are very sensitive to the pressure, so that the critical distance for the percolation can be reached in the core of the samples, but not at the vicinity of the surface, where relaxation may appear.

International Nuclear Information System (INIS)

The linearized collective Schroedinger equation for nuclear quadrupole surface vibrations incorporates a new spin degree of freeedom with a spin value of 3/2. We use this equation to describe the low energy spectrum of certain even-odd Ir nuclei which have a spin 3/2 in their ground state. For that purpose we explicitly introduce collective spin-dependent potentials which simulate the interaction of the valence nucleon with the core. The linearized Schroedinger equation is transformed into an effective Schroedinger equation with collective spin-dependent potentials. Already collective spin-orbit couplings of SO(3) and SO(5) type are sufficient to reproduce the lowest excited states of even-odd Ir nuclei. (orig.).

International Nuclear Information System (INIS)

The neutron-rich Mn isotopes from A=59 to 63 have been studied through multi-nucleon transfer reactions by bombarding a "2"3"8U target with a beam of "7"0Zn at an energy of E_l_a_b=460 MeV. Prompt #gamma# rays measured by the CLARA array have been identified unambiguously for each nucleus, using coincidence relationships with ions detected in the high-acceptance magnetic spectrometer PRISMA. The new data extends the knowledge of the low-lying level structure of Mn isotopes, which is discussed in terms of the systematics of the region. Results are compared with large-scale shell-model calculations using different effective interactions and valence spaces.

Energy Technology Data Exchange (ETDEWEB)

We have performed polarized neutron diffraction measurements on the intermediate valence compound CePd{sub 3} using the D3 spectrometer at the ILL. The results show that at low temperatures, 1.7 K, as well as at 100 K, the field-induced magnetic amplitudes measured in a field of 4.6 T could be interpreted in terms of two contributions: a 4f-type contribution with a Ce{sup 3+} form factor, and an extra delocalized contribution (relatively narrow in q-extent). In particular, we find that the values of the 4f moment deduced from the extrapolation of the neutron data to Q=0 are systematically lower than the values deduced from bulk magnetization measurements performed on the same sample. This difference can be ascribed to a possible positive polarization of the conduction band which is similar at both temperatures.

Energy Technology Data Exchange (ETDEWEB)

Single stage separation factors ..cap alpha.. have been determined for /sup 6/Li and /sup 7/Li between lithium ions in methanol and complexed ions with a cryptand (2 sub(B), 2, 1) polymer. The /sup 6/Li was concentrated in the cryptand. The separation factors were compared with the values of other chemical exchange systems. The maximum enrichment factor obtained was epsilon = 0.047 +- 0.002. The figure is one of the greatest in the chemical exchange reactions without valence change and almost 10 times larger than the values of ion exchangers. The variation in ..cap alpha.. depending on the chemical species was small in the non-aqueous system. High enrichment of lithium isotopes was expected to be achievable by means of the chromatographic application of the cryptand (2 sub(B), 2, 1).

Energy Technology Data Exchange (ETDEWEB)

During the recrystallization by solid-phase-epitaxial (SPE) growth of supersaturated silicon alloys, a high concentration of interstitials is trapped. These are released by subsequent heating causing a transient (greatly enhanced) diffusion of the substitutional dopant by an interstitialcy mechanism. The enhancement may be as much as five orders of magnitude over tracer values, and shows an activation energy of only 1.8 +- 0.2 eV. Following the transient, the interstitials condense into loops, allowing an independent estimate to be made of their concentration. From these observations, we propose that during ion implantation, a fraction of the implanted dopants can acquire their natural valency, and retain it as the crystallization interface passes. For group V dopants this creates the trapped interstitials, giving transient enhanced diffusion when they are released by subsequent annealing.

International Nuclear Information System (INIS)

We have calculated the electronic structure of Eu for the bcc, hcp, and fcc crystal structures for volumes near equilibrium up to a calculated 90 GPa pressure using the augmented-plane-wave method in the local-density approximation. The frozen-core approximation was used with a semi-empirical shift of the f-states energies in the radial Schroedinger equation to move the occupied 4f valence states below the #GAMMA#_1 energy and into the core. This shift of the highly localized f-states yields the correct europium phase ordering with lattice parameters and bulk moduli in good agreement with experimental data. The calculated superconductivity properties under pressure for the bcc and hcp structures are also found to agree with and follow a T_c trend similar to recent measurement by Debessai et al.

International Nuclear Information System (INIS)

The compounds CePdSi_2, CeIrSi_2 and CeRhSn_2 have been synthesized and studied by X-ray diffraction, electrical resistivity and magnetic susceptibility. The magnetic susceptibility of CePdSi_2 exhibits two peaks at 6.8 K and 2.5 K, respectively, indicating two antiferromagnetic phase transitions, while that of CeIrSi_2 shows a broad maximum at 150 K, characteristic of valence fluctuating Ce-compounds. CeRhSn_2 remains paramagnetic down to 5 K. The resistivity of CeIrSi_2 exhibits a T"2 dependence at low temperatures, indicating a Fermi-liquid ground state, while those of CePdSi_2 and CeRhSn_2 shows the presence of Kondo and crystal field effects. (orig.).

International Nuclear Information System (INIS)

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

Energy Technology Data Exchange (ETDEWEB)

Urea-formaldehyde resin bonded particle board, medium density fiberboard and plywood paneling are used as flooring, wall paneling, for cabinet work and in furniture, and are present in almost every office, home and public building. If large quantities of these products are used in poorly ventilated spaces, high manufacturing quality control is necessary to avoid problems of latent formaldehyde release. Indoor air formaldehyde concentrations depend on the nature of the product, the product surface to air volume (loading) factor, temperature, humidity, age and product emission rates. Standard test methods are now available for measuring product emission rates that make it possible to predict the performance of UF-bonded pressed wood materials if use conditions and environmental parameters are known. Recent modifications in adhesive and board manufacturing parameters have made it possible to reduce formaldehyde emission significantly, and ...

Energy Technology Data Exchange (ETDEWEB)

The IR double-resonance techniques IR/R2PI (infrared/resonant 2-photon ionization), IR/PIRI (infrared-photo-induced Rydberg ionization) and IR-photodissociation spectroscopy are valuable tools to investigate structure, vibrations, and dynamical processes of neutral and ionic hydrogen-bonded clusters containing aromatic molecules. In this paper we report on the application of the IR double-resonance techniques to determine the NH and OH stretching vibrations of 4-aminophenol and 4-aminophenol(H{sub 2}O){sub 1}, both in the neutral (S{sub 0}) and ionic (D{sub 0}) ground state. All vibrational frequencies obtained for 4-aminophenol and the cluster are compared with the values obtained from ab initio and DFT calculations. In the S{sub 0} state, a trans-linear arrangement of 4-aminophenol(H{sub 2}O){sub 1} is obtained containing an O-H. O hydrogen bond. In the D{sub 0} state an overlay of two spectra can be observed resulting from the trans-linear ...

Energy Technology Data Exchange (ETDEWEB)

A carbon-bonded carbon fiber (CBCF) insulation developed for a radioisotope heat source is made from chopped rayon fiber about 10..mu..m long, which is carbonized and bonded with phenolic resin particles. The CBCF is an excellent lightweight insulating material with a nominal density of 0.2 Mg/m/sup 3/ and a thermal conductivity of 0.24 W/(m-K) in vacuum at 2000/sup 0/C. (Several attributes that make CBCF particularly suitable for the heat source application have been identified.) These include light weight, low thermal conductivity, chemical compatibility, and hightemperature capabilities. The mechanical strength of CBCF insulation is satisfactory for the application. The basic fabrication technique was refined to eliminate undesirable large pores and cracks often present in materials fabricated by earlier techniques. Also, processing was scaled up to increase the fabrication rate by a factor of 10. The specific properties of the CBCF were ...

Energy Technology Data Exchange (ETDEWEB)

A general calculation method for the analysis of transmission capability of a long-distance single-core ac submarine cable system is presented. The method is based on modal transformation of voltages and currents in multiconductor cable systems. Using this method, numerical calculations on 500 kV submarine cable systems have been performed with particular reference to the effect of the distance between bonds connecting metallic sheath, outer conductor and armor on the transmission capacity of the system. It was clarified that the transmission capacity of the system increased with decreasing bond intervals. Examination of the current distributions between various conductors along the length showed that this increase of transmission capacity was mainly due to the dispersion of the charging current into the metallic sheath, outer conductor and armoring at the bonding points. Analytical results for the transmission capacities ...

Energy Technology Data Exchange (ETDEWEB)

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

British Library Electronic Table of Contents (United Kingdom)

A new cis-dioxomolybdenum complex MoO2(DMLA)2 (DMLA=N,N-dimethyllactamide) has been synthesized and characterized by X-ray crystallography, H NMR and IR spectroscopies and electronic structure calculations at DFT/B3LYP level. This compound (chemical formula C10H20MoO6N2) crystallizes in the orthorhombic space group P212121 with Z=4, a=6.9357(2)?, b=11.8761(4)?, c=17.7251(5), V=1460.00(8)?3 and renders a slightly distorted octahedral structure with two long Mo-O bonds (2.253(3)? and 2.257(3)?) trans to each of the MoO groups and with two short Mo-O bonds of 1.942(3)4? cis to them. The MoO bond length are 1.715(3) and 1.704(3)?). Each lactamide ligand is bidentate; they are coordinated in their deprotonated form with the carbonyl oxygen occupy...

Science.gov (United States)

Elastically deforming thin glass (thickness = 0.13 to 0.80 mm) provides an alternate method of forming a curved glass reflector which can eliminate some of the disadvantages of thicker glass. A concept is described where silvered thin glass is bonded to a steel backing to form a laminate with a reflectance greater than 93%. Subsequent bending of the flat reflector laminate to a concentrating profile produces compressive stresses throughout the glass if the laminate is properly designed. These compressive stresses enhance fracture resistance and the lamination provides protection for the silver. The design of the laminate is outlined for 0.25 and 0.51 mm thickness glass and fabrication procedures are discussed. Thermal/humidity cycling, hail impact, bond strength measurements and reflectance results are presented which demonstrate the performance capabilities of this reflector laminate concept.

Energy Technology Data Exchange (ETDEWEB)

In this work it is made a study of the structure and electric properties of chlorate polyethylene (PE-CI) with double and simple bonds obtained by continuous plasma with resistive coupling to 13.5 MHz. The synthesis conditions are power between 10 and 14 W and pressure of (6-7) x 10{sup -2} Torr. The synthesized PE-Cl in that way is soluble in acetone what indicates that probably is formed of short chains and not it shows the generalized inter crossing that is presented in some syntheses by plasma and that it can degrade the electric properties of these polymers. The IR and XPS analysis show the vibration of the C-C, C=C and C-CI bonds. The morphology of the polymer after being dissolved shows a compact and flat configuration. The electric conductivity has an approximately lineal behavior in an interval of 35 to 90% of relative humidity. (Author)

British Library Electronic Table of Contents (United Kingdom)

A cyclic hexapeptide, annomuricatin A (the molecular formula: C27H38N6O7), was isolated from the seeds of Annona muricata. The types and sequence of the amino acids were confirmed by X-ray diffraction analysis. The stereochemistry of the title cyclopeptide was clarified by X-ray crystallographic study. The backbone contains two b-turns, one is type I b-turn and the other is type II, which are stabilized by two transannular 41 backbone hydrogen bonds between Ala and Phe. There are intermolecular hydrogen bonds between the cyclopeptide and the solvent molecules which maintained the steady spatial arrangement in crystal.

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.

British Library Electronic Table of Contents (United Kingdom)

Abstract Melamine cyanurate (MCA) was utilized as an environmental friendly additive to prepare the nonhalogen flame retardant MCA/Nylon 66 composites by melt blending technique. Because of the strong hydrogen bond interactions and fine interfacial compatibility between MCA and Nylon 66, the resultant even dispersion of MCA filler in polymer matrix leads to the better toughness and strength of MCA/Nylon 66 composites than those of neat Nylon 66. Both Nylon 66 and MCA/Nylon 66 composites exhibit similar -crystalline structure, but the presence of MCA influences the distribution of 1 and 2 crystalline phases in Nylon 66 by inducing its hydrogen-bonded sheet separation. Moreover, the blending of MCA and Nylon 66 increases the crystallization temperature and exothermicity but decreases the the...

Energy Technology Data Exchange (ETDEWEB)

The EXAFS spectra of the platinum(III) complexes Pt/sub 4/(OAc)/sub 10/(OH)/sub 2/ (I) and Pt/sub 4/ (OAc)/sub 4/(OH)/sub 8/(H/sub 2/O)/sub 2/ (II) have been investigated. It has been found by a curve-fitting method and with the aid of Fourier transformations that the shortest Pt-Pt distances are 2.61 A in complex I and 2.36 and 2.6 A in II. The values of the bond lengths obtained are consistent with the molecular structures proposed for complexes I and II, which contain skeletons of four platinum atoms in the form of a square or a rectangle, as well as with the known literature data on the lengths of Pt-Pt bonds in Pt(III) complexes.

International Nuclear Information System (INIS)

In the frame of the Primary Wall Module prototype manufacturing for ITER, a consistent R and D phase was conducted in order to identify the industrial allowable tolerances and manufacturing problems which would occur when joining pieces by HIPping process during the PW module manufacturing. The purpose of this development was to give as industrial as possible manufacturing routes for joining together large Stainless Steel or DS-Copper pieces with Stainless Steel tubes and for bonding Beryllium tiles onto a curved component surface. The study concerned surface preparations, allowable gaps and joint geometry, Beryllium tile geometry, Titanium interlayer thickness, etc. This R and D phase also allowed the development and validation of different ultrasonic inspection tools needed for plate-plate, tube-plate, edge to edge plate bonding.

British Library Electronic Table of Contents (United Kingdom)

Ceramic coatings with high emission were fabricated on Ti6Al4V alloy by microarc oxidation (MAO) with additive FeSO4 into the electrolyte. The microstructure, chemical composition and chemical state of the coatings were determined by SEM, XRD, EDS and XPS, respectively. The bonding strength between the coating and substrate was studied by tensile strength test, together with the thermal shock resistance of the coating. The results showed that Fe content in the coating layer significantly affect its thermal emissivity. The relative content of Fe in the coatings surface increased at first and then decreased with increasing the concentration of FeSO4 in electrolytes, so does the emissivity of the coatings. The bonding strength became weaker with increasing the concentration of FeSO4. In addit...

Energy Technology Data Exchange (ETDEWEB)

This paper presents experimental data and an computational model of the cold spray solid particle impact process. Copper particles impacting onto a polished stainless steel substrate are examined. The high velocity impact causes significant plastic deformation of both the particle and the sub- strate, but no melting is observed. The plastic deformation exposes clean surfaces that, under the high impact pressures, result in significant bond strengths between the particle and substrate. Experimental measurements of the splat and crater sizes compare well with the numerical calculations. It is shown that the crater depth is significant and increases with impact velocity. However, the splat diameter is much less sensitive to the impact velocity. It is also shown that the geometric lengths of the splat and crater scale linearly with the diameter of the impacting particle. It is hoped that the results presented will allow better understanding of the ...

International Nuclear Information System (INIS)

The coherent flucton model is applied to the description of some basic nuclear properties, such as: ground state energies, bond energies, nucleon momentum spectra, and nuclear density distributions. It is shown that the momentum distributions of the nucleons coincide with the Fermi distribution for small momenta and exhibit a well pronounced high energy ''tail'', thus providing inclusive reactions of pi-meson generations in kinematically forbidden areas at nucleon-nucleon collisions. Analytical expressions for the bond energy and nuclear density distribution are derived. An agreement with the experimentally obtained data is achieved. The model features are discussed referring to the processes, characterized mainly by the geometric and dynamic properties of the nuclei, as well as by nuclear density distribution. In particular, ion-ion scattering processes at high energy are considered.

British Library Electronic Table of Contents (United Kingdom)

A constitutive model for an explosive consists of three parts: equation of state of reactants, equation of state of products, and reaction rate. In the absence of a good physical theory, models are empirical and based on heuristics. For the HMX based plastic-bonded explosive PBX 9501, three models have previously been calibrated and used in numerical simulations. Here, these three models are compared. They illustrate several generic difficulties with developing and validating models. The available data is insufficient to determine a constitutive model uniquely. Different models can be calibrated to fit the available data yet differ significantly in regions of phase space of importance to applications. Comparing models gives an indication of the uncertainty in model predictions outside the ...

UK PubMed Central (United Kingdom)

BackgroundThe endoscopic endonasal transsphenoidal approach (EETA) to the pituitary is performed by ear, nose, and throat (ENT) surgeons in collaboration with neurosurgeons but also...Full Text Available

Science.gov (United States)

Sep 1, 2011 ... Estimating Travel Cost Model: Spatial Approach. In: Annual Meetings of the American Agricultural Economics Association. ...

UK PubMed Central (United Kingdom)

Chinese and Chumash traditional medical approaches are similar in terms of disease causation, use of acupuncture or healing touch, plants, spiritual and philosophical approaches. This article provides...Full Text Available

Energy Technology Data Exchange (ETDEWEB)

Crystalline {alpha}-Fe{sub 2}O{sub 3} powder was prepared by the mechanical milling of crystalline {alpha}-FeOOH at room temperature in air. This result means that crystalline {alpha}-FeOOH is dehydrated by mechanical milling at room temperature. The obtained {alpha}-Fe{sub 2}O{sub 3} powder worked as a rechargeable electrode material in lithium ion conductive organic electrolytes. The electrodes exhibited high discharge capacities of over 1000mAhg{sup -1} corresponding to 6 Li per {alpha}-Fe{sub 2}O{sub 3} at potentials ranging from the open circuit potential to 0.5V (versus Li{sup +}/Li) in the first discharging (lithium insertion) process. This suggests that the valence deviation from Fe{sup 3+} in {alpha}-Fe{sub 2}O{sub 3} to Fe{sup 0} may be caused by electrochemical reduction. In contrast, after the first discharge, the electrodes exhibited high charge capacities of more than 700mAhg{sup -1} corresponding to 4.2 Li per {alpha}-Fe{sub 2}O{sub 3} in the first ...

Energy Technology Data Exchange (ETDEWEB)

We examined a catalytic effect of niobium oxide (Nb{sub 2}O{sub 5}) on the hydrogen storage properties of MgH{sub 2} prepared by mechanical ball milling method. The MgH{sub 2} composite doped with 1 mol% Nb{sub 2}O{sub 5} by ball milling for 20 h desorbed hydrogen up to {approx}6 mass% in the temperature range from 200 to 250 {sup o}C at the heating rate of 5 {sup o}C/min under a purified helium flow. After dehydrogenation at 200 {sup o}C, the product showed remarkable hydrogen absorption kinetics. A large amount of gaseous hydrogen up to {approx}4.5 mass% was absorbed even at room temperature under 1 MPa hydrogen pressure within 15 s and finally its capacity reached up to 5 mass%. Furthermore, the valence state of Nb{sub 2}O{sub 5} doped in MgH{sub 2} was examined by X-ray absorption near edge structure (XANES) measurement. The results indicated that additive Nb{sub 2}O{sub 5} was reduced by MgH{sub 2} during mechanical milling. This suggests that the Nb compound, ...

Energy Technology Data Exchange (ETDEWEB)

Raman scattering was observed from thin film optical waveguides of cellulose acetate exposed to water vapor from 0% to 100% relative humidity (RH), and from dilute solutions of water in methyl acetate. Spectra of cellulose acetate (CA398, 39.8% acetyl) at low RH and cellulose triacetate (CTA) at low and high RH are consistent with the presence of water monomers that are weakly hydrogen bonded to acetyl C=O groups. Differences between the spectra of water in CA398 and CTA at low RH are attributed to sequential hydrogen bonding involving OH groups in CA398. At high RH, CA398 and CTA (to a lesser extent) show bands attributed to water/water interactions that are similar to those found in sequentially hydrogen-bonded hydrates. CA398 films that are annealed at high temperatures exhibit decreased water/water interactions at high RH. Exposure of CA398 films to D/sub 2/O converts > 90% of all polymer OH groups to OD groups. This ...

Energy Technology Data Exchange (ETDEWEB)

Although silicosis has been studied extensively, the mechanism is still not fully understood. Experiments do provide evidence that the actions of unique properties of silica surface on the cell membrane are the starting point of silicotic processes. This paper summarizes literature on chemical properties of silica surface, and the effect of particle size on silica toxicity. This paper also discusses the ways in which silica dusts are though to interact with the cell membrane, with emphasis on freshness, hydrogen bonding, and free-radical interactions.

Energy Technology Data Exchange (ETDEWEB)

Attempts to synthesize YPd[sub 2]Si-type representatives LnPd[sub 2]Al were successful only with Ln triple bond Ce, Pr, Nd. This orthorhombic structure (oP16; space group Pnma) is an ordered variant of the Fe[sub 3]C type. Only NdPd[sub 2]Al undergoes magnetic ordering above 2 K. (orig.)

International Nuclear Information System (INIS)

Sorption of oxidized and reduced forms of molybdosilicic, molybdophosphoric and molybdovanadophosphoric acids by polyurethane foam based on ethers and esters is studied. On the basis of sorption dependence on solution pH, polyurethane foam type and spectral characteristics of sorbates the suggestion has been made that in the polyurethane foam phase there are two main types of sorbent-sorbate interaction: electrostatic (ion-ion) and with hydrogen bond formation: and it is impossible to determine the contribution of every interaction

Energy Technology Data Exchange (ETDEWEB)

We have measured the oxygen positions in LaNiO{sub 3} films to elucidate the coupling between epitaxial strain and oxygen octahedral rotations. The oxygen positions are determined by comparing the measured and calculated intensities of half-order Bragg peaks, arising from the octahedral rotations. Combining ab initio density-functional calculations with these experimental results, we show how strain systematically modifies both bond angles and lengths in this functional perovskite oxide.

International Nuclear Information System (INIS)

The existence of a narrow peak of electron state density in A-15 is explained by a strong electron-phonon interaction that brings about the polaron narrowing of zone. In the supposition of weak and intermediate bond, the analytical expression for the critical transition temperature is found that corre lates Tsub(c) with phonon spectrum. The model permits to explain Tsub(c) correlation with the number of electrons per atom, temperature direction of resistance, value and temperature dependence of magnetic susceptibility and electron tehrmal capacity.

UK PubMed Central (United Kingdom)

During protein synthesis, aminoacyl-tRNA (aa-tRNA) and release factors 1 and 2 (RF1 and RF2) have to bind at the catalytic center of the ribosome on the 50S subunit where they take part in peptide bond...Full Text Available

International Nuclear Information System (INIS)

Large, complex, high purity ceramic shapes are required by a variety of emerging technologies for their electrical insulation and high temperature strength properties coupled with their refractoriness and purity. Ceramic sealant bonding, using crystalline and vitreous sealant materials, has recently shown significant potential for joining technical ceramics to form the required shapes. Materials and techniques for joining technical ceramics including alumina, magnesia, zirconia and thoria are discussed. (orig.).

Energy Technology Data Exchange (ETDEWEB)

Air Force Prototype Thermal Flash Protective Device (TFPD) Goggles were furnished to USAFSAM by the Life Support System Program Office, Aeronautical Systems Division, for determination and evaluation of their eye-type goggles caused stressed areas. The bonding used in the production model eliminated the stressed areas, resulting in increased closed-state optical density, particularly in the upper nasal area of the lens.

Energy Technology Data Exchange (ETDEWEB)

The authors synthesized a number of esters of stearic acid with polyhydric alcohols and ran comparative tests on aliphatic alcohols to determine their effects on the antiwear properties of the fuel. They conclude that the differences in effectiveness in improving the lubricity by the use of aliphatic alcohols and the full and partial esters of polyhydric alcohols and stearic acid can be explained by the presence of hydroxyl and ester groups close to each other in partial esters. This is reflected in the higher polarity of the partial esters, a higher rate of adsorption, and a stronger bonding of the adsorbed layer to the metal surface.

Science.gov (United States)

Henry constants for the adsorption of o- and p-phenylenediamines on the surface of graphitized thermal carbon black within the temperature range 433-479 K were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the nitrogen atom in aniline and isomeric phenylenediamines and the carbon atom of the basal face of graphite were determined. It was shown that an intramolecular H bond influenced the geometry and adsorption properties of o-phenylenediamine.

British Library Electronic Table of Contents (United Kingdom)

The adhesion strength of polybutylene terephthalate (PBT) on aluminum was investigated using density functional theory-based total energy calculations. Aluminum atom was connected to a PBT monomer at different orientations and total energies were calculated in order to determine the most stable orientation. The energy differences showed that the Al oriented at 180degree with the ester group of the monomer bonded strongly. Using this orientation, the PBT monomer-adhesion on aluminum surface and the aluminum atom adhesion on PBT bulk were also investigated.

Science.gov (United States)

... above. In the initial round of experiments, the venom of Dendroaspis augustepsis was tested for its actions on neuromuscular transmission. ...

International Nuclear Information System (INIS)

Abstract only.

Wastenet

Country-led, national-based (programmatic) approach to avoid in-country in country leakage BUT also accepts

Science.gov (United States)

PMID:20576129

Science.gov (United States)

Pressure Ulcers

KoreaScience (Korea)

Full Text Available

International Nuclear Information System (INIS)

Short communication.

Energy Technology Data Exchange (ETDEWEB)

An approach for classification of transmission line faults is presented. The approach is based on fuzzy logic and requires the consideration of the samples of three phase currents at one end of transmission line. To illustrate the effectiveness of the proposed approach extensive simulation studies, using EMTP and MATLAB, have been carried out for different types of fault considering wide variations in the operating conditions. (author)

Energy Technology Data Exchange (ETDEWEB)

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.

Energy Technology Data Exchange (ETDEWEB)

For the first time, rheological phase method, a simple and effective route, is applied to synthesize novel cathode material LiCoPO{sub 4}. X-ray diffraction spectrometer (XRD), X-ray photoelectron spectrometer (XPS), transmission electron microscope (TEM) and electrochemical impedance spectroscopy (EIS) are taken to investigate this material, respectively. XRD figure shows that the rheological sample is better crystallized than the solid-state one. XPS result of the rheological sample exhibits that the valence of Co is 2+. TEM images show that better dispersed particles with smaller size can be formed by rheological method comparing to the solid-state route. Charge-discharge test is carried out in the range of 3.0-5.0 V at 0.2 mA cm{sup -2}. The initial discharge capacity for rheological phase and solid-state powder is 71.5 and 30.9 mAh g{sup -1}, respectively. The better electrochemical property should be ascribed to the better crystallized rheological phase ...

International Nuclear Information System (INIS)

The detailed electronic energy band structure of hexagonal close-packed #alpha#-zirconium, corresponding to the atomic configuration of 4d"25s"2 of its four outermost valence electrons, has been computed by the composite-wave variational version of the augmented-plane-wave(APW) method in conjunction with the X#alpha#(#alpha# = 0.70424) exchange approximation for obtaining the potentials. From these data the electronic density of states and its angular-momentum-decomposed components have been obtained by the Raubenheimer-Gilat method. These quantities are required in order to calculate the electron-phonon interaction parameter (lambda) and the superconducting transition temperature (Tsub(c)) within the framework of the theories of Gaspari and Gyorffy and McMillan. A study of the variation of Tsub(c) with the Coulomb pseudopotential (#mu#*) revealed that #mu#* = 0.1 yields the best agreement between theory and experiment for #alpha#-Zr. Also studied from the energy ...

British Library Electronic Table of Contents (United Kingdom)

A novel visible light sensitive photocatalyst, AgSbO3 was prepared by a conventional solid-state reaction method. This oxide belonging to a cubic-pyrochlore structure can absorb visible light with wavelength up to about 480nm. From the band structure calculation, we found that the top of the valence band consists of the hybridized Ag 4d and O 2p orbitals and the bottom of the conduction band mainly consists of the Ag 5s and the Sb 5s orbitals. Photocatalytic activities were evaluated using O2 evolution from an aqueous silver nitrate solution and decomposition of gaseous 2-propanol under visible light irradiation. We found that AgSbO3 shows a higher O2 evolution activity than WO3 and 2-propanol can be mineralized by the AgSbO3 photocatalysis under visible light irradiation.

CERN Document Server

The NuTeV collaboration reported anomalously large weak mixing angle sin^2 theta_W in comparison with the standard model prediction. Neutrino and antineutrino charged- and neutral-current events are analyzed for extracting sin^2 theta_W. Although the Paschos-Wolfenstein relation is not directly used in the analysis, it plays an important role in the determination. Noting that the target nucleus, iron, is not an isoscalar nucleus, we derive a leading-order expression for a modified Paschos-Wolfenstein relation for nuclei, which may have neutron excess. Then, using charge and baryon-number conservations for nuclei, we discuss an important nuclear correction in the sin^2 theta_W determination. It is noteworthy that nuclear modifications are different between valence up- and down-quark distributions. We find that this difference effect could be of the order of the NuTeV sin^2 theta_W deviation.

Energy Technology Data Exchange (ETDEWEB)

The available experimental data on the specific heat, magnetic susceptibility, magnetization, valence, NMR Knight shift and relaxation rate, and the quadrupolar moment of YbPd{sub 2}Si{sub 2} are examined within the framework of the single-ion Anderson model. Such an analysis has previously given excellent agreement between theory and experiment for numerous other light heavy-fermion compounds, where crystalline fields do not play a dominant role. For YbPd{sub 2}Si{sub 2}, substantial crystalline-field splittings make difficult a quantitative comparison with existing exact solutions of the Anderson model. Inconsistencies with the interpretation that a nearly degenerate ground quadruplet determines the low-temperature thermodynamics are pointed out. It is concluded that at least three of the four Kramers doublets participate in the low-{ital T} properties. These three doublets should have a splitting of the order of the Kondo temperature, i.e., about 100 K. A simple ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Measurements have been made on the magnetic susceptibilities of the quasi-one-dimensional magnetic #approx#-UF_5 and the cluster magnetic U_2F_9 (a four-nuclear type) over the range 4.2-300 K. The Curie-Weiss law applies for #approx#-UF_5 above 200 K, with #mu#ef = 2.37#mu#B, theta = -148 K; that law also applies to U_2F_9 above 150 K, with #mu#ef = 2.9#mu#B and theta = 118 K. The antiferromagnetic ordering is discussed for the one-dimensional chains in #approx#-UF_5 together with the phase transition observed in U_2F_9 at 6 K. It is assumed that the U"4"+ and U"5"+ valency states are stabilized below the phase-transition point, and only then can U_2F_9 be considered as the compound UF_4 x UF_5.

International Nuclear Information System (INIS)

The Schroedinger equation for nuclear quadruple surface vibrations is linearized with the consequence that a new spin degree of freedom appears in the wave function of the linearized equation. This spin is called collective spin and has a value of 3/2. The linearized Schroedinger equation for quadrupole vibrations is used for the description of certain collective aspects of even-odd "1"8"7","1"8"9","1"9"1Ir nuclei which have a spin 3/2 in their ground state. As a potential we use the #gamma#-soft collective potential of the neighboring even-even nuclei, which is inserted into the linearized Schroedinger equation via a scalar coupling. This leads to a collective spin-dependent fine structure splitting of the energy levels governed by a collective SO(5) spin-orbit coupling and a correction to the kinetic energy. Further, we consider explicitly spin-dependent potentials which effectively describe the interaction of the valence nucleon with the core of the even-odd Ir ...

International Nuclear Information System (INIS)

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

International Nuclear Information System (INIS)

Systematic ensemble photoluminescence studies have been performed on type-I InP-quantum dots in Al_0_._2_0Ga_0_._8_0InP barriers, emitting at approximately 1.85 eV at 5 K. The influence of different barrier configurations as well as the incorporation of additional tunnel barriers on the optical properties has been investigated. The confinement energy between the dot barrier and the surrounding barrier layers, which is the sum of the band discontinuities for the valence and the conduction bands, was chosen to be approximately 190 meV by using Al_0_._5_0Ga_0_._5_0InP. In combination with 2 nm thick AlInP tunnel barriers, the internal quantum efficiency of these barrier configurations can be increased by up to a factor of 20 at elevated temperatures with respect to quantum dots without such layers. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Energy Technology Data Exchange (ETDEWEB)

The near normal incidence reflectivity of the ferromagnets U/sub 3/P/sub 4/ and U/sub 3/As/sub 4/ and the isostructural but diamagnetic compounds Th/sub 3/P/sub 4/ and Th/sub 3/As/sub 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/sub 3/P/sub 4/ and U/sub 3/As/sub 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.

International Nuclear Information System (INIS)

The detailed energy-band structure of hexagonal-close-packed technetium, corresponding to the atomic configuration 4d"55s"2 of its seven outermost valence electrons, has been obtained throughout the Brillouin zone using the composite-wave variational version of the augmented-plane-wave (APW) method in conjunction with the X#alpha# (#alpha# = 0.702 99) exchange approximation for obtaining the potentials. From the band-structure data the electronic density of states (DOS) and the angular-momentum--decomposed DOS were calculated by the accurate Gilat-Raubenheimer method. These quantities were used to calculate the electron-phonon coupling constant and the transition temperature (T/sub c/) using the theories of Gaspari and Gyorffy and of McMillan. Also studied were the Fermi surface and the optical properties of Tc via the imaginary part of the interband dielectric constant for bound electrons, the latter being the first of such a study on Tc to date. The ...

International Nuclear Information System (INIS)

The broad bands in the room-temperature excitation spectra of Sm"3"+-, Dy"3"+- and Tm"3"+-activated Ca-#alpha#-SiAlON phosphors are interpreted as the N"3"--to-rare earth charge transfer transition (CTT). From the energies of the charge transfer transitions and from the optical data presented for the Eu"2"+ ion, the location of the divalent rare earth ion energy levels relative to the valence and the conduction band of Ca-#alpha#-SiAlON is derived. The salient features of the energy-level diagram are shown to be practical in explaining the temperature-dependent variations of the Eu"2"+ and Yb"2"+ luminescence efficiency in Ca-#alpha#-SiAlON. A comparative study pertaining to the nature of the Yb"2"+ and Eu"2"+ ion luminescence in Ca-#alpha#-SiAlON and in SrSi_2O_2N_2 is presented. A tentative energy-level diagram of the trivalent rare earth ions in Ca-#alpha#-SiAlON is also constructed.

International Nuclear Information System (INIS)

With "1"5"1Eu-Moessbauer spectroscopy and other methods the complex magnetic properties of Eu_2PdSi_3, arising from the two crystallographically different lattice sites of the Eu"2"+ ions, have been already studied. Here we study the impact of magnetic dilution of the magnetic Eu"2"+ sites by non-magnetic Y"3"+ ions. A previous specific heat study has found reduced magnetic ordering temperatures with strong indication of disorder effects like in magnetic spin glasses. Here we provide from "1"5"1Eu-Moessbauer spectroscopy detailed information of the impact of Y"3"+ substitution on the magnetic properties of the two lattice sites, well distinguishable in the "1"5"1Eu-spectra. Since the substitution of the larger Eu"2"+ ions by the smaller Y"3"+ ions is connected with a lattice contraction, we also applied high pressure to the Eu_2PdSi_3 sample and observed drastic changes in the magnetic properties originating from a valence transition towards Eu"3"+ for one of the ...

Energy Technology Data Exchange (ETDEWEB)

Bis(imido) uranium(VI) trans- and cis-dichalcogenate complexes with the general formula U(NtBu)2(EAr)2(OPPh3)2 (EAr = O-2-tBuC6H4, SPh, SePh, TePh) and U(NtBu)2(EAr)2(R2bpy) (EAr = SPh, SePh, TePh) (R2bpy = 4,4'-disubstituted-2,2'-bipyridyl, R = Me, tBu) have been prepared. This family of complexes includes the first reported monodentate selenolate and tellurolate complexes of uranium(VI). Density functional theory calculations show that covalent interactions in the U-E bond increase in the trans-dichalcogenate series U(NtBu)2(EAr)2(OPPh3)2 as the size of the chalcogenate donor increases and that both 5f and 6d orbital participation is important in the M-E bonds of U-S, U-Se, and U-Te complexes.

Energy Technology Data Exchange (ETDEWEB)

This paper highlights some of the conceptual and methodological problems involved in the compilation of statistics on economic aid to developing countries. Figures from the OECD Development Assistance Committee (DAC) and the Organization of Petroleum Exporting Countries (OPEC) member states are compared to point up problems in the interpretation of the statistics. One area of concern is the listing of funds provided by financial institutions located in the DAC countries. OPEC capital often forms a majority of such institutions; yet the figures do not measure the OPEC share of the capital nor its share of the risk borne in its provision of the loans. Another area of concern is bond purchases and subscriptions to syndicated loans by OPEC financial institutions in the financial markets of DAC countries. The flows in these instances, originating from OPEC sources, are merely channeled through the DAC financial markets. Based on origin and risk (borne exclusively by ...

International Nuclear Information System (INIS)

Three new rare earth metal-rich compounds, Gd_4NiTe_2, and Er_5M_2Te_2 (M=Ni, Co), were synthesized in direct reactions using R, R_3M, and R_2Te_3 (R=Gd, Er; M=Co, Ni) and single-crystal structures were determined. Gd_4NiTe_2 is orthorhombic and crystallizes in space group Pnma with four formula units per cell. Lattice parameters at 110(2)K are a=15.548(9), b=4.113(2), c=11.7521(15)A. Er_5Ni_2Te_2 and Er_5Co_2Te_2 are isostructural and crystallize in the orthorhombic space group Cmcm with two formula units per cell. Lattice parameters at 110(2)K are a=3.934(1), b=14.811(4), c=14.709(4)A, and a=3.898(1), b=14.920(3), c=14.889(3)A, respectively. Metal-metal bonding correlations were analyzed using the empirical Pauling bond order concept.

Energy Technology Data Exchange (ETDEWEB)

A route, as followed by ECN, is described for development of SiN{sub x}:H layers deposited by microwave (MW) PECVD, which are suited for surface and bulk passivation of mc-Si solar cells. First research was focussed on surface passivation and this resulted in the development of SiN layers that were Si-rich and where the hydrogen is mainly bonded to silicon atoms. A disadvantage of such Si-rich layers is their large absorption at shorter wavelengths, which make them unsuitable as front side AR coatings. Further, these layers appeared to be less suitable for bulk passivation. The next step therefore was the development of SiN layers for bulk passivation. For good bulk passivation of solar cells by means of a thermal anneal of the SiN layers, we found that SiN layers with high N-H bonding concentrations are required. Fine-tuning of the deposition conditions of these layers, finally resulted in the development of a SiN layer type which combines the ...

International Nuclear Information System (INIS)

In the frame of the European Technology R and D programme for International thermonuclear experimental reactor (ITER) and in the area of high heat flux plasma facing components (HHFC), representative small-scale mock-ups were manufactured and tested to compare different concepts and joining technologies (i.e. active brazing, hot isostatic pressing (HIPping), diffusion bonding, etc.). On the basis of the results obtained by thermal fatigue tests, the monoblock concept resulted to be the most robust one, particularly when the HIPping manufacturing technology is used. Within this programme, ENEA developed an alternative technique for manufacturing plasma-facing components with a monoblock geometry of the ITER machine. The basic idea of this technique, named hot radial pressing (HRP), is to perform a radial diffusion bonding between the cooling tube and the armour tile by pressurising the internal tube only and by keeping the process parameters ...

British Library Electronic Table of Contents (United Kingdom)

One salt and two Cu(II) complexes (H2hsm)(ox), 1, [Cu(hsm)(ox)], 2, and [Cu(hsm)(ox)H2O], 3, have been synthesized and X-ray characterized (hsm is histamine and ox2? is the oxalate dianion). Starting from the prochiral tetracoordinated complex 2, pentacoordinated complex 3 crystallizes as a racemic mixture of the enantiomeric ? and ? isomers, in space group P21/c. In all cases, the side chain of the hsm group is gauche, allowing the formation of strong hydrogen bonds in the salt 1, and to chelate the metal center in complexes 2 and 3. The combination hsm/ox seems to favor the formation of 2D supramolecular structures (planes or wavy planes), through efficient networks of N?H???O hydrogen bonds. Cell parameters: 1, P21/c, a?=?6.260 (2) ?, b?=?11.500 (4) ?, c?=?12.525 (4) ?, ??=?104.047 (17)...

International Nuclear Information System (INIS)

Glasses in the system (1 - x) [29Na2O- 4Al2O3- 67B2O3]- xZnO (0 ? x ? 35 mol%), have been prepared by the melt quenching technique. Elastic properties, X-ray and FT-IR spectroscopic studies have been employed to study the role of ZnO on the structure of the investigated glass system. Elastic properties and Debye temperature have been investigated using sound wave velocity measurements at 4 MHz at room temperature. The results showed that the density increases and the molar volume decreases while both sound velocities and the determined glass transition temperatures decrease with increase in x. X-ray and infrared spectra of the glasses reveal that the borate network consists of diborate units and is affected by the increase in the concentration of ZnO content. These results are interpreted in terms of the decrease in the N4 values (fraction of tetrahedral coordinated boron atoms), and substitution of longer bond lengths of Zn-O in place of shorter B-O ...

International Nuclear Information System (INIS)

EPR and FT-IR absorption measurements have been performed for xCuO.(100-x)[2Bi2O3.B2O3] glass system, with 0?x?50 mol%. The mode in which the addition of the copper ions influences the structure of 2Bi2O3.B2O3 glass matrix was analyzed. The EPR absorption spectra revealed the presence in the glass structure of Cu2+ ions in axially distorted octahedral environments. EPR data pointed out the simultaneous presence of Cu2+ and Cu+ ionic species in the glasses with x?5 mol%. For x>10 mol%, the Cu2+ ions participate in the superexchange magnetic interactions, which increase with CuO content. The FT-IR spectra showed the presence of some bands that are assigned to vibrations of Bi-O bonds from BiO3 pyramidal and BiO6 octahedral units and B-O bonds from BO3 and BO4 units. The data obtained by these measurements reveal the structural changes in the 2Bi2O3.B2O3 glass matrix by controlled doping of CuO.

Science.gov (United States)

Having recently discovered that polynuclear heteroaromatic nitrogen compounds can be selectively reduced only at the nitrogen containing ring, we have now turned our attention towards the cleavage of the carbon nitrogen bonds in this reduced ring. Highlights for this reporting period are: (1) Studies with the 50% nickel oxide catalyst clearly show that 1,2,3,4-tetrahydroquinoline(THQ) provides approximately 20% more liquid product that does quinoline. Thus a first step selective hydrogenation to 1,2,3,4-THQ would enhance the overall HDN reaction to provide a more substantial conversion to substituted benzene and aniline derivatives. (2) The dramatic effect of the nitrogen atom is to inhibit aromatic ring hydrogenation and, to some extent, carbon-carbon bond hydrogenolysis reactivity. This is shown with proplybenzene as the substrate, where only methane gas is produced in the HDN reaction with the 50% nickel oxide catalyst. (3) The HDN reaction ...

Energy Technology Data Exchange (ETDEWEB)

A preliminary chemical characterization is presented of phosphate-free aminolipids isolation from Chlorobium limicola f. thiosulfatophilum. The lipid contains no phosphorus, glycerol, sugar, ornithine, or lysine. Ultraviolet absorption and fluorescence spectra indicate that the amino moiety of the lipid is an aromatic heterocyclic compound. Infrared spectra indicate that the lipid is a secondary or tertiary amide, and gas chromatograhic analysis of the hydrolyzed lipid shows that for each 1100 g of lipid, 1 mol of myristic acid (C/sub 14:0/) is linked in an amide bond. Acid hydrolysis of the lipid yields two fluorescent substances, A (ninhydrine positive) and B (negative), in addition to myristic acid. Proton nuclear magnetic resonance (NMR) studies indicate that substance A contains a butyl groups attached to a conjugated ring carbon, two equivalent ethyl groups attached to one or two nitrogen atoms, and two downfield protons (8.4 ppm), perhaps attached to a ring ...