ytterbium hydrides: Topics by WorldWideScience.org

Evidence of FCC titanium hydride formation in #beta# titanium alloy: An X-ray diffraction study

No abstract prepared.

2002-01-01

Three types of titanium hydrides have been reported: #delta#, #epsilon# and #gamma# hydrides. The #delta# hydride forms in the composition range from TiH/sub 1.5/ to TiH/sub 1.99/ and has a CaF/sub 2/ structure with metal atoms on an fcc lattice and hydrogen atoms randomly occupying tetrahedral interstitial sites. At higher hydrogen concentrations, TiH/sub 2/, the fct (c/a # #epsilon# transformation is apparently diffusionless, similar to that operating in the cubic/tetragonal transformation in zirconium hydride. The metastable fct #gamma# hydride having a c/a value of 1.09 or 1.12 forms from solid solutions of hydrogen in the hcp #alpha# matrix. While the titanium hydride precipitation in #alpha#-Ti and its alloys has attracted extensive investigation, hydride formation in bcc #beta#-Ti alloys has rarely been studied because they have not ...

Hydrogen in metals

Monte Carlo characterization of an ytterbium-169 high dose rate brachytherapy source with analysis of statistical uncertainty

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

Growth of ytterbium tartrate trihydrate crystals in silica and agar-agar gels and their characterization

An ytterbium-169 high dose rate brachytherapy source, distinguished by an intensity-weighted average photon energy of 92.7 keV and a 32.015#+-#0.009 day half-life, is characterized in terms of the updated AAPM Task Group Report No. 43 specifications using the MCNP5 Monte Carlo computer code. In accordance with these specifications, the investigation included Monte Carlo simulations both in water and air with the in-air photon spectrum filtered to remove low-energy photons below 10 keV. TG-43 dosimetric data including S_K, D(r,#theta#), #LAMBDA#, g_L(r), F(r,#theta#), #phi#_a_n(r), and #phi#_a_n were calculated and statistical uncertainties in these parameters were derived and calculated in the appendix.

2006-01-01

British Library Electronic Table of Contents (United Kingdom)

Single crystals of ytterbium tartrate trihydrate have been grown by gel method using silica and agar-agar gels as media of growth. The medium of growth influences the morphology of grown crystals, silica gel yielding single and polycrystalline in the form of spherulites whereas agar-agar gel leading to growth of single and twinned crystals. Materials grown as single crystals have been characterized by using optical and scanning electron microscopy (SEM), EDAX, XRD, FT-IR, CHN and thermogravimetric techniques. The stoichiometry of the grown single crystals is suggested to be Yb(C4H4O6) (C4H5O6).3H2O. The FT-IR spectrum shows the presence of singly as well as doubly ionized tartrate ligands. Results of thermal analysis indicate that the material is thermally stable up to a temperature of 200...

2006-01-01

Electric and magnetic properties of Yb-(Pt, Pd)-(GeSi) intermetallides

Dielectric and thermal characteristics of gel grown single crystals of ytterbium tartrate trihydrate

New ternary compounds on the ytterbium base YbPd_2Ge, YbPd_2Si, YbPdGe, YbPdSi, YbPtGe, YbPd_2Ge_2 and known compound YbPdSi_2 were obtained and investigated. Results of measuring the electric resistivity and magnetic susceptibility in the 4.2-300 K range are presented. It is found that YbPdGe, YbPtGe, YbPd_2Ge at low temperatures have magnetic phase transitions, investigations of which testify to dominant contribution of ferromagnetic ordering. The investigation results testify also to substantial effect of ytterbium crystalline environment on the physical properties of compounds under study.

British Library Electronic Table of Contents (United Kingdom)

Dielectric and thermal characteristics of gel grown single crystals of ytterbium tartrate trihydrate have been carried out. The dielectric constant has been measured as a function of frequency in the range 2?kHz?1?MHz and temperature range 30?300??C. The dielectric constant increases with temperature, attains a peak near 215??C, and then decreases as the temperature exceeds 215??C. The dielectric anomaly at 215??C is suggested to be due to phase transition brought about in the material. The dielectric behaviour of the material is correlated with the results on thermal analysis. Thermogravimetric and differential thermal analysis have been used to study the thermal characteristics of the material. The experimental results show that the material is thermally stable up to 200??C. The decompos...

2007-01-01

Reaction of hydrogen with ZrNiHsub(x) studying by programmed thermodesorption method

Study of ytterbium doping effects on structural, mechanical and opto-thermal properties of sprayed ZnO thin films using the Boubaker Polynomials Expansion Scheme (BPES)

The method of programmed thermodesorption has been used to study the forms of hydrogen adsorption in ZrNiHsub(x) hydride. It is shown that high concentration of the hydrogen, which extracted from hydride in the temperature range of 240-260 deg C results in appearance of ''reverse'' peak. Charge of hydride adsorption properties during its oxidation-reduction treatment is studied. Comparison with spectra of hydrogen thermodesorption from the surface of Ni/ZrO_2 deposited catalyst and zirconium oxide is carried out.

1983-01-01

Study of ytterbium doping effects on structural, mechanical and opto-thermal properties of sprayed ZnO thin films using the Boubaker Polynomials Expansion Scheme (BPES)

In this work, ZnO thin films have been grown on glass substrates by using a solution of propanol (C{sub 3}H{sub 8}O), water (H{sub 2}O) and zinc acetate (Z{sub n}(CH{sub 3}CO{sub 2}){sub 2}) in acidified medium (pH 5). The obtained films were n doped with ytterbium (Yb) at the rates of 100, 200 and 300 ppm. The structural features of the doped films were investigated using XRD, atomic force microscopy and scanning electronic microscopy techniques. XRD analysis shows a strong (0 0 2) X-ray diffraction line for increasing Yb-doping amounts. This c-axis preferential orientation of ZnO crystallites is naturally required to use this oxide as transparent conductor in optoelectronic applications. Atomic force microscopy (AFM) analysis shows an enhancement in the surface roughness of the doped ZnO:Yb thin films. Optical measurements were performed in 300-1800 nm domain via transmittance T(lambda) and reflectance R(lambda) spectra. Conjoint optical and thermal properties ...

2009-10-19

Particle size effects on the desorption properties of nanostructured magnesium dihydride (MgH2) synthesized by controlled reactive mechanical milling (CRMM)

In this work, ZnO thin films have been grown on glass substrates by using a solution of propanol (C3H8O), water (H2O) and zinc acetate (Zn(CH3CO2)2) in acidified medium (pH 5). The obtained films were n doped with ytterbium (Yb) at the rates of 100, 200 and 300 ppm. The structural features of the doped films were investigated using XRD, atomic force microscopy and scanning electronic microscopy techniques. XRD analysis shows a strong (0 0 2) X-ray diffraction line for increasing Yb-doping amounts. This c-axis preferential orientation of ZnO crystallites is naturally required to use this oxide as transparent conductor in optoelectronic applications. Atomic force microscopy (AFM) analysis shows an enhancement in the surface roughness of the doped ZnO:Yb thin films. Optical measurements were performed in 300-1800 nm domain via transmittance T(?) and reflectance R(?) spectra. Conjoint optical and thermal properties were deduced from the optical measurements in ...

2009-10-19

Electrode behavior of hydride ion in LiCl-KCl melt. Yoyu enka lithium-enka kariumu chu deno hydride ion no denkyoku hanno

In the present work the hydrogen desorption properties of nanostructured magnesium hydride (MgH2) synthesized by controlled reactive mechanical milling (CRMM) of elemental Mg powder under hydrogen are investigated. A profound effect of the particle size of synthesized MgH2 hydride on its hydrogen desorption characteristics measured by differential scanning calorimetery (DSC) has been found. All synthesized MgH2 powders are characterized by a double hydrogen desorption peak. Furthermore, below a certain threshold particle size the DSC desorption temperature of the peak doublet starts decreasing rapidly with decreasing of the mean hydride powder particle size (expressed as equivalent circle diameter-ECD). In contrast, the nanograin (crystallite) size of MgH2 does not seem to have apparent effect on the DSC desorption temperature. It is also observed that for powder particles smaller than some threshold value, X-ray ...

2006-11-09

Theoretical Standard Model Rates of Proton to Neutron Conversions Near Metallic Hydride Surfaces

Studies are made on electrode behaviors of hydride ion in eutectic LiCl-KCl molten salt by various electrochemical methods. As a result, it is confirmed and clarified, by cyclic voltammetry, that anode reaction of hydride ion exists and it is a diffusion-controlled, reversible and one-electron reaction. Also, generation of hydrogen gas is confirmed by a potentiostatic electrolysis, and the electrolysis in the current efficiency of about 95% is possible by controlling electric potential. Moreover, results of chronopotentiometry and chronoamperometry show that hydride ion is anodically oxidized by the diffusion controlling reaction and the reaction itself is reversible. Results of cyclic voltammetry indicate that a diffusion constant D{sub H} {sup {minus}} equals 3.0 {times}10 {sup {minus}5}cm{sup 2}{center dot}S{sup {minus}1} (425 centigrade). This value corresponds well to the values estimated from chronopotentiometry and ...

1991-09-05

CERN Document Server

The process of radiation induced electron capture by protons or deuterons producing new ultra low momentum neutrons and neutrinos may be theoretically described within the standard field theoretical model of electroweak interactions. For protons or deuterons in the neighborhoods of surfaces of condensed matter metallic hydride cathodes, such conversions are determined in part by the collective plasma modes of the participating charged particles, e.g. electrons and protons. The radiation energy required for such low energy nuclear reactions may be supplied by the applied voltage required to push a strong charged current across a metallic hydride surface employed as a cathode within a chemical cell. The electroweak rates of the resulting ultra low momentum neutron production are computed from these considerations.

2006-01-01

Direct coal liquefaction using iron-titanium hydride as a hydrogen distribution and catalytic material. Progress report No. 5, September 1-November 30, 1985

Stabilisation of #alpha#-Sialons using multiple additives

During this reporting period two direct coal liquefaction experiments have been completed and a third is underway. These experiments have produced conversion and selectivity data on samples of Alabama bituminous coal slurried in tetralin and catalyzed using iron-titanium hydride. The experiments address the liquefaction of an agglomerating coal. Conversions of 45 to 55% DAF in 30 min have been recorded at 500/sup 0/F and 520 psia. Equipment modifications were made in an attempt to eliminate the problem of alloy binding in the hydride formation vessel. 4 figs., 4 tabs.

1985-12-20

Multi-cation #alpha#-Sialon ceramics were prepared using mixtures of samarium with calcium, magnesium, yttrium and ytterbium, and compared with a pure Sm-Sialon of equivalent total stabilising cation composition. A ratio of 80eq% samarium to 20eq% of the second stabilising additive was used. Samples were fired at 1820 deg C and subsequently heat treated at 1450 deg C. XRD phase analysis showed that all additives resulted in greater #alpha#-Sialon stability, and that calcium was the most effective additive for the stabilisation of the #alpha#-Sialon phase. Copyright (1998) Australasian Ceramic Society

1998-09-28

Phase diagrams

Production and stability of implanted Pd-Si hydride

The description is presented of binary phase diagrams of titanium alloyed with the following elements: silver, aluminium, arsenic, gold, boron, barium, beryllium, bismuth, carbon, calcium, cadmium, cobalt, chromium, copper, iron, gallium, germanium, hydrogen, hafnium, indium, iridium, potassium, lithium, magnesium, manganese, molybdenum, nitrogen, sodium, niobium, nickel, oxygen, osmium, phosphorus, lead, palladium, platinum, plutonium, rhenium, lanthanium, cerium, preseodymium, neodymium, gadolinium, erbium, terbium, thulium, lutetium, rhodium, ruthenium, scandium, silicon, tin, strontium, tantalum, technetium, thorium, uranium, vanadium, tungsten, yttrium, ytterbium, zinc and zirconium.

Combining in situ Rutherford backscattering and electrical transport measurements on low-temperature hydrogen-implanted amorphous Pd/sub 80/Si/sub 20/ films, we have studied the correlation between the hydrogen content and the resistivity.

1983-05-01

Hydrogen isotope effects in hydride transfer reactions of formaldehyde and glyoxal

Nano-wire arrays of Niobium were produced by small angle sputtering on facetted sapphire, using the self shadowing effect of the facets. A wire width of about 80 nm was adjusted, the mean (maximum) wire height was about 20 nm (30 nm), the length can be in the cm range. Meander-film morphologies of 20 nm mean (26 nm maximum) thickness were produced by conventional sputtering onto smooth sapphire substrates at elevated temperatures. The morphology of the wires was investigated with atomic force microscopy (AFM), using contact mode. Meander-films were studied by scanning tunnelling microscopy (STM). Hydrogen loading was performed by instantaneously increasing the hydrogen gas pressure above the solubility limit. Thus, an elongated hydride could be monitored in an about 30 nm thick wire. STM studies on meander-films show the presence of cylindrical hydrides. Local out-of-plane and in-plane expansion can be explained by the formation of ...

2007-10-31

Energizing the batteries for electric cars

In the presence of hydroxyl anion, both formaldehyde and glyoxal are known to undergo rearrangements involving intermolecular and intramolecular hydride transfer (the Cannizzaro and Benzilic acid rearrangements respectively). The authors report ab initio SCF-MO calculations of the transition state geometries, the activation barriers, and the hydrogen isotope effects for these two reactions. The structure of the transition state for the rection involving formaldehyde is usually basis set dependent, becoming more linear and symmetrical as the basis set size increases. In contrast, the analogous transition state for the glyoxal reaction involves a highly non-linear hydride transfer. They find the isotope effects to be quite low for the Cannizzaro reaction, and significantly larger for the non-linear benzilic acid rection, in apparent contradiction to Westheimer's suggestion the isotope effects reach a maximum for linear hydrogen transfers. Since ...

1987-04-01

1 2 3 4 5

Stress analysis of hydride bed vessels used for tritium storage

This article reports of the nickel-metal-hydride battery and its ability to compete with the lead-acid battery in electric-powered vehicles. The topics of the article include development of the battery, the impetus for development in California environmental law, battery performance, packaging for the battery's hazardous materials, and the solid electrolyte battery.

1993-07-01

Delayed Hydride Cracking Mechanism in Zirconium Alloys and Technical Requirements for In-Service Evaluation of Zr-2.5Nb Tubes with Flaws

A prototype hydride storage bed, using LaNi{sub 4.25}Al{sub 0.75} as the storage material, was fitted with strain gages to measure strains occurring in the stainless steel bed vessel caused by expansion of the storage powder upon uptake of hydrogen. The strain remained low in the bed as hydrogen was added, up to a bed loading of about 0.5 hydrogen to metal atom ratio (H/M). The strain then increased with increasing hydrogen loading ({approximately} 0.8 H/M). Different locations exhibited greatly different levels of maximum strain. In no case was the design stress of the vessel exceeded.

1991-01-01

Spectroscopic characteristics of erbium and ytterbium-activated laser media

In association with periodic inspection of CANDU nuclear power plant components, Canadian Standards Association issued CSA N285.8 in 2005 as technical requirements for in-service evaluation of zirconium alloy pressure tubes in CANDU reactors. This first version, CSA N285.8 involves procedures for, firstly, the evaluation of pressure tube flaws, secondly, the evaluation of pressure tube to calandria tube contact and, thirdly, the assessment of a reactor core, and material properties and derived quantities. The evaluation of pressure tube flaws includes delayed hydride cracking evaluation the procedures of which are stipulated based on the existing delayed hydride cracking models. For example, the evaluation of flaw-tip hydride precipitation during reactor cooldown involves a procedure to calculate the equilibrium hydrogen equivalent concentration in solution at the flaw tip, Htipas follows: Htip=Hfexp[- (VH delta no.)/RT], ...

2007-05-10

Measurements and calculations of M-shell X-ray production in Er, Yb and Lu by 0.75-6 MeV He ions

Judd-Ofelt parameters (?2 = 5.09?10-20, ?4 0.92?10-20, and ?6 = 0.63?10-20 cm2) and oscillator strengths of fundamental optical transitions involved in lasing at wavelength 1.54 ?m have been calculated for borosilicophosphate glass co-activated with Er3+ and Tb3+ ions based on experimental luminescence and absorption spectra and refractive indices. The results were used to determine the emission (6?10-23 cm2) and absorption (5?10-21 cm2) cross sections for lambda = 1.54 ?m and the gain cross section as a function of inverse population levels. (authors)

2009-01-01

An indicator, high speed method for determining the water and aqueous phase content in a hydrocarbon fuel

M-shell X-ray production cross sections for the light rare-earth elements of {sup 68}Er, {sup 7}Yb and {sup 71}Lu have been measured for incident {sup 4}He{sup +} ions in the energy range from 0.75 to 6 MeV. The measured X-ray production cross sections are compared to the predictions of the First Born approximation, the ECPSSR theory and the ECUSAR theory. A comparison of the ytterbium M-shell X-ray production cross sections with these theories is made for two different sets of fluorescence yields and Coster-Kronig factors that are further modified for multiple ionization.

2005-12-15

Hydriding properties of a mechanically milled Mg-50 wt.% ZrFe{sub 1.4}Cr{sub 0.6} composite

A method and an instrument for determining the total water content in a hydrocarbon fuel using an indicator composition, which includes calcium hydride and phenolphthaleyn, are developed. The essence of the method is fixing the presence of water with its interaction with the calcium hydride and subsequent indication of the formed Ca(OH)2 using the phenolphthallen. To make the indicator composition, a hygroscopic cotton, prewashed by rectified alcohol and dried for 30 minutes at 105 degrees, is impregnated by a 1 percent alcohol solution of phenolphthaleyn and is dried in the same conditions. Then the cotton is processed by a powder form calcium hydride (a layer thickness of 0.1 to 0.2 millimeters, and a granule size of less than or equal to 80 micromters). The indicator composition is placed in a glass tube (a diameter of 4 to 7 millimeters and a length of 80 to 100 millimeters), whose ends are sealed or filled with ...

1983-01-01

First principle calculations of alkali hydride electronic structures

The ball-milling method was used to produce Mg-50 wt.% ZrFe{sub 1.4}Cr{sub 0.6} composite. The thermodynamic, kinetic, and cycling properties, as well as the resistance to oxidation were examined. This composite possesses excellent kinetic properties, even at moderate temperature. Scanning electron microscopy, energy-dispersive spectrum, transmission electron microscopy and X-ray diffraction were used to characterize the composite before and after hydriding. The fine ZrFe{sub 1.4}Cr{sub 0.6} particles covering Mg particles acting as a ''catalytic film'', a significant amount of imperfections and some alloy powder in the Mg matrix introduced by ball milling all contributed to the enhanced absorption/desorption rate. (orig.)

2000-02-02

Electronic energy bands and optical properties of LaH"2 and NdH"2

Electronic structure, volume optimization, bulk moduli, elastic constants, and frequencies of the transversal optical vibrations in LiH, NaH, KH, RbH, and CsH are calculated using the full potential augmented plane wave method, extended with local orbitals, and the full potential linearized augmented plane wave method. The obtained results show some common features in the electronic structure of these compounds, but also clear differences, which cannot be explained using simple empirical trends. The differences are particularly prominent in the electronic distributions and interactions in various crystallographic planes. In the light of these findings we have elaborated some selected experimental results and discussed several theoretical approaches frequently used for the description of various alkali hydride properties.

2007-10-10

ONR-NRL Superconducting Materials Symposium: A forecast

Electronic energy bands of LaH"2 and NdH"2 have been calculated by the composite-wave variational version of the augmented plane wave method. Crystal potentials for both the hydrides were constructed by the superposition of the atomic potentials of Herman and Skillman. From the band structure data, density of states, joint density of states, optical absorption spectra and Fermi surfaces of these two hydrides have been calculated. The results of the optical studies have been successfully compared with the experimental results of Weaver et al. From the theoretical point of view the present results for LaH"2 have been satisfactorily compared with the results of Gupta et al. Since no theoretical calculation exists for ndH"2, theoretical comparison, in this case, was not possible for NdH"2. (author).

Magnesium foam produced from bulk AZ31 magnesium alloy sheets

Partial Contents: Ternary Compounds; Granular Superconductors; Superconductivity in (SN)x and its Halogen Derivative (SNBr0.4)x; Studies of cuCl at Elevated Pressures; Superconducting Properties of Hydride Systems; Thin Film Superconducting Materials Research; Synthesis of Superconducting Nb3Si using High Pressures; Synthesis of Unstable A-15 Compounds by Epitaxial Recrystallization of Ion Implanted Layers; and Sputtering of Nb3Si.

1979-01-01

Hydrides of CeNi/sub 5/, MmNi/sub 5/, Ca/sub 0/ /sub 2/(Ce/sub 0/ /sub 65/Mm/sub 0/ /sub 35/)/sub 0/ /sub 8/Ni/sub 5/, Ca/sub 0/ /sub 2/Ce/sub 0/ /sub 8/Ni/sub 5/, Ca/sub 0/ /sub 2/Mm/sub 0/ /sub 8/Ni/sub 5/, and mixed CeNi/sub 5//MmNi/sub 5/

Using commercial AZ31 magnesium alloy sheets, we produced a foamable preform sheet containing titanium hydride (TiH{sub 2}) powder through diffusion-bonding and hot-rolling of four cycles. Heating the preform sheets in Ar atmosphere, we obtained closed-cell magnesium alloy foams with various porosities. The foamed specimen at 883 K showed the maximum porosities of 77%. (orig.)

2005-07-01

Formation of interphase layers in titanium alloys under repeated loading

Six intermetallic alloys (CeNi/sub 5/, MmNi/sub 5/, Ca/sub 0/ /sub 2/(Ce/sub 0/ /sub 65/Mm/sub 0/ /sub 35/)/sub 0/ /sub 8/Ni/sub 5/, Ca/sub 0/ /sub 2/Ce/sub 0/ /sub 8/Ni/sub 5/, Ca/sub 0/ /sub 2/Mm/sub 0/ /sub 8/Ni/sub 5/, and a mixed alloy, CeNi/sub 5//MmNi/sub 5/) were investigated with respect to their suitability to provide high hydrogen capacity and their potential for use in providing substantial hydrogen pressure at both low and high temperatures. A second phase of our investigation dealt with ball-milling and hydriding and dehydriding cycles to produce fine particles for use in hydride powder transfer studies. A summary of several Van't Hoff plots is also included for hydride-forming alloys.

1982-09-01

Radiochemical separation of no-carrier-added {sup 177}Lu as produced via the {sup 176}Ybn,{gamma}{sup 177}Yb{yields}{sup 177}Lu process

Cyclic strength of #alpha#+#beta#-titanium alloy BT3-1 is studied under load frequencies of 33 and 300 Hz. The increase in the cyclic strength with growing frequency is caused by formation of FCC interphase layers of titanium hydrides. Their formation is one of possible ways of raising the fatigue strength of titanium alloys. Peculiarities of FCC interlayer formation in #alpha#+#beta# phases under loading frequency variation are revealed.

Magnetic moment measurements of gadolinium, holmium and ytterbium tartrate trihydrate crystals

The {sup 176}Ybn,{gamma}{sup 177}Yb-{beta}{sup -}{yields}{sup 177}Lu process was investigated to provide no-carrier-added (nca) {sup 177}Lu. The radiochemical separation of the {sup 177}Lu from the macro-amounts of the ytterbium target based on the cementation process, i.e. the selective extraction of Yb by Na(Hg) amalgam from Cl{sup -}/CH{sub 3}COO{sup -} electrolytes, followed by a final cation exchange purification. The cementation separation process provides a decontamination factor of Yb(III) of 10{sup 4}, the cation exchange purification adding a decontamination factor of >10{sup 2}. The nca {sup 177}Lu is available in radiochemically pure form despite the chemical similarity of the lanthanides with 75{+-}5% overall separation yield within 4-5 h. It can be used to synthesise nca {sup 177}Lu labelled radiotherapeuticals.

2000-09-15

British Library Electronic Table of Contents (United Kingdom)

Magnetic moment and susceptibility of single crystals of rare earth tartrates of the type R(C4H4O6)(C4H5O6)3H2O (where R = Gd, Ho, and Yb), using a vibration sample magnetometer are reported. The experimental values of molar susceptibilities for Gd(C4H4O6)(C4H5O6)3H2O, Ho(C4H4O6)(C4H5O6)3H2O, and Yb(C4H4O6)(C4H5O6)3H2O are 2.58x10-2, 4.66x10-2, and 8.03x10-3 (in cgs em units), respectively. The calculated effective magnetic moments are in good agreement with the theoretical predictions on rare earth ions.

2008-01-01

Water consumption during solid state sodium borohydride hydrolysis

Spectral dependence of ultrasonic attenuation for hydrided Zr-2.5%Nb Alloy

In this paper nickel acetate catalyzed sodium borohydride cartridges have been prepared and hydrolyzed with water for hydrogen production. Two technological solutions have been tested to increase the overall hydrogen yield, namely a porous water diffuser and a hydrophobic membrane. The first was used to improve water diffusion inside the hydride while the second to confine water inside the cartridge. The generated hydrogen flow showed a very reproducible behavior. Hydrogen promptly evolved just after water was pumped into the cartridge. After some initial peaks, a constant hydrogen flow has been recorded for the whole reaction time. The constant flow was related to the presence of the porous diffuser. The use of a hydrophobic membrane to confine the water inside the cartridge allowed to increase the overall hydrogen yield: about 6 water molecules per mol of hydride were required to complete the reaction. The reaction product was identified by ...

2010-11-15

Production of negative ions by electron impact. Final report 1 May 81-31 Oct 82

The cold-worked Zr-2.5%Nb alloy is used as material for the pressure tubes in CANDU nuclear reactors. During the service life in reactor, diffusion of hydrogen and/or deuterium in the pressure tubes wall occur. Below a certain temperature, a stable hydride of zirconium is formed, as a brittle phase which can lead to catastrophic failures. For this reason, it is very important to be able to investigate the hydrogen effect on the micro structural properties of zirconium alloys. In the present paper a non-destructive testing technique is used, known as ultrasonic spectral analysis. When an ultrasonic signal traverses a medium, the frequency components associated with the input signal are altered. By frequency analysing the reflected signals, it is possible to study and compare the material properties. The two major parameters measured in ultrasonic spectroscopy are the attenuation and the velocity of the waves. Attenuation is determined by the energy losses in ...

2009-10-12

Plasma jet ignition device

Proposed future space-based beam weapons systems will most probably require an intense neutral particle beam for effective operation across geomagnetic field lines. Such neutral beams can most efficiently be obtained by stripping excess electrons from negative ion beams. The objective of this work is to study the process of dissociative attachment of electrons. Specifically, to measure the cross sections for polar dissociation and dissociative attachment for production of H(-). It is suspected that these dissociative attachment cross sections for the production of H(-) from alkali hydrides are large. The insight gained from this study will be extremely helpful in the fabrication of high current density H(-) beam sources for use in the production of intense neutral hydrogen beams. A selection of alkali hydride molecules will be investigated in order to determine the largest cross sections for the production of H(-) by electron impact. The ...

1982-10-01

Hydrogen transport behavior of Timetal-21S alloy

An ignition device of the plasma jet type is disclosed. The device has a cylindrical cavity formed in insulating material with an electrode at one end. The other end of the cylindrical cavity is closed by a metal plate with a small orifice in the center which plate serves as a second electrode. An arc jumping between the first electrode and the orifice plate causes the formation of a highly-ionized plasma in the cavity which is ejected through the orifice into the engine cylinder area to ignite the main fuel mixture. Two improvements are disclosed to enhance the operation of the device and the length of the plasma plume. One improvement is a metal hydride ring which is inserted in the cavity next to the first electrode. During operation, the high temperature in the cavity and the highly excited nature of the plasma breaks down the metal hydride, liberating hydrogen which acts as an additional fuel to help plasma formation. A second improvement ...

1985-01-15

Direct coal liquefaction using iron-titanium hydride as a hydrogen distribution and catalytic material. Quarterly report No. 3, March 1, 1985-May 31, 1985

Ti-15Mo-2.7Nb-3Al-0.2Si (Timetal-21S), a metastable #beta#-titanium alloy, is a candidate material for titanium matrix composite structures in hydrogen-fueled hypersonic planes because of its excellent formability and adequate mechanical properties in the 500--800 C temperature range. The alloy is strengthened through the precipitation of fine #alpha# particles in the #beta# matrix. The mechanical properties and microstructures are controlled by a solutionizing/aging heat treatment. A major concern in using titanium alloys in hydrogen service is the embrittlement caused by the precipitation of hydrides. It is believed that the large solubility of hydrogen in the #beta#-phase would preclude the precipitation of hydrides in Beta titanium alloys, especially at low hydrogen pressures. However, depending on the hydrogen content, a shift in the ductile/brittle transition temperatures to levels much higher than room temperature has been reported for ...

1 2 3 4 5

Neutron irradiation effect on mechanical properties of metals after preliminary hardening

During this reporting period four direct coal liquefaction experiments have been completed and a fifth is underway. These experiments have produced conversion and selectivity data on samples of Utah coal slurried in tetralin and catalyzed using iron-titanium hydride. Hydrogen loading of the alloy, catalyst particle size, coal particle size, operating temperatures for alloy addition and liquefaction without the catalysts present, have all been studied during these four experiments. Conversions of 61% DAF in 30 min have been recorded at 485/sup 0/F and 520 psia. The fifth run using the same coal at a reduced particle size has begun, after which we will move to samples of Kentucky and Alabama coals. Equipment manufacture, delivery, and installation delays, totaling over 6 months, greatly reduced the time available for research, making a 6 month no cost extension necessary. The extended time will permit completion of the proposed research tasks. 4 figs., 4 tabs.

1985-06-18

Integrity assessment of pressure tubes for Wolsung unit 2

Some results on mechanical property study of copper and titanium subjected to impact load and next to neutron irradiation are presented. It was shown that shock wave influence involves a substantial shape change of the stress-strain diagram and of respective mechanical characteristics. Yield- and ultimate strength were substantially increased, as well as hardness with a considerable drop of plasticity. Also a heat stability of copper and titanium specimens was studied after being treated with shock-waves and neutron radiation. Results are given of electron microscope study of titanium structure sfter explosion hardening, which caused decomposition of hydride segregations in titanium and increased dislocation density.

First-principles studies of phase stability and the structural and dynamical properties of metal hydrides. Annual technical progress report, September 15, 1990--May 15, 1991

To improve operational safety of the fuel channel for Wolsung units the recommended primary heat transport system (PHTS) operating guidelines were developed, which provides a safe operation window in terms of pressure and temperature to maintain fuel channel integrity, which is similar to pressure-temperature curves used for primary pressure boundary integrity in PWRs and deterministic Leak-Before Break (LBB) analyses were conducted using recent understanding of delayed hydride cracking (DHC) mechanism. In addition, a comparative assessment of LBB analysis was made using the procedures of Fitness For Service Guidelines(FFSG) for pressure tubes rev. 0 and rev. 1.

1997-10-01

Electrocatalytic and hydridic theory for hydrogen electrode reactions and prediction of synergetic catalysts in the light of Fermi dynamics and structural bonding factors

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

1991-05-15

Effect of improved target designs on the "2"3"8Pu production at the Fast Flux Test Reactor

The Balandin type volcano plots have been considered for the main criterion both in catalysis and electrocatalysis to estimate their fundamental properties and optimal activity: ({alpha}) The ones, when some physical feature or catalytic activity itself is plotted usually along transition series, and ({beta}) The others, when catalytic activity arises as a function of some energetic property, the most usually of the adsorption enthalpy of intermediates bonding upon the substrate in the rate determining step (rds). 29 refs.

1998-07-01

Aspects of the contamination with oxygen in obtaining low enriched uranium fuel

This paper present the results of a series of calculations made to determine the "2"3"8Pu production potential of several advanced target assembly designs in the Fast Flux Test Facility (FFTF). These calculations show that by using advanced target designs the intimately mix the "2"3"7Np target material with an yttrium hydride moderator, the FFTF has the potential of producing up to 30 kg of high-quality "2"3"8Pu per year.

1991-11-10

Fuel cell program - Overview reports 2007; Programm Brennstoffzellen inkl. Wasserstoff - Ueberblicksberichte der BFE-Programmleiter 2007

The manufacturing of TRIGA fuel rods with low enriched uranium follows in principle the same route as high-enriched uranium. The high purity of the primary metals (uranium, zirconium and erbium) is important for determining the equilibrium metal-hydrogen phases. The impurities from the metal, on the surface and from hydrogen may have an important influence on the hydriding process. This paper presents the aspects of the fuel contamination with oxygen during the manufacturing process of the low enriched uranium fuel. The continuous control of the oxygen concentration in the working zone ensures avoidance of the accidental contamination. Key words: manufacturing, fuel, oxygen, contamination. (authors)

2009-10-12

Assessment of predictive models for the failure of titanium and ferrous alloys due to hydrogen effects. Report for the period of June 16 to September 15, 1981

This report for the Swiss Federal Office of Energy (SFOE) presents the overview reports made by SFOE Heads of Program on work done in 2007. Projects reported on in the natural gas-fired fuel cell area include the EU-project REAL-SFOC, the long-term testing of anode-supported SOFC stacks, intermediate-temperature fuel cells based on proton conducting electrolytes, the interdisciplinary ONEBAT project and lifetime-enhancement of SOFC stacks for CHP applications. In the polymer-electrolyte fuel cell (PEFC) area, projects concerning proton-conducting polymer membranes, factors limiting the lifetime of fuel cell membranes, a new highly active oxygen reduction electrode for PEM fuel cell and zinc/air battery applications, the enhancement of PEFC durability and reliability, model-based investigation of PEFC performance, and local gas analysis of PE fuel cells are briefly reported on. Long-term research activities in the hydrogen technology area reported on include those concerning the ...

2008-07-01

Surface analysis by Fourier-transform infrared (FTIR) spectroscopy

The 1977 version of the Simpson-Puls-Dutton model appears to be the most amenable with respect to utilizing known or readily estimated quantities. The Pardee-Paton model requires extensive calculations involving estimated quantities. Recent observations by Koike and Suzuki on vanadium support the general assumption that crack growth in hydride forming metals is determined by the rate of hydride formation, and their hydrogen atmosphere-displacive transformation model is of potential interest in explaining hydrogen embrittlement in ferrous alloys as well as hydride formers. The discontinuous nature of cracking due to hydrogen embrittlement appears to depend very strongly on localized stress intensities, thereby pointing to the role of microstructure in influencing crack initiation, fracture mode and crack path. The initiation of hydrogen induced failures over relatively short periods of time can be characterized with fair ...

1982-04-01

Studies of the fundamental nature of catalytic acidity, sites, and intermediates: Progress report for period August 1, 1987-July 31, 1988

A diffuse-reflectance capability for the Fourier transform infrared spectrometer at the Y-12 Plant Laboratory has been implemented. A sample cell with a 25 to 400/sup 0/C temperature-controlled sample stage and an ultrahigh-vacuum-to-atmospheric pressure gas-handling capability has been developed. Absorbance of light from the spectrometer beam, resulting from the beam being scattered from a powder sample, can be measured. This capability of detecting molecular species on and in powders is to be used to study chemisorption on actinide and rare-earth metals, alloys, and compounds. Cell design is described along with experiments demonstrating its performance in detecting moisture absorption on uranium oxide, moisture and carbon dioxide absorption on the lithium hydride/hydroxide system, and carbon dioxide absorption on potassium borohydride. 13 figures.

1981-08-12

Rankine-Brayton engine powered solar thermal aircraft

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.

1988-06-01

Preparation and dosimetry of radiotherapeutic particles for arthropaties; Preparacion y dosimetria de particulas radioterapeuticas para artropatias

A solar thermal powered aircraft powered by heat energy from the sun. A Rankine-Brayton hybrid cycle heat engine is carried by the aircraft body for producing power for a propulsion mechanism, such as a propeller or other mechanism for enabling sustained free flight. The Rankine-Brayton engine has a thermal battery, preferably containing a lithium-hydride and lithium mixture, operably connected to it so that heat is supplied from the thermal battery to a working fluid. A solar concentrator, such as reflective parabolic trough, is movably connected to an optically transparent section of the aircraft body for receiving and concentrating solar energy from within the aircraft. Concentrated solar energy is collected by a heat collection and transport conduit, and heat transported to the thermal battery. A solar tracker includes a heliostat for determining optimal alignment with the sun, and a drive motor actuating the solar concentrator into optimal alignment with the ...

2009-12-29

Passivation of uranium metal by radio-frequency plasma nitriding against gas phase (H{sub 2}, H{sub 2}O) corrosion

It was developed a new formulation of macro aggregates of Samarium 153 ({sup 153} Sm-MH) for the arthropaties treatment. The radio pharmaceutic was prepared by reaction of Samarium 153 chloride (SmCl{sub 3}) in aqueous environment with sodium boron hydride in NaOH 0.5 N. The microscopic analysis shown that the particles have an average size of 4% m (range 1-14 {mu} m). The velocity of sedimentation was 0.008 cm/min with high stability in vitro in human serum. The biological studies in healthy rabbits, shown that the complex is retained inside the articulation still eight days after of the administration of the radiopharmaceutical. Likewise, it is presented the data of absorbed dose in the different target organs, which was determined by thermoluminescent dosimetry (TLD) through the use of a REMCAL phantom (radiation equivalent manikin calibration). (Author)

1999-07-01

National technical report (Matsushita Electric Industrial Company), Vol. 40, No. 4, August 1994. Special issue on batteries

Thin passive layers of uranium nitride were formed by nitriding pure metallic uranium in non-equilibrium, low pressure radio-frequency plasma of nitrogen. Plasma nitriding at low substrate temperature of 230 C-250 C was found to cause the formation of adherent layers of uranium sesquinitride ({alpha}-U{sub 2}N{sub 3}) which provide a considerable protection against hydrogen attack. The characteristics of these passivation layers were determined by X-ray diffraction and Auger electron spectroscopy. The incipient hydriding kinetics of the plasma-treated samples were compared with those of untreated and nitrogen-ion implantation ones, utilizing a hot-stage microscope that was monitored continuously with a TV camera and videotape. (orig.)

1996-07-01

MOVPE growth of GaAs and InP based compounds in production reactors using TBAs and TBP

Contents: recent trend of battery technologies; alkaline manganese battery with no mercury addition; high capacity zinc-air battery series for hearing aids; characteristics of vanadium-niobium-lithium rechargeable battery; high-energy density lithium-ion rechargeable battery; lithium polymer rechargeable battery: polymer gel electrolyte and electrode; high-capacity ni-cd battery sm120; high-capacity nickel-metal hydride battery; sealed-type batteries for electric vehicles; high-temperature-durable calcium-type battery for automobiles; sealed lead acid batteries for upss; solar cell power unit; solid oxide fuel cell (1); battery management system.

1994-08-01

Hydrogen energy storage: hydrogen and oxygen storage subsystems

Today TBP and TBAs are the compounds which have the highest potential to replace the hydrides arsine and phosphine in the MOVPE process. The authors have demonstrated the entire material system Ga-In-As-P can be grown without any loss of quality using TBP and TBAs not only in one reactor, but in a complete family of reactors. These reactors range from small-scale single wafer R and D reactors to multiwafer Planetary Reactor systems. Both InP based and GaAs based materials could be grown with an excellent quality. Thus all growth processes for III-V devices--long and short wavelength lasers, LEDs, high speed transistors, etc.--can be switched to TBP and TBAs. This will drastically reduce safety hazards and lead to processes that have advantages both from the ecological and economical point of view.

1996-12-31

High pressure in situ diffraction studies of metal-hydrogen systems

Hydrogen seems to possess all the characteristics to store the excess of electrical energy produced during off-peak periods. Hydrogen energy storage plants could be environmentally non-polluting, easy to place, not sensible to load variation, unbounded in size, efficient and safe. These last two features seem to contradict one another. An option that could give a reliable solution is the storage of hydrogen in metal hydride and the storage of oxygen as a liquid. Such a choice is probably the safest one to make and allows the achievement of efficiencies comparable to those obtainable with gaseous storage of both electrolytic products. The power consumption for H{sub 2} and O{sub 2} storage is only 3% of the total energy stored and the charging ratio approaches the values obtained with hydro-pumped storage plants. (Author)

1997-12-31

British Library Electronic Table of Contents (United Kingdom)

''Hybrid'' hydrogen storage, where hydrogen is stored in both the solid material and as a high pressure gas in the void volume of the tank can improve overall system efficiency by up to 50% compared to either compressed hydrogen or solid materials alone. Thermodynamically, high equilibrium hydrogen pressures in metal-hydrogen systems correspond to low enthalpies of hydrogen absorption-desorption. This decreases the calorimetric effects of the hydride formation-decomposition processes which can assist in achieving high rates of heat exchange during hydrogen loading-removing the bottleneck in achieving low charging times and improving overall hydrogen storage efficiency of large hydrogen stores. Two systems with hydrogenation enthalpies close to -20kJ/mol H2 were studied to investigate the h...

2011-01-01

Effect of seven antibiotics on the growth and reproduction of Heliothis subflexa X H. virescens interspecific hydrids and backcross males

Direct coal liquefaction using iron-titanium hydride as a hydrogen distribution and catalytic material. Quarterly report No. 2, December 1, 1984-February 28, 1985

To test the hypothesis that a maternally transmitted cytoplasmic microorganism is involved in male hybrid sterility found in H. subflexa (Guenee) X H. virescens (F.) hybrid and backcross progeny, we reared H. subflexa, hybrids and backcross progeny on larval diets containing high concentrations of tetracycline, penicillin G, chloramphenicol, ampicillin, gentamicin, rifampin, and 5-iodo-2'-deoxyuridine. The insects tolerated relatively high concentrations (from 120 mg/liter to 6 g/liter) of antibiotics in the larval diet and showed virtually no changes in larval or pupal developmental time, adult lifespan, or fertility. Hybrid and backcross males reared on such adulterated diets were as sterile as those reared on conventional diets.

1981-09-01

Development of technology on the material surveillance of CANDU pressure tubes

During this reporting period the experimental apparatus was completed after substantial delays by the manufacturer. The equipment has been fully tested to familiarize the staff with its operating and safety procedures. An initial liquefaction study has begun on samples of Utah coal (60 microns or less) using 50 grams of iron-titanium alloy, 500 ml of tetralin, and 150 grams of powdered coal at 500/sup 0/F and 500 psig. Results will be available in the next quarterly report. A new researcher has been added to the project to address the hydrogen absorption of new and recycled alloy samples. 2 figs.

1985-03-28

1 2 3 4 5

Investigation of the hydrogen desorption properties of Mg + 10 wt.%X (X V, Y, Zr) submicrocrystalline composites

Material degradation of pressure tubes, which are the most important components in CANDU fuel channel, can only be evaluated by removing and examining them(material surveillance). This study aimed at establishment of overall evaluation technology including the evaluation of the material degradation for the integrity of pressure tubes of Wolsung units. Material tests for pressure tubes were performed as follows; (1) Evaluation on life limiting factors of pressure tubes (2) Review on leak-before-break and integrity maintenance technology of pressure tubes (3) Survey on selection criteria for tubes to be inspected and on related regulations for material surveillance (4) Analysis of material surveillance test procedure (5) Basic examinations of Wolsung unit 1 pressure tube material(TEM, texture, chemical component etc) (6) Manufacture of test equipments and test (DHCV, hydriding, grip and tensile specimen etc). 23 figs, 6 tabs, 59 refs. (Author).

1997-05-21

First-principles study of the micro-arrangement of hydrogen atoms and electronic properties of LaNi_5H_x (x: 0.5-7)

The effects of catalytic metal additives on the hydrogen desorption properties of the submicrocrystalline magnesium hydride (#beta#-MgH_2) formed after hydrogenation of the Mg + 10 wt.%X (X = V, Y, Zr) mechanically (ball) milled composites were studied. The composites with catalytic metals were processed by controlled mechanical milling (CMM) in the magneto-mill Uni Ball Mill 5 under protective Ar atmosphere. X-ray diffraction of the milled powders revealed the formation of Mg nanograins (50-60 nm range) interdispersed with the nanograined metal additives within the powder particles. Scanning electron microscopy showed particle size reduction after milling. After activation and hydrogenation in a Sieverts-type apparatus under about 2 MPa pressure of hydrogen, the tetragonal #beta#-MgH_2 hydride co-exists with the small amount of retained unreacted Mg phase and the small amount of MgO in all three composites. The #beta#-MgH_2 phase after ...

2006-04-13

Chemical and electrochemical dehydriding characteristics of TiV{sub 2.1}Ni{sub 0.3}-Raney Ni composite prepared by ball-milling in the presence of a reducing agent

The micro-arrangement of hydrogen atoms and the electronic properties of hydrides LaNi_5H_x (0.5, 1.0, 2.0, 3.0, 4.0, 5.0, 6.0, 7.0) have been systematically investigated by means of the density functional theory using the full-potential linearized augmented plane wave (FLAPW) method with the generalized gradient approximation (GGA). The calculated results indicate that H atoms prefer to occupy the 12n site in the #alpha# solid solution phase. For the #beta# phase, once the first H atom locates in the basal plane (12n site), and because it is difficult for the second H atom to still locate in the 12n site, the second H atom would prefer to occupy the middle plane site (6m site). When the number of H atoms increases from 3 to 5, they would occupy the other 12n and 6m sites by turns. Furthermore, our optimized data indicate that the structures P3 and P63mc are the most favorable structures of LaNi_5H_6 and LaNi_5H_7, respectively. From the analysis of the densities ...

2008-07-01

Chemical and electrochemical dehydriding characteristics of TiV_2_._1Ni_0_._3-Raney Ni composite prepared by ball-milling in the presence of a reducing agent

Composite particles represented as TiV{sub 2.1}Ni{sub 0.3}-Raney Ni(R) were prepared by ball-milling a TiV{sub 2.1}Ni{sub 0.3} alloy with Raney Ni in the presence of 0.01 M sodium hypophosphite (NaH{sub 2}PO{sub 2}) aqueous solution as a reducing agent. The composite particles had different morphology from original TiV{sub 2.1}Ni{sub 0.3} alloy particles and TiV{sub 2.1}Ni{sub 0.3}-Raney Ni composite particles prepared by the ball-milling in the absence of the NaH{sub 2}PO{sub 2} aqueous solution. In charge-discharge cycle tests, the TiV{sub 2.1}Ni{sub 0.3}-Raney Ni(R) composite electrode showed the maximum discharge capacity of 620 mAh g{sup -1}, while its cycle durability was similar to the TiV{sub 2.1}Ni{sub 0.3} alloy electrode, which was explained from depth profiles of constituent elements by Auger electron spectroscopy (AES). In thermogravimetry (TG) and differential thermal analysis (DTA), two steps of dehydriding for hydrided TiV{sub 2.1}Ni{sub 0.3}-Raney ...

2004-02-25

Analysis of ZPPR experiments supporting production of "6"0Co in FFTF

Composite particles represented as TiV_2_._1Ni_0_._3-Raney Ni(R) were prepared by ball-milling a TiV_2_._1Ni_0_._3 alloy with Raney Ni in the presence of 0.01 M sodium hypophosphite (NaH_2PO_2) aqueous solution as a reducing agent. The composite particles had different morphology from original TiV_2_._1Ni_0_._3 alloy particles and TiV_2_._1Ni_0_._3-Raney Ni composite particles prepared by the ball-milling in the absence of the NaH_2PO_2 aqueous solution. In charge-discharge cycle tests, the TiV_2_._1Ni_0_._3-Raney Ni(R) composite electrode showed the maximum discharge capacity of 620 mAh g"-"1, while its cycle durability was similar to the TiV_2_._1Ni_0_._3 alloy electrode, which was explained from depth profiles of constituent elements by Auger electron spectroscopy (AES). In thermogravimetry (TG) and differential thermal analysis (DTA), two steps of dehydriding for hydrided TiV_2_._1Ni_0_._3-Raney Ni(R) composite started from much lower temperature than ...

2004-02-25

Spectroscopic characterization and temporal dynamics of energy transfer process between Tm{sup 3+} -Ho{sup 3+} and Yb{sup 3+} -Tm{sup 3+} ions in LiYF{sub 4} and LiLuF{sub 4} crystals; Caracterizacao espectroscopica e dinamica temporal dos processos de transferencia de energia entre os ions Tm{sup 3+} -Ho{sup 3+} e Yb{sup 3+} -Tm{sup 3+} em cristais de LiYF{sub 4} and LiLuF{sub 4}

An effort to expand the irradiation mission of the Fast Flux Test Facility (FFTF) beyond testing fuels and materials for the liquid-metal reactor (LMR) program included a study of the feasibility of producing commercial quantities of "6"0Co. The "6"0Co would be produced by neutron capture in assemblies containing an array of natural cobalt pins and hydrogen-bearing moderator pins located at the periphery of the FFTF core. Adding hydrogenous material to the assemblies enhances "6"0Co production by slowing neutrons into energy ranges where the "5"9Co capture cross section is higher. Some of the moderated neutrons leak from the moderated region to adjacent fuel regions, increasing local fission rates. In order to validate calculated fission rates and establish calculational biases and uncertainties, experiments were conducted in the zero-power plutonium reactor (ZPPR) to measure fission rates in fuel regions adjacent to a mock-up of a cobalt production assembly. The ZPPR experiment and ...

1987-06-07

The solubility of hydrogen and deuterium in crystalline Pd{sub 9}Si{sub 2}

In this work, we perform spectroscopic studies to characterize the energy transfer processes occurring in rare-earth doped lithium fluoride systems, aiming the optimization of the population inversion of these media. Yb{sup 3+} ion was used in order to probe the electron-phonon coupling in LiYF{sub 4}, LiGdF{sub 4} and LiLuF{sub 4} matrices. In these systems it was obtained the average phononenergy, the vibronic transition probability and Huang-Rhys coupling constant. These parameters are dependent on the crystal host and the LiLuF{sub 4} system presents excluded correlation effects, an electronic repulsion that weakens the vibronic coupling. The Tm:Ho:LiYF{sub 4} system was studied under diode laser pumping at 796 nm, aiming the 2 {mu}m emission optimization. The ideal conditions of concentration and laser power were determined favouring the latter emission. Upconversion processes of two photons were identified besides the energy transfer among ions. The dynamic processes of ...

2001-07-01

Specific adsorption of arsenic and humic acid on Pt and PtO films

Isotherms have been measured for H(D){sub 2}(g) solution in crystalline Pd{sub 9}Si{sub 2} in the temperature range from 235 to 373 K. The solubilities are significant, e.g., at 1.0 MPa (298 K), (H/Pd) = 0.052 or Pd{sub 9}Si{sub 2}H{sub 0.47}, however, there is no indication of hydride phase formation even down to 235 K at 1.0 MPa. The thermodynamic values for hydrogen solutions at infinite dilution of hydrogen are {Delta}H{degrees}{sub H}= -11.9 kJ/mole {1/2}H{sub 2} and {Delta}S{degrees}{sub H} = -50 J/K mole {1/2}H{sub 2}. The former is more negative than for Pd-H{sub 2} and the latter is somewhat more positive; but generally the values are not that different from Pd-H{sub 2}. The isotope effect is similar to that found for Pd-H(D){sub 2}.

1995-11-15

Solar photochemistry and heterogeneous photocatalysis

A study of specific adsorption of arsenic (As) and humic acid (HM) onto Pt and PtO films using cyclic voltammetry and cyclic massogram in 0.5-M H_2SO_4 is presented, which may serve as an alternative to studies involving specific adsorption of these species on soil minerals. Adsorption of As is normally evaluated by conducting batch adsorption experiments, followed by analysis using hydride-generation atomic absorption spectrophotometry (HGAA) or inductively coupled plasma-optical emission spectrometry (ICP-OES). We found that specific adsorption of As and HM depends both on the surface and on these species present in the adsorption solution. HM does not desorb previously adsorbed As at the HM concentrations used in the present study, but it does co-adsorb with As from a 1 x 10"-"6-M aqueous solution of As_2O_3 containing 1 mg of carbon L"-"1 HM. Arsenic adsorbs strongly on Pt in the presence of HM or during sequential specific adsorption with HM.

2010-07-01

Reactions of 3-methylpentane and 2,3-dimethylbutane on aluminosilicate catalysts

The search for alternative energy supplies continues since the oil crisis of 1973. One energy vector is dihydrogen, H_2. Of the group VI hydrides, water has been the focus of most studies in harnessing solar energy and generating H_2. Two basic photochemical strategies have been employed: molecular photocatalytic systems, and semiconductor based photocatalytic systems. The results have not met with the euphoric expectations of the mid-1970's because of the difficulties encountered in H_2O splitting (E"0 S"2 "-/S = + 0.51 eV, NHE) is another vehicle tapped as a potential source of H_2. Heterogeneous photocatalysis utilizing semiconductor particulates and sunlight as the photon source has been successful with interesting quantum efficiencies. To this end, novel photocatalytic devices have been developed; one of these uses two coupled semiconductors to achieve vectorial displacement of the photogenerated reducing and oxidizing equivalents. An important area in which ...

Mineralogical study of borehole MW-206 Asarco smelter site, Tacoma, Washington

Catalytic reactions of 3-methylpentane and 2,3-dimethylbutane on HY, amorphous silica-alumina, and HZSM-5 have been studied at 500{degree}C. Both kinetic phenomena and product selectivities have been reported. Cracking reactions an HZSM-5 can be attributed to initiation through protonation occurring at Bronsted sites. Bimolecular processes leading to chain reaction via hydride transfer are restricted within the narrow pore pentasil zeolite. On HY and amorphous silica-alumina, initiation of cracking also occurs at Bronsted sited. No direct evidence was found for participation of Lewis acid sites on the catalyst framework itself. Following initiation, reactions on these catalysts are accelerated through a chain process occurring at Lewis sites generated by adsorption of product olefins at Bronsted sites. The resulting change in the dominant cracking mechanism is reflected in the product selectivity, illustrated here by a falling off in formation of molecular hydrogen ...

1990-12-01

Intersociety energy conversion engineering conference, 20th, Miami Beach, FL, August 18-23, 1985, Proceedings. Volumes 1, 2, and 3

The mobility of metals in ground water is an important consideration for evaluating remedial options at the Asarco smelter site. Tacoma, Washington. One factor in assessing metal mobility is the degree of secondary mineralization in a slag-fill aquifer extending into the intertidal zone along the Puget Sound shoreline. Samples of aquifer material were collected for mineralogical analysis from borehole MW-206 at five-foot intervals within the slag fill from 5 to 25 feet below the ground surface, and in the underlying marine sand and gravel at 27 feet. Grab samples of slag fragments with visually apparent secondary minerals were also collected at five intermediate depths between 12 and 19 feet. Samples were analyzed by a variety of techniques including hydride generation/atomic absorption for arsenic concentration, scanning electron microscopy/electron microprobe for mineralogical texture and microanalysis, powder x-ray diffraction for mineral identification, and ...

1998-10-01

Heat capacities between 1.5 and 16 K and superconductivity of V/H and Nb/H alloys

Topics related to aerospace power are discussed, taking into account trends and issues of military space power systems technology, space station power system advanced development, the application and use of nuclear power for future spacecraft, the current status of advanced solar array technology development, the application of a parabolic trough concentrator to space station power needs, life test results of the Intelsat-V nickel-cadmium battery, and metal hydride hydrogen storage in nickel hydrogen batteries. Other subjects explored are concerned with alternative fuels, biomass energy, biomedical power, coal gasification, electric power cycles, and electric propulsion. Attention is given to an advanced terrestrial vehicle electric propulsion systems assessment, fuel cells as electric propulsion power plants, a sinewave synthesis for high efficiency dc-ac conversion, steam desulfurization of coal, leadless transfer of energy into the body to power implanted blood ...

1985-08-18

Chemistry and morphology of coal liquefaction. Quarterly report, January 1-March 30, 1981

Molar heat capacities have been measured for VHsub(n) and NbHsub(n) with n up to 1.93 at temperatures between 1.5 and 16 K. The height of the peak in plots of the electronic specific heat, indicating superconductivity, diminishes with increasing hydrogen content in the #alpha# + #beta# two-phase region, and can be taken as a measure of the fractional amount of #alpha#-phase present (lever-rule). In NbHsub(n) accordingly, the two-phase region presumably extends up to n = approximately 0.9 at helium temperatures. No hydride phase, including VH_2 and NbH_2, showed superconductivity above 1.5 K. The measured #gamma#-coefficients of the V/H-alloys agree with APW band-structure calculations for V metal in the range 5 =< nsub(e) =< 7 of band electron concentration. They coincide with the #gamma#-coefficients of V/Cr-alloys reported in the literature. Hence VHsub(n) represents another example of the 'shifting bands' concept developed recently for PdHsub(n). (author).

1977-05-01

ANL`s electric vehicle battery activities for USABC. Progress report, April--September 1992

In the course of observing by means of Auger spectroscopy graphite gasification reactions catalyzed by metals, it has been found that in the presence of hydrogen, nickel appears to diffuse from the surface into the bulk of the graphite. When potassium is deposited on graphite, it is volatilized above 400/sup 0/C. Surprisingly the production of methane and carbon dioxide from the reaction of graphite and steam was catalyzed by potassium at as low a temperature as 250/sup 0/C. It has been shown that literature on the alkylation of benzene with synthesis gas is erroneous and that the products reported are due to Lewis acid catalyzed cracking of benzene. A novel cobalt mediated, reversible cleavage of a vinyl-hydrogen bond has been discovered. All products from the thermal decomposition of tetralin have been identified. The stereochemistry of cis-1, 2 dihydrotetralin was determined. In the utilization of the water gas shift reaction as a reducing agent for model coal compounds it has been ...

1981-03-01

ANL's electric vehicle battery activities for USABC. [US Advanced Battery Consortium (USABC)

The Electrochemical Technology Program at Argonne National Laboratory (ANL) provides advanced battery R&D; technology transfer to industry; technical analyses, assessments, modeling, and databases; and independent testing and post-test analyses of advanced batteries. These capabilities and services are being offered to the US Advanced Battery Consortium (USABC) and Cooperative Research and Development Agreements (CRADA) are being negotiated for USABC-sponsored work at ANL. A small portion of DOE`s cost share for USABC projects has been provided to ANL to continue R&D and testing activities on key technologies that were previously supported directly by DOE. This report summarizes progress on these USABC projects during the period of April I through September 30, 1992. In this report, the objective, background, technical progress, and status are described for each task. The work is organized into the following task areas: 1.0 Lithium/Sulfide Batteries; 2.0 Nickel/Metal ...

1992-12-31

A techno-economic analysis of infrastructure issues. Centralized versus distributed hydrogen production

The Electrochemical Technology Program at Argonne National Laboratory (ANL) provides advanced battery R D; technology transfer to industry; technical analyses, assessments, modeling, and databases; and independent testing and post-test analyses of advanced batteries. These capabilities and services are being offered to the US Advanced Battery Consortium (USABC) and Cooperative Research and Development Agreements (CRADA) are being negotiated for USABC-sponsored work at ANL. A small portion of DOE's cost share for USABC projects has been provided to ANL to continue R D and testing activities on key technologies that were previously supported directly by DOE. This report summarizes progress on these USABC projects during the period of April I through September 30, 1992. In this report, the objective, background, technical progress, and status are described for each task. The work is organized into the following task areas: 1.0 Lithium/Sulfide Batteries; 2.0 Nickel/Metal ...

1992-01-01

Rare earth metal rich magnesium compounds RE4NiMg (RE=Y, Pr-Nd, Sm, Gd-Tm, Lu)-Synthesis, structure, and hydrogenation behavior

The conversion of off-peak surplus electricity into peak electricity through an electrolyzer, hydrogen storage, and fuel cell energy storage system was discussed. Development efforts in high pressure alkaline electrolysis and Proton-Exchange Membrane (PEM) fuel cells have improved the near-term viability of these systems. Potential use of wind turbines and other renewable energy-based generation systems, through hydrogen-based energy storage, were discussed as a new supply of surplus electricity. An integrated set of nomographs were presented for providing quick estimates of peak electricity costs derived from an electrolyzer/hydrogen fuel cell system. The nomographs allowed first order cost comparisons of centralized versus distributed hydrogen energy systems considering trade-offs between production economies of scale and hydrogen storage and transport costs. Use of the nomographs to compare centralized and dispersed systems was demonstrated. Results showed that all else being equal, ...

1995-06-01

Rare-earth doped (#alpha#'/#beta#')-sialon ceramics

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

2009-02-01

Synthesis of (methine- sup 3 H)DDT and its nitro-analog, and isotope effects in their enzyme-catalyzed dehydrochlorination

The objectives of this research were to investigate the possibility of controlling the #alpha#'/#beta#' phase ratio and morphology in Sialon ceramics. These objectives have been sought by the control of the starting composition, and by post sintering heat treatment. The main emphasis has been on the production of a series of #alpha#' and (#alpha#'+#beta#') Sialon ceramics with a minimum amount of the glass phase by the pressureless sintering technique and using ytterbium (Yb) as an #alpha#' stabilising element. The Yb additions were made via the oxide or the alumino- silicate presynthesised glass; the latter was found to improve the density. The XRD analysis of the as sintered materials revealed #alpha#' to be the dominant phase with minor contributions from #beta#' sialon and/ or 12H A1N polytype. Additions of SiO_2 or #beta#-Si_3N_4 were made to various materials to assess potential mechanisms for obtaining control over the microstructural development of ...

1 2 3 4 5

Structures of trihydroxynaphthalene reductase-fungicide complexes: implications for structure-based design and catalysis

(methine-{sup 3}H)1,1-Di-(4-chlorophenyl)-2,2,2-trichloroethane ((methine-{sup 3}H)DDT) and its di-(4-nitrophenyl) analog, both of high purity with a moderately high specific activity were prepared. Chloro-benzene was condensed with (1-{sup 3}H)1-(4-chlorophenyl)-2,2,2-trichloro-ethanol, which has been synthesized by sodium boro({sup 3}H)hydride reduction of 4-chlorophenyl trichloromethyl ketone. The purified ({sup 3}H)DDT had a specific activity of 0.77 Ci/mmol (28.49 GBq/mmol). (methine-{sup 3}H)1,1-Diphenyl-2,2,2-trichloroethane was similarly synthesized and was nitrated to give (methine-{sup 3}H)1,1-di-(4-nitrophenyl)-2,2,2-trichloro-ethane of 1.63 Ci/mmol (60.31 GBq/mmol). Dehydrochlorination with housefly enzyme (glutathione-dependent DDT dehydrochlorinase) showed a remarkable isotope effect. For DDT, the observed tritium isotope effect on V{sub max}/K{sub m} was 11.51{plus minus}0.52. For the nitro-analog, the value was 11.3{plus minus}1.2. We measured ...

1989-08-01

Processing of LiBH{sub 4} from its elements by ball milling method

Trihydroxynaphthalene reductase catalyzes two intermediate steps in the fungal melanin biosynthetic pathway. The enzyme, a typical short-chain dehydrogenase, is the biochemical target of three commercial fungicides. The fungicides bind preferentially to the NADPH form of the enzyme. Three X-ray structures of the Magnaporthe grisea enzyme complexed with NADPH and two commercial and one experimental fungicide were determined at 1.7 {angstrom} (pyroquilon), 2.0 {angstrom} (2,3-dihydro-4-nitro-1H-inden-1-one, 1), and 2.1 {angstrom} (phthalide) resolutions. The chemically distinct inhibitors occupy similar space within the enzyme's active site. The three inhibitors share hydrogen bonds with the side chain hydroxyls of Ser-164 and Tyr-178 via a carbonyl oxygen (pyroquilon and 1) or via a carbonyl oxygen and a ring oxygen (phthalide). Active site residues occupy similar positions among the three structures. A buried water molecule that is hydrogen bonded to the NZ nitrogen of Lys-182 ...

2010-03-08

New materials for batteries and fuel cells. Materials Research Society symposium proceedings, Volume 575

Investigations of alternative renewable energy resources continue, with many studies concentrating on hydrogen storage. However, there are a few problems such as storage, transportation, delivery to the user and usage safely, to be addressed to facilitate commercialization and wide usage of the hydrogen. The absorbed form within the metal hydrides seems to be the best solution of this problem. Since Li is the lightest metal, it has the advantage as the stored amount of hydrogen mass ratio. LiBH{sub 4} production process was investigated using elemental Li, B and H{sub 2}. Spex type ball milling with tungsten carbide, stainless steel and zirconia type vessels, was used to mix the different amount of Li and B under argon atmosphere. X-ray diffraction pattern demonstrated that the LiB was obtained. A system was designed to provide a hydrogen atmosphere of 60 bars to force hydrogen into the LiB structure. FTIR analysis strongly indicated the LiBH{sub 4} compound when ...

2008-11-15

New electric-vehicle batteries

This proceedings volume is organized into seven sections that reflect the materials systems and issues of electrochemical materials R and D in batteries, fuel cells, and capacitors. The first three parts are largely devoted to lithium ion rechargeable battery materials since that electrochemical system has received much of the attention from the scientific community. Part 1 discusses cathodes for lithium ion rechargeable batteries as well as various other battery systems. Part 2 deals with electrolytes and cell stability, and Part 3 discusses anode developments, focusing on carbon and metal oxides. Part 4 focuses on another rechargeable system that has received substantial interest, nickel/metal hydride battery materials. The next two parts discuss fuel cells--Part 5 deals with Proton Exchange Membrane (PEM) fuel cells, and Part 6 discusses oxide materials for solid oxide fuel cells. The former has the benefit of operating around room temperature, whereas the ...

2000-07-01

Investigations into the corrosion resistance of copper aluminium alloys. Effect of phosphorus as corrosion resistant third alloying element in the ternary system CuAl20P1

Electric vehicles that can`t reach trolley wires need batteries. In the early 1900`s electric cars disappeared when owners found that replacing the car`s worn-out lead-acid battery costs more than a new gasoline-powered car. Most of today`s electric cars are still propelled by lead-acid batteries. General Motors` Impact, for example, uses starting-lighting-ignition batteries, which deliver lots of power for demonstrations, but have a life of less than 100 deep discharges. Now promising alternative technology has challenged the world-wide lead miners, refiners, and battery makers into forming a consortium that sponsors research into making better lead-acid batteries. Horizon`s new bipolar battery delivered 50 watt-hours per kg (Wh/kg), compared with 20 for ordinary transport-vehicle batteries. The alternatives are delivering from 80 Wh/kg (nickel-metal hydride) up to 200 Wh/kg (zinc-bromine). A Fiat Panda travelled 260 km on a single charge of its zinc-bromine ...

1994-12-31

Compressed hydrogen fuelled vehicle at ENEA: Status and development

The effect of phosphorus on the corrosion resistance of Al-bronzes is studied in detail in this work. A literature review showed that there are a lot of things known about the microstructure and the mechanical properties of Al-bronzes. In spite of their corrosion resistance the corrosion properties and the structure of the protective oxide films of Al-bronzes were seldom a matter of interest. Systematic studies of the influence of different alloying elements on the oxide film and the corrosion properties are rare. Therefore, it is not possible to predict the corrosion resistance of Al-bronzes, made by alloying particular elements. The high corrosion resistance of the new alloy CuAl_2_0P_1 was the reason to investigate the influence of phosphorus on the corrosion properties of Al-bronzes in more detail. A systematic study of the microstructure and the corrosion properties of Cu, CuP_x, CuAl_2_0 and CuAl_2_0P_x offers an insight into the effect of aluminium and phosphorus on the ...

Chemistry of transuranium elements and compounds

The world's 500 million road vehicles using internal combustion engines account for roughly half of global oil consumption and, in Italy, for about 50% of all nitrogen oxide and 90% of carbon monoxide emissions. In efforts to conserve petroleum reserves and reduce air pollution, research programs are being conducted to develop hydrogen fueled automotive engines. Hydrogen combustion products are carbon dioxide free, and when burned with a large excess of air, this fuel produces water vapour and only small amounts of nitrogen oxides. Hydrogen fueled vehicles can be made to operate in a dual fuel mode so as to allow the use of petrol or diesel fuel in travel over long distances. Currently, because technical and economic difficulties relevant to hydrogen fuel storage limit driving range and payload (there are bulk and weight problems in compressed gas and metal hydride storage systems, and cost problems in cryogenic storage), only limited research programs are being ...

1993-06-22

A systematic neutron reflectometry study on hydrogen absorption in thin Mg{sub 1-x}Al{sub x} alloy films

Studies are made in this program to enhance our understanding of the role of 5f electrons in chemical bonding. Most of our studies on the macroscopic scale emphasize certain isotopes available from the National Transplutonium Production Program centered at HFIR/TRU -namely, _9_6"2"4"8Cm, _9_7"2"4"9Bk, _9_8"2"4"9Cf, _9_9"2"5"3Es, and _9_9"2"5"4Es. Particular classes of compounds, such as hydrides, chalcogenides, and pnictides are often selected for study on the basis of their utility in bringing out significant chemical differences between the lanthanides and the actinides. High temperature/high pressure experiments on actinide metals and compounds reveal characteristics about the degree of 5f electron localization as a function of atomic number in the series. Magnetic properties of metals and compounds are investigated using ultra-sensitive methods and hydration numbers of ions in solution are investigated by neutron scattering at HFIR. As a result of a recently ...

1986-05-01

Improved hydrogen sorption kinetics in wet ball milled Mg hydrides

Various methods for storing hydrogen have been examined in an effort to find ways to store hydrogen in increasingly smaller volumes with decreasing weight of the whole hydrogen storage system. Metal hydrides, in which hydrogen is chemically bound to a metal atom, are considered to be very promising candidates for hydrogen storage because they have high gravimetric and volumetric storage capacities. This study investigated the effect of different magnesium (Mg) and aluminium (Al) ratios on the absorption and desorption properties of thin films. Neutron reflectometry (NR) was used in this study to better understand the absorption and desorption properties of commercially promising hydrogen storage materials. The large negative scattering length of hydrogen atoms changes the reflectivity curve substantially, so that NR can determine the total amount of stored hydrogen as well as the hydrogen distribution along the film normal, with nanometer resolution. In order to ...

2010-10-15

Hydrogen storage in nano-structured carbon materials

In this work, wet ball milling method is used in order to improve hydrogen sorption behaviour due to its improved microstructure of solid hydrogen materials. Compared to traditional ball milling method, wet ball milling has benefits on improvement of MgH{sub 2} microstructure and further influences on its hydrogen sorption behavior. With the help of solvent tetrahydrofuran (THF), wet ball milled MgH{sub 2} powder has much smaller particle size and its specific surface area is 7 times as large as that of dry ball milled MgH{sub 2} powder. Although after ball milling the grain size is decreased a lot compared to as-received MgH{sub 2} powder, the grain size of wet ball milled MgH{sub 2} powder is larger than that of dry ball milled MgH{sub 2} powder due to the lubricant effect of solvent THF during wet ball milling. The improved particle size and specific surface area of wet ball milled MgH{sub 2} powder is found to be determining its hydrogen sorption kinetics especially at relatively ...

2011-05-04

Hydrogen storage in nano-structured carbon materials

Full text of publication follows: Energy and environment are two major concerns in our modern society due to the coming shortage in fossil energy sources and the growing of greenhouse gas emissions. The challenge for the coming years is to discover new energy resources and to develop devices that are compatible with a sustainable development and generate few (or zero) emission. One of these devices is the fuel cell feed by hydrogen, whose application fields are very large. In particular, the proton exchange membrane fuel cell (PEMFC) is the most realistic device for automotive application. However, hydrogen storage remains one of the most important challenges regarding its development. Although different techniques are available for storing hydrogen, no ideal solution has been found yet. Compression needs elaborated tanks in shape for supporting high pressures, liquefaction requires an expensive hydrogen cooling and adapted tanks. Chemical storage by hydrides ...

2005-07-01

A dinuclear Ni(I) system having a diradical Ni2N2 diamond core resting state: synthetic, structural, spectroscopic elucidation, and reductive bond splitting reactions.

2005-07-01

7. Kassel symposium on energy systems technology: Renewable energy sources and efficient utilization of energy; 7. Kasseler Symposium Energie-Systemtechnik: Erneuerbare Energien und rationelle Energieverwendung

One-electron reduction of the square-planar nickel precursor (PNP)NiCl ( 1) (PNP (-) = N[2-P(CHMe 2) 2-4-methylphenyl] 2) with KC 8 effects ligand reorganization of the pincer ligand to assemble a Ni(I) dimer, [Ni(mu 2-PNP)] 2 ( 2), containing a Ni 2N 2 core structure, as inferred by its solid-state X-ray structure. Solution magnetization measurements are consistent with a paramagnetic Ni(I) system likely undergoing a monomer dimer equilibrium. The room-temperature and 4 K solid-state X-band electron paramagnetic resonance (EPR) spectra display anisotropic signals. Low-temperature solid-state X-band EPR data at 4 K reveal rhombic values g z = 1.980(4), g x = 2. 380(4), and g y = 2.225(4), as well as a forbidden signal at g = 4.24 for the Delta M S = 2 half field transition, in accord with 2 having two weakly interacting metal centers. Utilizing an S = 1 model, full spin Hamiltonian simulation of the low-temperature EPR spectrum on the solid sample was achieved by applying a nonzero ...

2008-10-15