Thermal decomposition of titanium deuteride thin films

International Nuclear Information System (INIS)

Malinowski, M.E.

1983-01-01

The thermal desorption spectra of deuterium from essentially clean titanium deuteride thin films were measured by ramp heating the films in vacuum; the film thicknesses ranged from 20 to 220 nm and the ramp rates varied from 0.5 to about 3 0 C s - 1 . Each desorption spectrum consisted of a low nearly constant rate at low temperatures followed by a highly peaked rate at higher temperatures. The cleanliness and thinness of the films permitted a description of desorption rates in terms of a simple phenomenological model based on detailed balancing in which the low temperature pressure-composition characteristics of the two-phase (α-(α+#betta#)-#betta#) region of the Ti-D system were used as input data. At temperatures below 340 0 C the model predictions were in excellent agreement with the experimentally measured desorption spectra. Interpretations of the spectra in terms of 'decomposition trajectories'' are possible using this model, and this approach is also used to explain deviations of the spectra from the model at temperatures of 340 0 C and above. (Auth.)

Damage evaluation of proton irradiated titanium deuteride thin films to be used as neutron production targets

Science.gov (United States)

Suarez Anzorena, Manuel; Bertolo, Alma A.; Gagetti, Leonardo; Gaviola, Pedro A.; del Grosso, Mariela F.; Kreiner, Andrés J.

2018-06-01

Titanium deuteride thin films have been manufactured under different conditions specified by deuterium gas pressure, substrate temperature and time. The films were characterized by different techniques to evaluate the deuterium content and the homogeneity of such films. Samples with different concentrations of deuterium, including non deuterated samples, were irradiated with a 150 keV proton beam. Both deposits, pristine and irradiated, were characterized by optical profilometry and scanning electron microscopy.

Shock compression experiments on Lithium Deuteride (LiD) single crystals

Science.gov (United States)

Knudson, M. D.; Desjarlais, M. P.; Lemke, R. W.

2016-12-01

Shock compression experiments in the few hundred GPa (multi-Mbar) regime were performed on Lithium Deuteride single crystals. This study utilized the high velocity flyer plate capability of the Sandia Z Machine to perform impact experiments at flyer plate velocities in the range of 17-32 km/s. Measurements included pressure, density, and temperature between ˜190 and 570 GPa along the Principal Hugoniot—the locus of end states achievable through compression by large amplitude shock waves—as well as pressure and density of reshock states up to ˜920 GPa. The experimental measurements are compared with density functional theory calculations, tabular equation of state models, and legacy nuclear driven results that have been reanalyzed using modern equations of state for the shock wave standards used in the experiments.

Solubility of lithium deuteride in liquid lithium

International Nuclear Information System (INIS)

Veleckis, E.; Yonco, R.M.; Maroni, V.A.

1977-01-01

The solubility of LiD in liquid lithium between the eutectic and monotectic temperatures was measured using a direct sampling method. Solubilities were found to range from 0.0154 mol.% LiD at 199 0 C to 3.32 mol.% LiD at 498 0 C. The data were used in the derivation of an expression for the activity coefficient of LiD as a function of temperature and composition and an equation relating deuteride solubility and temperature, thus defining the liquidus curve. Similar equations were also derived for the Li-LiH system using the existing solubility data. Extrapolation of the liquidus curves yielded the eutectic concentrations (0.040 mol.% LiH and 0.035 mol.% LiD) and the freezing point depressions (0.23 0 C for Li-LiH and 0.20 0 C for Li-LiD) at the eutectic point. The results are compared with the literature data for hydrogen and deuterium. The implications of the relatively high solubility of hydrogen isotopes in lithium just above the melting point are discussed with respect to the cold trapping of tritium in fusion reactor blankets. (Auth.)

The preparation of Zr-deuteride and phase stability studies of the Zr-D system

Energy Technology Data Exchange (ETDEWEB)

Maimaitiyili, T., E-mail: tuerdi.maimaitiyili@mah.se [Materials Science and Applied Mathematics, Malmö University, Nordenskiöldsgatan 1, 20506 Malmö (Sweden); Steuwer, A. [Nelson Mandela Metropolitan University, Gardham Avenue, 6031 Port Elizabeth (South Africa); Bjerkén, C.; Blomqvist, J. [Materials Science and Applied Mathematics, Malmö University, Nordenskiöldsgatan 1, 20506 Malmö (Sweden); Hoelzel, M. [Forschungsneutronenquelle Heinz-Maier-Leibnitz (FRM II), Technische Universität Muünchen, Lichtenbergstr. 1, D-85747 Garching (Germany); Ion, J.C. [Materials Science and Applied Mathematics, Malmö University, Nordenskiöldsgatan 1, 20506 Malmö (Sweden); Zanellato, O. [PIMM, Ensam - Cnam - CNRS, 151 Boulevard de l' Hôpital, 75013 Paris (France)

2017-03-15

Deuteride phases in the zirconium-deuterium system in the temperature range 25–286 °C have been studied in-situ by high resolution neutron diffraction. The study primarily focused on observations of δ→γ transformation at 180 °C, and the peritectoid reaction α + δ ↔ γ at 255 °C in commercial grade Zr powder that was deuterated to a deuterium/Zr ratio of one to one. A detailed description of the zirconium deuteride preparation route by high temperature gas loading is also described. The lattice parameters of α-Zr, δ-ZrD{sub x} and ε-ZrD{sub x} were determined by whole pattern crystal structure analysis, using Rietveld and Pawley refinements, and are in good agreement with values reported in the literature. The controversial γ-hydride phase was observed both in-situ and ex-situ in deuterated Zr powder after a heat treatment at 286 °C and slow cooling. - Highlights: • Controversial γ phase observed both in-situ and ex-situ after heat treatments. • γ-ZrD is observed at room temperature after 5 h of heat treatment at 286 °C. • Presence of α + δ ↔ γ at 255 °C was not observed. • It was observed that there is a δ → γ transformation present around 150 °C.

In-situ observation of deuteride formation in palladium electrochemical cathode by X-ray diffraction method

International Nuclear Information System (INIS)

Yamamoto, Takao; Oka, Takashi; Taniguchi, Ryoichi

1990-01-01

In-situ X-ray diffraction observation of palladium foil cathode (10 μm) was carried out during electrolysis of 0.1N-LiOD heavy water solution in order to estimate the deuterium content in palladium during the detection of charged particles in our previous work. A complete transformation into β-palladium deuteride phase was observed, and its maximum lattice constant 4.06 A was evaluated as corresponding to D/Pd = 0.73. The deuterium concentration in the previous work was estimated as higher than this considering the difference in cell conditions. (author)

Synthesis and crystal structure of lithium beryllium deuteride Li2BeD4.

Science.gov (United States)

Bulychev, Boris M; Shpanchenko, Roman V; Antipov, Evgeny V; Sheptyakov, Denis V; Bushmeleva, Svetlana N; Balagurov, Anatoly M

2004-10-04

Single-phase ternary deuteride Li(2)BeD(4) was synthesized by a high-pressure high-temperature technique from LiD and BeD(2). The crystal structure of Li(2)BeD(4) was solved from X-ray and neutron powder diffraction data. The compound crystallizes in the monoclinic space group P2(1)/c with lattice parameters a = 7.06228(9) A, b = 8.3378(1) A, c = 8.3465(1) A, beta =93.577(1) degrees, and Z = 8. Its structure contains isolated BeD(4) tetrahedra and Li atoms that are located in the structure interstices. Li(2)BeD(4) does not undergo any structural phase transitions at temperatures down to 8 K.

Neutronigen target study and realization for medical cyclotron using proton reactions on lithium deuteride

International Nuclear Information System (INIS)

Filhol, J.M.

1984-02-01

The new idea, used for this source realization, consists of replacing the classical beryllium targets (usuals in neutronotherapy cyclotrons) by a half-thick lithium deuteride target. The target is bombarded by high energy 150 MeV) protons which are beyond the target, deviated out of the neutron beam by a permanent magnet, before to be stopped in a graphite block. Target cooling conditions study and optimisation is presented, followed by the proton deflection block study and realization. The permanent magnet used (SmCo 5 ) is adapted to this target use conditions. Many series of neutronic and dosimetric characteristics measurements allow to verify the theoretical predictions concerning the neutron flux obtained [fr

Lattice dynamics of alkali hydrides and deuterides with the NaCl type structure

International Nuclear Information System (INIS)

Dyck, W.; Jex, H.

1981-01-01

The deformation dipole model, the shell model, and also extended versions of these models have been investigated for the lattice dynamics of LiH and LiD. A deformation dipole model with 13 adjustable parameters gave the best fit to the phonon dispersion of LiD known from neutron and Raman experiments. The model has been used to compute elastic and dielectric constants, Szigeti effective charges, phonon densities of states, Debye temperatures and second-order Raman spectra of LiD and LiH. Good agreement with the experimental data was obtained. The contributions of short-range three- and four-body forces to the model force constants are discussed. First calculations of the phonon dispersion curves of the hydrides and deuterides of Na, K, Rb and Cs, which are based on shell models, are presented. (author)

Theoretical study of temperature dependent acoustic attenuation and non-linearity parameters in alkali metal hydride and deuteride

Energy Technology Data Exchange (ETDEWEB)

Singh, Rishi Pal [Department of Physics, Banaras Hindu University, Varanasi 221005 (India); Singh, Rajendra Kumar, E-mail: rksingh_17@rediffmail.com [Department of Physics, Banaras Hindu University, Varanasi 221005 (India)

2010-11-01

Temperature dependence of acoustic attenuation and non-linearity parameters in lithium hydride and lithium deuteride have been studied for longitudinal and shear modes along various crystallographic directions of propagation in a wide temperature range. Lattice parameter and repulsive parameters have been used as input data and interactions up to next nearest neighbours have been considered to calculate second and third order elastic constants which in turn have been used for evaluating acoustic attenuation and related parameters. The results have been discussed and compared with available data. It is hoped that the present results will serve to stimulate the determination of the acoustic attenuation of these compounds at different temperatures.

Method for measuring deuterium in erbium deuteride films

International Nuclear Information System (INIS)

Brangan, J.R.; Thornberg, S.M.; Keenan, M.R.

1997-09-01

Determining the quantity of deuterium in an erbium deuteride (ErD 2 ) film is essential for assessing the quality of the hydriding process but is a challenging measurement to make. First, the ideal gas law cannot be applied directly due to high temperature (950 degrees C) and low temperature (25 degrees C) regions in the same manifold. Additionally, the metal hydride does not release all of the deuterium rapidly upon heating and metal evaporation occurs during extended heating periods. Therefore, the method developed must provide a means to compensate for temperature inhomogeneities and the amount of deuterium retained in the metal film while heating for a minimal duration. This paper presents two thermal desorption methods used to evaluate the kinetics and equilibria of the deuterium desorption process at high temperatures (950 degrees C). Of primary concern is the evaluation of the quantity of deuterium remaining in these films at the high temperature. A multiple volume expansion technique provided insight into the kinetics of the deuterium evolution and metal evaporation from the film. Finally a repeated pump-down approach yielded data that indicated approximately 10% of the deuterium is retained in the metal film at 950 degrees C and approximately 1 Torr pressure. When the total moles of deuterium determined by this method were divided by the moles of erbium determined by ICP/AES, nearly stochiometric values of 2:1 were obtained for several erbium dideuteride films. Although this work presents data for erbium and deuterium, these methods are applicable to other metal hydrides as well

Isotope effects in lithium hydride and lithium deuteride crystals by molecular dynamics simulations.

Science.gov (United States)

Dammak, Hichem; Antoshchenkova, Ekaterina; Hayoun, Marc; Finocchi, Fabio

2012-10-31

Molecular dynamics (MD) simulations have been carried out to study isotope effects in lithium hydride and lithium deuteride crystals. Quantum effects on nuclear motion have been included through a quantum thermal bath (QTB). The interatomic forces were described either within the density functional theory (DFT) in the generalized gradient approximation (GGA) or by the phenomenological approach using the shell model. For both models, the isotopic shift in the lattice parameter can be successfully predicted by QTB-MD simulations. The slope of the experimental isotopic shift in pressure is satisfactorily reproduced by QTB-MD within DFT-GGA, in contrast to both density functional perturbation theory and QTB-MD with the shell model. We have analyzed the reasons for these discrepancies through the vibrational densities of states and the isotopic shifts in bulk modulus. The results illustrate the importance of anharmonic contributions to vibrations and to the isotopic pressure shift between LiH and LiD.

Conversion of reactor neutrons by lithium deuteride; Konverzija reaktorskih neutrona pomocu litijumdeuterida

Energy Technology Data Exchange (ETDEWEB)

Strugar, P; Altiparmakov, D [Boris Kidric Institute of nuclear sciences, Vinca, Belgrade (Yugoslavia)

1979-07-01

Nuclear reactors are powerful neutron sources. But for many purposes, neutrons of higher than fission energy are needed. Such neutrons may be produced by the conversion of reactor neutrons into 14 MeV neutrons using lithium deuteride converter. For that converter is generally employed {sup 6}LiD, the usual material for the thermonuclear weapons, and therefore hardly accessible in needed quantity. That was the reason to analyse such converter made of LiD with the lithium of natural isotopic content. This analysis starts with the basic conversion relations, takes into account neutron absorption and tritium generation, and finally, estimates the 14 MeV neutron flux and the heat generated in proposed converter, when the converter was coupled to each of three Yugoslav nuclear reactors. Results show that the converter made of LiD with the natural lithium is 50% less efficient than the converter of {sup 6}LiD. Intensity of 14 MeV neutrons is within limits 5. 10{sup 5} - 10{sup 10} (n/cm{sup 2}.s) for the converter used either as external converter with reactor RB, within the thermal column in the reactor TRIGA or as a 'fuel' segment at the reactor RA. (author)

Conversion of the RB reactor neutrons by highly enriched uranium fuel and lithium deuteride

International Nuclear Information System (INIS)

Strugar, P.; Sotic, O.; Ninkovic, M.; Pesic, M.; Altiparmakov, D.

1981-01-01

A thermal-to-fast-neutron converter has been constructed at the RB reactor. The material used for the conversion of thermal neutrons is highly enriched uranium fuel of Soviet production applied in Yugoslav heavy water experimental reactors RA and RB. Calculations and preliminary measurements show that the spectrum of converted neutrons only slightly differs from that of fission neutrons. The basic characteristics of converted neutrons can be expressed by the neutron radiation dose of 800 rad (8 Gy) for 1 h of reactor operation at a power level of 1 kW. This dose is approximately 10 times higher than the neutron dose at the same place without converter. At the same time, thermal neutron and gamma radiation doses are negligible. The constructed neutron converter offers wide possibilities for applications in reactor and nuclear physics and similar disciplines, where neutron spectra of high energies are required, as well as in the domain of neutron dosimetry and biological irradiations in homogeneous fields of larger dimensions. The possibility of converting thermal reactor neutrons with energies of about 14 MeV with the aid of lithium deuteride from natural lithium has been considered too. (author)

Polarimetry of the polarized hydrogen deuteride HDice target under an electron beam

Energy Technology Data Exchange (ETDEWEB)

Laine, Vivien E. [Blaise Pascal Univ., Aubiere (France)

2013-10-01

The study of the nucleon structure has been a major research focus in fundamental physics in the past decades and still is the main research line of the Thomas Jefferson National Accelerator Facility (Jefferson Lab). For this purpose and to obtain statistically meaningful results, having both a polarized beam and a highly efficient polarized target is essential. For the target, this means high polarization and high relative density of polarized material. A Hydrogen Deuteride (HD) target that presents both such characteristics has been developed first at Brookhaven National Lab (BNL) and brought to the Hall B of Jefferson Lab in 2008. The HD target has been shown to work successfully under a high intensity photon beam (BNL and Jefferson Lab). However, it remained to be seen if the target could stand an electron beam of reasonably high current (nA). In this perspective, the target was tested for the first time in its frozen spin mode under an electron beam at Jefferson Lab in 2012 during the g14 experiment. This dissertation presents the principles and usage procedures of this HD target. The polarimetry of this target with Nuclear Magnetic Resonance (NMR) during the electron beam tests is also discussed. In addition, this dissertation also describes another way to perform target polarimetry with the elastic scattering of electrons off a polarized target by using data taken on helium-3 during the E97-110 experiment that occurred in Jefferson Lab's Hall A in 2003.

On the possibility of using lithium-6 deuteride, irradiated with gas discharge plasma in a target with polarized nuclei of deuterium and lithium

International Nuclear Information System (INIS)

Bunyatova, E.I.; Bubnov, N.N.; Solodovnikov, S.P.

1991-01-01

A target with polarized nuclei made on the basis of irradiated lithium-6 deuteride is of great interest for carrying out investigations in elementary particle physics. Up to now high-energy electrons have been used for generation of F-centers in 6 LiD. It is shown that one can, in principle, use ultraviolet irradiation and gas discharge plasma for generation of F-centers in 6 LiD. Both types of irradiation cause electron paramagnetic resonance signals from conductance electrons of lithium and form F-centers in 6 LiD. It seems possible to obtain the necessary samples by exposing 6 LiD to the gas discharge plasma. 9 refs.; 2 figs

Study of the ionization rate of the released deuterium in vacuum arc discharges with metal deuteride cathodes

Science.gov (United States)

Liu, Fei-Xiang; Long, Ji-Dong; Zheng, Le; Dong, Pan; Li, Chen; Chen, Wei

2018-02-01

The ionization rate of the released deuterium from a metal deuteride cathode in vacuum arc discharges is investigated by both experiments and modeling analysis. Experimental results show that the deuterium ionization rate increases from 2% to 30% with the increasing arc current in the range of 2-100 A. Thus the full ionization assumption, as is widely used in arc plasma simulations, is not satisfied for the released deuterium at low discharge current. According to the modeling results, the neutral-to-ion conversion efficiency for the deuterium traveling across the cathodic spot region can be significantly less than one, due to the fast plasma expansion and rarefaction in the vacuum. In addition, the model also reveals that, unlike the metal atoms which are mainly ionized in the sheath region and flow back to the cathode, the deuterium ionization primarily occurs in the quasi-neutral region and moves towards the anode. Consequently, the cathodic sheath layer acts like a filter that increases the deuterium fraction beyond the sheath region.

Optimisation of the manufacturing process of tritide and deuteride targets used for neutron production

International Nuclear Information System (INIS)

Monnin, Carole; Bach, Pierre; Tulle, Pierre Alain; Rompay, Marc van; Ballanger, Anne

2002-01-01

As a neutron tube manufacturer, SODERN is now in charge of manufacturing tritium targets for accelerators, in cooperation with CEA/DAM/DTMN in Valduc. Specific deuterium and tritium targets are manufactured on request, according to the requirements of the users, starting from titanium targets on copper substrates, and going to more sophisticated devices. The range of possible uses is wide, including thin targets for neutron calibration, thick targets with controlled loading of deuterium and tritium, rotating targets or large size rotating targets for higher lifetimes. The activity of the targets ranges from 3.7x10 10 to 3.7x10 13 Bq (1-1000 Ci), the diameter being up to 30 cm. Sodern and the CEA/Valduc centre have developed different technologies for tritium target manufacture, allowing the selection of the best configuration for each kind of use. In order to optimize the production of high energy neutrons, the performance of tritide and deuteride titanium targets made by different processes has been studied experimentally by bombardment with 120 and 350 kV deuterons provided by electrostatic accelerators. It is then possible to optimize either neutron output or lifetime and stability or thermal behaviour. The importance of the deposit evaporation conditions on the efficiency of neutron emission is clearly demonstrated, as well as the thermomechanical stability of the Ti thin film under deuteron bombardment. The main parameters involved in the target performance are discussed from a thermodynamical approach

Optimisation of the manufacturing process of tritide and deuteride targets used for neutron production

Science.gov (United States)

Monnin, Carole; Bach, Pierre; Tulle, Pierre Alain; van Rompay, Marc; Ballanger, Anne

2002-03-01

As a neutron tube manufacturer, SODERN is now in charge of manufacturing tritium targets for accelerators, in cooperation with CEA/DAM/DTMN in Valduc. Specific deuterium and tritium targets are manufactured on request, according to the requirements of the users, starting from titanium targets on copper substrates, and going to more sophisticated devices. The range of possible uses is wide, including thin targets for neutron calibration, thick targets with controlled loading of deuterium and tritium, rotating targets or large size rotating targets for higher lifetimes. The activity of the targets ranges from 3.7×10 10 to 3.7×10 13 Bq (1-1000 Ci), the diameter being up to 30 cm. Sodern and the CEA/Valduc centre have developed different technologies for tritium target manufacture, allowing the selection of the best configuration for each kind of use. In order to optimize the production of high energy neutrons, the performance of tritide and deuteride titanium targets made by different processes has been studied experimentally by bombardment with 120 and 350 kV deuterons provided by electrostatic accelerators. It is then possible to optimize either neutron output or lifetime and stability or thermal behaviour. The importance of the deposit evaporation conditions on the efficiency of neutron emission is clearly demonstrated, as well as the thermomechanical stability of the Ti thin film under deuteron bombardment. The main parameters involved in the target performance are discussed from a thermodynamical approach.

Effect of external stress on deuteride (hydride) precipitation in Zircaloy-4 using in situ neutron diffraction

Energy Technology Data Exchange (ETDEWEB)

Lin, Jun-li [Department of Nuclear, Plasma, and Radiological Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States); An, Ke; Stoica, Alexandru D. [Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States); Heuser, Brent J., E-mail: bheuser@illinois.edu [Department of Nuclear, Plasma, and Radiological Engineering, University of Illinois at Urbana-Champaign, Urbana, IL 61801 (United States)

2017-04-15

In situ neutron diffraction is utilized to study the deuteride (hydride) precipitation behavior in a cold-worked stress-relieved (CWSR) Zircaloy-4 material upon cooling from 420 °C to room temperature with a 78 MPa external stress applied along the rolling direction (RD) of the material. Two banks detector capture the diffraction signal from two principal directions of the specimen, the normal direction (ND) and the rolling direction (RD). The evolution of deuterium concentration in zirconium solid solution along the two specimen directions is measured by studying the δ-(220) peak intensity, applying the Rietveld refinement method to the diffraction data and using the measured zirconium c-axis lattice distortion. The deuterium concentration is observed to be higher for zirconium grains in the ND than the RD. The terminal solid solubility of precipitation (TSSp) for deuterium in the solution is then described using the Arrhenius equation. It is observed that the applied stress reduces the energy term Q in the Arrhenius equation when compared with the unstressed Q values from the work of others. A model by Puls is applied to study the effect of stress on deuterium solubility, with polycrystalline hydride precipitation strain calculated using the Kearns factor representative of the studied material. The experimental result does not agree with the model prediction of Puls.

Consistency of neutron cross-section data, S /SUB N/ calculations, and measured tritium production for a 14-MeV neutron-driven sphere of natural lithium deuteride

International Nuclear Information System (INIS)

Reupke, W.A.; Davidson, J.N.; Muir, D.W.

1982-01-01

The authors present algorithms, describe a computer program, and gives a computational procedure for the statistical consistency analysis of neutron cross-section data, S /SUB N/ calculations, and measured tritium production in 14-MeV neutron-driven integral assemblies. Algorithms presented include a reduced matrix manipulation technique suitable for manygroup, 14-MeV neutron transport calculations. The computer program incorporates these algorithms and is expanded and improved to facilitate analysis of such integral experiments. Details of the computational procedure are given for a natural lithium deuteride experiment performed at the Los Alamos National Laboratory. Results are explained in terms of calculated cross-section sensitivities and uncertainty estimates. They include a downward adjustment of the 7 Li(n,xt) 14-MeV cross section from 328 + or - 22 to 284 + or - 24 mb, which is supported by the trend of recent differential and integral measurements. It is concluded that with appropriate refinements, the techniques of consistency analysis can be usefully applied to the analysis of 14-MeV neutron-driven tritium production integral experiments

Onium ions. XVI. Hydrogen--deuterium exchange accompanying the cleavage of ammonium (tetradeuterioammonium) trifluoroacetate by lithium deuteride (hydride) indicating Sn2 like nucleophilic displacement at quaternary nitrogen through pentacoordinated NH5

International Nuclear Information System (INIS)

Olah, G.A.; Donovan, D.J.; Shen, J.; Klopman, G.

1975-01-01

The reactions of ammonium trifluoroacetate and lithium hydride, of ammonium trifluoroacetate and lithium deuteride, and of tetradeuteroammonium trifluoroacetate and lithium hydride were studied in an attempt to prove experimentally nucleophilic displacement through the formation of pentacoordinated NH 5 . Significant isotopic scramblings were observed in the reaction products. An analysis of possible side reactions indicated that the most reasonable explanation for the reaction products obtained is the attack of D - on the quarternary hydrogen of NH 4 + in an SN2-like fashion causing exchange to occur via pentacoordinated NH 4 D. The possibility of a real pentacoordinated intermediate was also considered. CNDO/2 calculations show that a nucleophilic attack on hydrogen is favored, but the alternative attack on nitrogen can not be dismissed because of the experimental data. The reaction of NF 4 + SbF 6 - and LiF could indicate the possibility of nucleophilic attack on nitrogen. (U.S.)

Electrochemically induced nuclear fusion of deuterium

International Nuclear Information System (INIS)

Jorne, J.

1990-01-01

In this paper cold fusion of deuterium by electrolysis of heavy water onto a palladium (or titanium) cathode is reported. Contrary to the assumption of Fleishmann and Pons that electrochemically compressed D + exists inside the palladium cathode, the observations of Jones et al. can be partially explained by the simultaneous presence of deuteride D - and the highly mobile positive deuterium ion D + . The opposite charges reduce the intranuclear distance and enhance the tunneling fusion rate. Furthermore, alloying of lithium with palladium can stabilize a negatively charged deuteride ion due to the salinelike character of lithium deuteride. The enormous pressure (or fugacity), achieved by the applied electrochemical potential (10 30 atm), is a virtual pressure that would have existed in equilibrium with palladium deuteride (PdD x ). It is speculated that nuclear fusion occurs at the surface, and the PdD x serves as a reservoir for the supply of deuteride ions

Experimental observations on feasibility conditions for neutron production by fractofusion

International Nuclear Information System (INIS)

Shyam, A.; Kaushik, T.C.; Kulkarni, L.V.

1998-01-01

The feasibility conditions for production of neutrons by fractofusion have been investigated. None of the low energy/velocity experiments, such as deuterium absorption/adsorption in metals, mechanical crushing and thermal cycling of deuterides, chemical reactions with heavy water are observed to produce neutrons. High velocity (till 1 km/s) fractofusion experiments are performed by accelerating projectiles by electro-magnetic (rail) gun. These projectiles are impacted on deuterides of lithium (non-conducting) and titanium/palladium (metallic conductivity). While lithium deuteride samples are observed to produce 10 1 to 10 2 neutrons per impact, no neutrons could be observed when palladium/titanium deuterides are impacted with similar projectiles. (author)

Kinetic studies on the hafnium nad deuterium

International Nuclear Information System (INIS)

Bing Wenzeng; Long Xinggui; Zhu Zuliang

2009-04-01

Through the method of reaction rate analysis in a constant volume reactor, the time dependence of the pressure drop of the hafnium deuteride formation are studied over a temperature range 573-873 K on a metal hydride thermodynamic and kinetic parameters measuring apparatus. The rate constants of the hafnium deuteride formation, which are 0.0530 s -1 , 0.0452 s -1 , 0.0319 s -1 , 0.0261 s -1 , are calculated at a serial temperatures of 573 K, 673 K, 773 K, 873 K and the initial pressure of 13 kPa. The activation energy of the reaction is (-10.1±1.5) kJ·mol -1 . Comparing the above results with those of titanium deuteride formation on the same measuring apparatus, the kinetic mechanism of the deuteride formation of hafnium and titanium is considered different. It is concluded that the reaction rate of hafnium absorbing deuterium may be controlled by phase transformation and surface oxidation. (authors)

Production of heavy water

Science.gov (United States)

Spencer, Larry S.; Brown, Sam W.; Phillips, Michael R.

2017-06-06

Disclosed are methods and apparatuses for producing heavy water. In one embodiment, a catalyst is treated with high purity air or a mixture of gaseous nitrogen and oxygen with gaseous deuterium all together flowing over the catalyst to produce the heavy water. In an alternate embodiment, the deuterium is combusted to form the heavy water. In an alternate embodiment, gaseous deuterium and gaseous oxygen is flowed into a fuel cell to produce the heavy water. In various embodiments, the deuterium may be produced by a thermal decomposition and distillation process that involves heating solid lithium deuteride to form liquid lithium deuteride and then extracting the gaseous deuterium from the liquid lithium deuteride.

Energy- and particle-confinement properties of an end-plugged, linear, theta pinch

International Nuclear Information System (INIS)

Commisso, R.J.; Bartsch, R.R.; Ekdahl, C.A.; McKenna, K.F.; Siemon, R.E.

1979-01-01

Experiments show that axial confinement of plasma in a straight theta-pinch solenoid is improved by placing solid lithium deuteride plugs at the ends. The energy confinement is increased nearly threefold in agreement with theoretical estimates which assume classical electron thermal conduction and no convective losses. The confinement of deuterium ions is explained by classical Coulomb collisions in the ablated lithium deuteride plasma

Convenient synthesis of deuterated aluminium hydrides

Energy Technology Data Exchange (ETDEWEB)

Pawelke, Roland H.; Felderhoff, Michael; Weidenthaler, Claudia [Max-Planck-Institut fuer Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Muelheim an der Ruhr (Germany); Schueth, Ferdi [Max-Planck-Institut fuer Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Muelheim an der Ruhr (Germany)], E-mail: schueth@mpi-muelheim.mpg.de

2008-09-15

We describe the ball-milling synthesis of alkali metal deuterides from commercial lithium aluminium deuteride. This reaction principle was exemplified by the mechanochemical synthesis of NaAlD{sub 4} and KAlD{sub 4}. NaAlD{sub 4} was prepared on the multi-gram scale by this procedure and purified by standard wet-chemical separation. Pure NaAlD{sub 4} was obtained and used for the synthesis of Ca(AlD{sub 4}){sub 2}. The formation of all products was verified by X-ray diffraction.

Experimental study of gaseous lithium deuterides and lithium oxides. Implications for the use of lithium and Li2O as breeding materials in fusion reactor blankets

International Nuclear Information System (INIS)

Ihle, H.R.; Wu, C.H.; Kudo, H.

1980-01-01

In addition to LiH, which has been studied extensively by optical spectroscopy, the existence of a number of other stable lithium hydrides has been predicted theoretically. By analysis of the saturated vapour over dilute solutions of the hydrogen isotopes in lithium, using Knudsen effusion mass spectrometry, all lithium hydrides predicted to be stable were found. Solutions of deuterium in lithium were used predominantly because of practical advantages for mass spectrometric measurements. The heats of dissociation of LiD, Li 2 D, LiD 2 and Li 2 D 2 , and the binding energies of their singly charged positive ions were determined, and the constants of the gas/liquid equilibria were calculated. The existence of these lithium deuterides in the gas phase over solutions of deuterium in lithium leads to enrichment of deuterium in the gas above 1240 K. The enrichment factor, which increases exponentially with temperature and is independent of concentration for low concentrations of deuterium in the liquid, was determined by Rayleigh distillation experiments. It was found that it is thermodynamically possible to separate deuterium from lithium by distillation. One of the alternatives to the use of lithium in (D,T)-fusion reactors as tritium-breeding blanket material is to employ solid lithium oxide. This has a high melting point, a high lithium density and still favourable tritium-breeding properties. Because of its rather high volatility, an experimental study of the vaporization of Li 2 O was undertaken by mass spectrometry. It vaporizes to give lithium and oxygen, and LiO, Li 2 O, Li 3 O and Li 2 O 2 . The molecule Li 3 O was found as a new species. Heats of dissociation, binding energies of the various ions and the constants of the gas/solid equilibria were determined. The effect of using different materials for the Knudsen cells and the relative thermal stabilities of lithium-aluminium oxides were also studied. (author)

Raman spectra of lithium compounds

Science.gov (United States)

Gorelik, V. S.; Bi, Dongxue; Voinov, Y. P.; Vodchits, A. I.; Gorshunov, B. P.; Yurasov, N. I.; Yurasova, I. I.

2017-11-01

The paper is devoted to the results of investigating the spontaneous Raman scattering spectra in the lithium compounds crystals in a wide spectral range by the fibre-optic spectroscopy method. We also present the stimulated Raman scattering spectra in the lithium hydroxide and lithium deuteride crystals obtained with the use of powerful laser source. The symmetry properties of the lithium hydroxide, lithium hydroxide monohydrate and lithium deuteride crystals optical modes were analyzed by means of the irreducible representations of the point symmetry groups. We have established the selection rules in the Raman and infrared absorption spectra of LiOH, LiOH·H2O and LiD crystals.

Improvement of Core Performance by Introduction of Moderators in a Blanket Region of Fast Reactors

Directory of Open Access Journals (Sweden)

Toshio Wakabayashi

2013-01-01

Full Text Available An application of deuteride moderator for fast reactor cores is proposed for power flattening that can mitigate thermal spikes and alleviate the decrease in breeding ratio, which sometimes occurs when hydrogen moderator is applied as a moderator. Zirconium deuteride is employed in a form of pin arrays at the inner most rows of radial blanket fuel assemblies, which works as a reflector in order to flatten the radial power distribution in the outer core region of MONJU. The power flattening can be utilized to increase core average burn-up by increasing operational time. The core characteristics have been evaluated with a continuous-energy model Monte Carlo code MVP and the JENDL-3.3 cross-section library. The result indicates that the discharged fuel burn-up can be increased by about 7% relative to that of no moderator in the blanket region due to the power flattening when the number of deuteride moderator pins is 61. The core characteristics and core safety such as void reactivity, Doppler coefficient, and reactivity insertion that occurred at dissolution of deuteron were evaluated. It was clear that the serious drawback did not appear from the viewpoints of the core characteristics and core safety.

Luminescence of LiH(D):Ru monocrystals

International Nuclear Information System (INIS)

Sabirzyanov, A.A.; Oparin, D.V.; Pilipenko, G.I.; Gavrilov, F.F.

1993-01-01

Luminescence of lithium hydride (deuteride) activated by ruthenium is recorded for the first time. The features connected with the structure and oscillations of the basic lattice are detected in luminescence spectrum. The qualitative model of luminescence spectrum is suggested

Synthesis of deuterium-labeled prochlorperazine.

Science.gov (United States)

Hawes, E M; Gurnsey, T S; Shetty, H U; Midha, K K

1983-06-01

The propylpiperazine side chain of prochlorperazine was labeled with two, four, or six deuterium atoms by lithium aluminum deuteride reduction of the appropriate amide. The isotopic purity of the products after correcting for chlorine isotopes was greater than 95.7%.

NMR study of thermal decomposition of lithium tetrahydroaluminate

International Nuclear Information System (INIS)

Tarasov, V.P.; Bakum, S.I.; Kuznetsova, S.F.

1997-01-01

Pyrolysis of lithium aluminotetrahydrides and deuterides, LiAlH 4 and LiAlD 4 , was studied by 1 H, 7 Li, 27 Al NMR in 20-700 deg C range. 20-30 time constriction of resonance lines of studied nuclei at 170 deg C testifies to melting of the compounds. It is shown that at LiAlD 4 melting point the first stage of pyrolysis is described by two parallel reactions: LiAlD 4 -> LiD + Al + D 2 , LiAlD 4 + LiD -> Li 3 AlD 6 , which proceed with different rates. It was revealed that reactions of lithium hydride (deuteride) with metallic aluminium at temperatures above 400 deg C resulted to formation of intermetallic compounds of LiAl and LiAl 3 composition. LiAl is characterized by higher thermal stability, than LiAl 3 . 20 refs., 6 figs., 2 tabs

Hydrogen-deuterium exchange of the anionic group 6B transition-metal hydrides. Convenient, in-situ-deuterium transfer reagents

International Nuclear Information System (INIS)

Gaus, P.L.; Kao, S.C.; Darensbourg, M.Y.; Arndt, L.W.

1984-01-01

The facile exchange of hydrogen for detuerium in the anionic group 6B carbonyl hydrides HM(CO) 4 L - (M = Cr, W; L = CO P(OMe) 3 ) has been studied in THF 4 (tetrahydrofuran) with CH 3 OD, D 2 O, and CH 3 CO 2 D. This has provided a synthesis of the deuterides, DM(CO) 4 L - , as well as a convenient in situ source of deuteride reducing reagents for organic halides. A number of such reductions are described, using 2 H NMR to demonstrate both selectivity and stereospecificity for certain systems. The carbonyl region of the infrared spectra of the hydrides is not affected by deuteration of the hydrides, suggesting that the M-H or M-D vibrational modes are not coupled significantly to CO vibrations in these hydrides. The mechanism of the H/D exchange and of a related H 2 elimination reaction is discussed

High energy neutron generator

International Nuclear Information System (INIS)

Barjon, R.; Breynat, G.

1987-01-01

This patent describes a generator of fast neutrons only slightly contaminated by neutrons of energy less than 15 MeV, comprising a source of charged particles of energy equal to at least 15 MeV, a target made of lithium deuteride, and means for cooling the target. The target comprises at least two elements placed in series in the path of the charged particles and separated from each other, the thickness of each of the elements being selected as a function of the average energy of the charged particles emitted from the source and the energy of the fast neutrons to be generated such that neutrons of energy equal to at least 15 MeV are emitted in the forward direction in response to the bombardment of the target from behind by the charged particles. The target cooling means comprises means for circulating between and around the elements a gas which does not chemically react with lithium deuteride

Synthesis, spectroscopy, and hydrogen/deuterium exchange in high-spin iron(II) hydride complexes.

Science.gov (United States)

Dugan, Thomas R; Bill, Eckhard; MacLeod, K Cory; Brennessel, William W; Holland, Patrick L

2014-03-03

Very few hydride complexes are known in which the metals have a high-spin electronic configuration. We describe the characterization of several high-spin iron(II) hydride/deuteride isotopologues and their exchange reactions with one another and with H2/D2. Though the hydride/deuteride signal is not observable in NMR spectra, the choice of isotope has an influence on the chemical shifts of distant protons in the dimers through the paramagnetic isotope effect on chemical shift. This provides the first way to monitor the exchange of H and D in the bridging positions of these hydride complexes. The rate of exchange depends on the size of the supporting ligand, and this is consistent with the idea that H2/D2 exchange into the hydrides occurs through the dimeric complexes rather than through a transient monomer. The understanding of H/D exchange mechanisms in these high-spin iron hydride complexes may be relevant to postulated nitrogenase mechanisms.

Synthesis of [26-2H(3)]brassinosteroids.

Science.gov (United States)

Khripach, Vladimir A; Zhabinskii, Vladimir N; Konstantinova, Olga V; Antonchick, Andrey P; Schneider, Bernd

2002-06-01

A number of [26-2H(3)]brassinosteroids were prepared for biochemical studies. The parent, nondeuterated compounds were considered to be biosynthetic intermediates in brassinosteroid biosynthesis. Claisen rearrangement was used to construct the steroidal side chain. Deuterium was introduced by reducing the corresponding intermediates with lithium aluminium deuteride.

Alkali deuteride negative ion source development plan

International Nuclear Information System (INIS)

Anon.

1977-01-01

A three phase program is described for the development of neutral beam systems. In the first phase, concluded in May, 1977, the laser initiated source was characterized. In phase two, scheduled for completion in September, 1978, negative ion confinement and extraction are investigated using laser energy deposition as a baseline method to produce D - . In addition other energy deposition schemes are studied in order to define a baseline energetic beam source system. The third phase is devoted to producing an integrated baseline system and scaling it up in current and energy to meet magnetic confinement system requirements

Heat Measurements in Electrolytic Metal-Deuteride Experiments

Science.gov (United States)

2015-10-16

presenting a brief on low-energy nuclear reactions ( LENR ) at the Energetics Materials Intelligence Seminar in McLean, VA. Dr. McKubre visited NRL for... LENR at the Adelphi Army Research Laboratory in Maryland in late June 2010. ELECTROLYSIS CELLS WITH “SUPERWAVE®” STIMULATION A purchase order for

Preparation of lithium deuteride laser fusion targets

International Nuclear Information System (INIS)

Prevender, T.S.; Lynch, A.W.

1977-01-01

Techniques for the handling and spheroidization of LiD powders are presented. Particle inspection procedures and a description of both the mathematical and experimental aspects of LiD isotope and exchange experiments are also described

Sterol synthesis. A novel reductive rearrangement of an alpha,beta-unsaturated steroidal epoxide; a new chemical synthesis of 5alpha-cholest-8(14)-en-3beta, 15alpha-diol.

Science.gov (United States)

Parish, E J; Schroepfer, G J

1977-04-01

Reduction of 3beta-benzoyloxy-14alpha,15alpha-epoxy-5alpha-cholest-7-ene with either lithium triethylboro-hydride or lithium aluminum hydride (4 molar excess) gave 5-alpha-cholest-8(14)-en-3beta,15alpha-diol in high yield. Reduction of the epoxy ester with lithium triethylborodeuteride or lithium aluminum deuteride (4 molar excess) gave [7alpha-2-H]-5alpha-cholest-8(14)-en-3beta,15alpha-diol. Reduction of 2beta-benzoyloxy-14alpha,15alpha-epoxy-5alpha-cholest-7-ene with a large excess (24 molar excess) of lithium aluminum hydride gave, in addition to the expected 5alpha-cholest-8(14)-en-3beta,15alpha-diol, a significant yield (33%) of 5alpha-cholest-8(14)-en-3beta-o1. Reduction of the epoxy ester with a large excess (24 molar excess) of lithium aluminum deuteride gave [7alpha-2H]-5alpha-cholest-8(14)-en-3beta,15alpha-diol and 5alpha-cholest-8(14)-en-3beta-o1 which contained two atoms of stably bound deuterium.

Preparation of tritium- or deuterium-labeled vitamin D analogs by a convenient general method

International Nuclear Information System (INIS)

Paaren, H.E.; Fivizzani, M.A.; Schnoes, H.K.; DeLuca, H.F.

1981-01-01

The three-step conversion of vitamin D analogs to 6-oxo-3,5-cyclovitamin D derivatives followed by reduction with a tritide or deuteride reagent and subsequent cycloreversion gives 6-tritio(deutero)vitamin D derivatives and corresponding 5,6-trans-analogs. The method is general and affords the 6-labeled-vitamin D analogs in approx. =20% overall yield

Crystal structure of barium hydride, determined by neutron diffraction experiments on BaD2

International Nuclear Information System (INIS)

Bronger, W.; Scha Chi-Chien; Mueller, P.

1987-01-01

A reinvestigation of the structure of BaH 2 and BaD 2 was performed on powdered samples by X-ray- and neutron diffraction experiments. It is shown, that the hydrogen positions correspond with those found in calcium deuteride and not with those proposed in the literature. The classification of barium hydride in the PbCl 2 structure type is discussed. (author)

Clean and contaminated TiD2 films: Fabrication and Auger spectra

International Nuclear Information System (INIS)

Malinowski, M.E.

1978-01-01

Clean and intentionally contaminated stoichiometric TiD 2 thin films have been formed under controlled conditions and the surface compositions of the films measured using Auger electron spectroscopy. The unique ultrahigh vacuum system used to fabricate the films is described in detail. In addition, the Auger spectra of clean and CO- and CO 2 -contaminated films, before and after deuteriding, are presented. The MVV and LMV peaks in the differential spectrum of TiD 2 are significantly different from the corresponding peaks in the Ti spectrum, presumably a result of the deuteride formation. Films intentionally contaminated with CO and CO 2 have Auger spectra with oxygen peaks and carbide-like carbon peaks. The C and O peak heights and shapes for Ti exposed to CO and CO 2 do not change upon formation of TiD 2 . In addition, for each of these gases, a definite ratio of C/O peak heights was observed: For CO, the C/O ratio was approx.1.3, while for CO 2 it was approx.0.58. Both ratios were independent of gas exposures up to approx.1 Torr s

MASS MEASUREMENTS IN PROTOPLANETARY DISKS FROM HYDROGEN DEUTERIDE

Energy Technology Data Exchange (ETDEWEB)

McClure, M. K. [Karl-Schwarzschild-Straße 2, D-85748 Garching bei München (Germany); Bergin, E. A.; Cleeves, L. I., E-mail: mmcclure@eso.org, E-mail: ebergin@umich.edu, E-mail: ilse.cleeves@cfa.harvard.edu [Department of Astronomy, The University of Michigan, 500 Church St., 830 Dennison Bldg., Ann Arbor, MI 48109 (United States); and others

2016-11-10

The total gas mass of a protoplanetary disk is a fundamental, but poorly determined, quantity. A new technique has been demonstrated to assess directly the bulk molecular gas reservoir of molecular hydrogen using the HD J = 1–0 line at 112 μ m. In this work we present a Herschel Space Observatory {sup 10} survey of six additional T Tauri disks in the HD line. Line emission is detected at >3 σ significance in two cases: DM Tau and GM Aur. For the other four disks, we establish upper limits to the line flux. Using detailed disk structure and ray-tracing models, we calculate the temperature structure and dust mass from modeling the observed spectral energy distributions, and we include the effect of UV gas heating to determine the amount of gas required to fit the HD line. The ranges of gas masses are 1.0–4.7 × 10{sup -2} for DM Tau and 2.5–20.4 × 10{sup -2} for GM Aur. These values are larger than those found using CO for GM Aur, while the CO-derived gas mass for DM Tau is consistent with the lower end of our mass range. This suggests a CO chemical depletion from the gas phase of up to a factor of five for DM Tau and up to two orders of magnitude for GM Aur. We discuss how future analysis can narrow the mass ranges further.

Positronium deuteride and hydride in MgO crystals

OpenAIRE

Monge, M. A.; Pareja, R.; González, R.; Chen, Y.

1996-01-01

Low-temperature positron lifetime and Doppler broadening measurements were made in MgO crystals containing D− or H− ions in order to investigate the temperature dependence of the positron trapping by D− and H− ions and elucidate the possible formation of PsD (PsH) states. Positrons are trapped at D− and H− ions once the oxygen vacancies, which are more effective positron traps, are eliminated by annealing the crystals at high temperatures in a reducing atmosphere. From the temperature depende...

Positronium deuteride and hydride in MgO crystals

International Nuclear Information System (INIS)

Monge, M.A.; Pareja, R.; Gonzalez, R.; Chen, Y.

1996-01-01

Low-temperature positron lifetime and Doppler broadening measurements were made in MgO crystals containing D - or H - ions in order to investigate the temperature dependence of the positron trapping by D - and H - ions and elucidate the possible formation of PsD (PsH) states. Positrons are trapped at D - and H - ions once the oxygen vacancies, which are more effective positron traps, are eliminated by annealing the crystals at high temperatures in a reducing atmosphere. From the temperature dependence of the annihilation parameters the positron trapping coefficients for D - and H - centers were shown to increase with temperature between 100-300 K. The lifetime of the PsD (PsH) state is (650±30) ps and temperature independent. The dissociation rate of the PsD (PsH) state into D (H) and Ps is also temperature independent. No isotopic effect was observed. (author)

A novel strontium-rhodium hydride

International Nuclear Information System (INIS)

Bortz, M.; Yvon, K.; Fauth, F.

1997-01-01

The attempt to determine the structure of 'LiSr 2 RhD 6 ' that was reported to crystallize in a tetragonal primitive cell with one formula unit by neutron diffraction experiments on powder samples at room temperature and at 1.5 K led to the discovery of a new tetragonal deuteride of refined composition Sr 2 RhD 6 . (author) 2 figs., 3 refs

Nuclei quadrupole coupling constants in diatomic molecule

International Nuclear Information System (INIS)

Ivanov, A.I.; Rebane, T.K.

1993-01-01

An approximate relationship between the constants of quadrupole interaction of nuclei in a two-atom molecule is found. It enabled to establish proportionality of oscillatory-rotation corrections to these constants for both nuclei in the molecule. Similar results were obtained for the factors of electrical dipole-quadrupole screening of nuclei. Applicability of these relationships is proven by the example of lithium deuteride molecule. 4 refs., 1 tab

A novel strontium-rhodium hydride

Energy Technology Data Exchange (ETDEWEB)

Bortz, M.; Yvon, K. [Geneva Univ. (Switzerland); Fauth, F. [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

1997-09-01

The attempt to determine the structure of `LiSr{sub 2}RhD{sub 6}` that was reported to crystallize in a tetragonal primitive cell with one formula unit by neutron diffraction experiments on powder samples at room temperature and at 1.5 K led to the discovery of a new tetragonal deuteride of refined composition Sr{sub 2}RhD{sub 6}. (author) 2 figs., 3 refs.

Influence of deuterium content on tensile behavior of Zr-2.5Nb pressure tube material in the temperature range of ambient to 300 degC

International Nuclear Information System (INIS)

Bind, A.K.; Singh, R.N.; Chakravartty, J.K.; Dhandharia, Priyesh; Ghosh, Agnish; More, Nitin S.; Chhatre, A.G.; Vijayakumar, S.

2011-08-01

Tensile properties of autoclaved zirconium-2.5 wt. % niobium pressure tube material were evaluated by uniaxial tension tests at temperatures between 25 and 300 degC and under strain-rates of 1.075 x 10 -4 /s. Six number of Zr-2.5Nb alloy pressure tube spools of length 130 mm were obtained from pressure tube number 19-2557-2. Five spools were polished with abrasive paper to remove the oxide layer. These spools were gaseously charged with controlled amount of deuterium. The target deuterium concentrations were 25, 50, 75, 100 and 200 wppm of hydrogen equivalent. Ten samples were machined by EDM wire cutting from every spool. The tensile specimen axis was oriented along longitudinal direction of the tube. Metallographic examination of the deuterium charged samples suggested that the deuterides were predominantly circumferential deuterides. Analysis of tensile results showed that both yield and ultimate tensile strengths of this alloy decreased monotonically with increasing test temperatures. The tensile ductility decreased marginally with increase in test temperature from ambient to 300 degC. It was also observed that both strength and ductility appear to be unaffected by deuterium content at all temperatures, thereby suggesting that at least up to 200 wppm (Heq.) of deuterium tensile properties are not influenced by deuterium. (author)

Hydrides of Alkaline Earth–Tetrel (AeTt) Zintl Phases: Covalent Tt–H Bonds from Silicon to Tin

Energy Technology Data Exchange (ETDEWEB)

Auer, Henry; Guehne, Robin; Bertmer, Marko; Weber, Sebastian; Wenderoth, Patrick; Hansen, Thomas Christian; Haase, Jürgen; Kohlmann, Holger (Leipzig); (Saarland-MED); (ILL)

2017-01-18

Zintl phases form hydrides either by incorporating hydride anions (interstitial hydrides) or by covalent bonding of H to the polyanion (polyanionic hydrides), which yields a variety of different compositions and bonding situations. Hydrides (deuterides) of SrGe, BaSi, and BaSn were prepared by hydrogenation (deuteration) of the CrB-type Zintl phases AeTt and characterized by laboratory X-ray, synchrotron, and neutron diffraction, NMR spectroscopy, and quantum-chemical calculations. SrGeD4/3–x and BaSnD4/3–x show condensed boatlike six-membered rings of Tt atoms, formed by joining three of the zigzag chains contained in the Zintl phase. These new polyanionic motifs are terminated by covalently bound H atoms with d(Ge–D) = 1.521(9) Å and d(Sn–D) = 1.858(8) Å. Additional hydride anions are located in Ae4 tetrahedra; thus, the features of both interstitial hydrides and polyanionic hydrides are represented. BaSiD2–x retains the zigzag Si chain as in the parent Zintl phase, but in the hydride (deuteride), it is terminated by H (D) atoms, thus forming a linear (SiD) chain with d(Si–D) = 1.641(5) Å.

Hydrogen in niobium, tantalum, and vanadium: Structures, phase diagrams, and morphologies

International Nuclear Information System (INIS)

Schober, T.

1978-07-01

The paper discusses basic aspects of the reactions between the metals niobium, tantalum, vanadium, and hydrogen or deuterium. After an introduction to problems of preparation experimental technqiues for the investigation of hydrides are presented. The possible hydride structures are discussed. With vanadium, there are great differences between the structures of hydrides and deuterides. Detailed mention is also made of recent measurements of the NGH, TaH, VH, and VD phase diagrams. (orig./WBU) [de

Preparation of 6,6,1',1',6',6'-hexadeutero sucrose.

Science.gov (United States)

Gouy, Marie-Hélène; Danel, Mathieu; Gayral, Maud; Bouchu, Alain; Queneau, Yves

2007-11-05

The preparation of 6,6,1',1',6',6'-hexadeutero sucrose is reported. The synthesis is based on a triple oxidation of a protected sucrose 6,1',6'-triol to the corresponding 6,1',6'-tricarboxylic acid or ester, followed by reduction with lithium aluminium deuteride. This triple oxidation could be achieved either using cat. TEMPO-NaOCl (to the acid) or PDC-Ac(2)O-t-BuOH (to the t-butyl carboxylic ester).

Solid Polarized Targets and Applications

International Nuclear Information System (INIS)

Crabb, D. G.

2008-01-01

Examples are given of dynamically polarized targets in use today and how the subsystems have changed to meet the needs of todays experiments. Particular emphasis is placed on target materials such as ammonia and lithium deuteride. Recent polarization studies of irradiated materials such as butanol, deuterated butanol, polyethylene, and deuterated polyethylene are presented. The operation of two non-DNP target systems as well as applications of traditional DNP targets are briefly discussed

The electric dipole moment of magnesium deuteride, MgD

Energy Technology Data Exchange (ETDEWEB)

Steimle, Timothy C., E-mail: TSteimle@asu.edu; Zhang, Ruohan [Department of Chemistry and Biochemistry, Arizona State University, Tempe, Arizona 85287-1604 (United States); Wang, Hailing [State Key Laboratory of Precision Spectroscopy, East China Normal University, Shanghai, 200062 (China)

2014-06-14

The (0,0) A{sup 2}Π–X {sup 2}Σ{sup +} band of a cold molecular beam sample of magnesium monodeuteride, MgD, has been recorded field-free and in the presence of a static electric field of up to 11 kV/cm. The lines associated with the lowest rotational levels are detected for the first time. The field-free spectrum was analyzed to produce an improved set of fine structure parameters for the A{sup 2}Π (v = 0) state. The observed electric field induced splittings and shifts were analyzed to produce permanent electric dipole moments, μ{sup -vector}{sub el} of 2.567(10)D and 1.31(8)D for A{sup 2}Π (v = 0) and X{sup 2}Σ{sup +}(v = 0) states, respectively. The recommended value for μ{sup -vector}{sub el}(X{sup 2}Σ{sup +} (v = 0)) for MgH, based upon the measured value for MgD, is 1.32(8)D.

The electric dipole moment of magnesium deuteride, MgD.

Science.gov (United States)

Steimle, Timothy C; Zhang, Ruohan; Wang, Hailing

2014-06-14

The (0,0) A(2)Π-X (2)Σ(+) band of a cold molecular beam sample of magnesium monodeuteride, MgD, has been recorded field-free and in the presence of a static electric field of up to 11 kV/cm. The lines associated with the lowest rotational levels are detected for the first time. The field-free spectrum was analyzed to produce an improved set of fine structure parameters for the A(2)Π (v = 0) state. The observed electric field induced splittings and shifts were analyzed to produce permanent electric dipole moments, μ(el) of 2.567(10)D and 1.31(8)D for A(2)Π (v = 0) and X(2)Σ(+)(v = 0) states, respectively. The recommended value for μ(el)(X(2)Σ(+) (v = 0)) for MgH, based upon the measured value for MgD, is 1.32(8)D.

Hydrogen absorption-desorption at metal surfaces

International Nuclear Information System (INIS)

Ward, C.A.; Pataki, L.

1991-04-01

On the basis of experimental studies, it has been proposed that when zirconium oxide (ZrO 2 ) is exposed to hydrogen at 300 degrees C or higher, a reaction occurs to produce metallic zirconium and water, thereby increasing the electrical conductivity of the oxide film and its permeability to hydrogen. A series of experiments has been performed in which specimens of zirconium and zirconium-2.5% niobium were either hydrided or deuterided in a furnace at a temperature between 300 degrees C and 800 degrees C and in an atmosphere that consisted primarily of either hydrogen (H 2 ) or deuterium (D 2 ). After cooling a specimen to room temperature, it was placed in a thermogravimetric analyzer that was equipped with a mass spectrometer, TGA-MS. Each specimen was then heated to 1200 degrees C at a controlled rate in a primarily helium atmosphere monitored with the mass spectrometer. Light water (H 2 O) evolved from the hydrided specimens and heavy water (D 2 0) from the deuterided ones and there was a weight loss of the specimens that accompanied the water evolution. The specimens having approximately the same amount of hydride but more oxide also evolved more H 2 O, and that the H 2 O did not come from reactions between impurity H 2 and oxygen (O 2 ) in the TGA-MS. Heating a zirconium or zirconium alloy specimen that contains a hydride or deuteride phase within and an oxide layer on its surface causes the hydrogen to diffuse toward the surface and when it encounters the oxide a reaction follows that produces water. The conventional mechanism for the dissipation of the imperviousness of ZrO 2 to H 2 that results from the oxide being exposed to a reducing atmosphere will not explain the water production observed in these experiments. However, the existence of the proposed reaction can account for the elevated hydrogen concentration in an oxide film that has been observed to accompany the aqueous corrosion of zirconium and the effects on both the electrical conductivity and

Synthesis of deuterium-labeled felbamate from diethyl phenylmalonate

Energy Technology Data Exchange (ETDEWEB)

Choi, Y.M.; Kucharczyk, N.; Sofia, R.D.

1986-07-01

A synthesis of the antiepileptic drug, felbamate-d/sub 4/ (2-phenyl-1,3-propanediol-1,1,3,3-d/sub 4/ dicarbamate), starting from diethyl phenylmalonic acid ester and lithium aluminum deuteride was developed. The procedure has three steps from the starting material to felbamate-d/sub 4/ via the intermediate, 2-phenyl-1,3-propanediol-1,1,3,3-d/sub 4/. The final overall yield was 44%. The isotope purity was 99.2%.

V L Ginzburg and the Atomic Project

Science.gov (United States)

Ritus, V. I.

2017-04-01

This paper is an expanded version of the author's talk presented at a session of the Physical Sciences Division of the Russian Academy of Sciences celebrating the 100th anniversary of V L Ginzburg's birth. Tamm's Special group was organized in June 1948 with the task to clarify the feasibility of constructing a hydrogen bomb. Having verified and confirmed the calculated results by Ya B Zel'dovich's group, the Tamm group proposed an original hydrogen bomb design, which, following A D Sakharov's idea, consisted of an atomic bomb surrounded spherically by nested uranium and heavy water layers: the heavy water, on V L Ginzburg's suggestion, was replaced by higher-calorie solid lithium-6 deuteride. The ionization implosion of deuterium by uranium, both heated by the atomic bomb's explosion, greatly accelerates nuclear reactions in deuterium and uranium and increases the total energy release. Upon their approval by the KB-11 top researchers, the Atomic project leadership, and the government, the proposals were implemented in the RDS-6s bomb, which was successfully tested on 12 August 1953. Lithium-6 deuteride turned out to be a convenient multipurpose nuclear fuel. The paper highlights the recognition by the leaders of the country and of the Atomic project that fundamental science plays a crucial role in promoting scientists' ideas and proposals.

In situ investigations on the formation and decomposition of KSiH{sub 3} and CsSiH{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Auer, Henry; Kohlmann, Holger [Department of Inorganic Chemistry, Leipzig University (Germany)

2017-08-03

The system KSi-KSiH{sub 3} stores 4.3 wt % of hydrogen and shows a very good reversibility at mild conditions of 0.1 MPa hydrogen pressure and 414 K.[] We followed the reaction pathways of the hydrogenation reactions of KSi and its higher homologue CsSi by in situ methods in order to check for possible intermediate hydrides. In situ diffraction at temperatures up to 500 K and gas pressures up to 5.0 MPa hydrogen gas for X-ray and deuterium gas for neutron reveal that both KSi and CsSi react in one step to the hydrides KSiH{sub 3} and CsSiH{sub 3} and the respective deuterides. Neither do the Zintl phases dissolve hydrogen (deuterium), nor do the hydrides (deuterides) show any signs for non-stoichiometry, i.e. all phases involved in the formation are line phases. Heating to temperatures above 500 K shows that at 5.0 MPa hydrogen pressure only the reaction 2CsSi + 3H{sub 2} = 2CsSiH{sub 3} is reversible. Under these conditions, KSiH{sub 3} decomposes to a clathrate and potassium hydride according to 46KSiH{sub 3} = K{sub 8}Si{sub 46} + 38KH + 50H{sub 2}. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Tritium in metals

International Nuclear Information System (INIS)

Schober, T.

1990-01-01

In this Chapter a review is given of some of the important features of metal tritides as opposed to hydrides and deuterides. After an introduction to the topics of tritium and tritium in metals information will be presented on a variety of metal-tritium systems. Of main interest here are the differences from the classic hydrogen behavior; the so called isotope effect. A second important topic is that of aging effects produced by the accumulation of 3 He in the samples. (orig.)

METHOD FOR PRODUCING ISOTOPIC METHANES AND PARTIALLY HALOGENATED DERIVATIVES THEROF

Science.gov (United States)

Frazer, J.W.

1959-08-18

A method is given for producing isotopic methanes and/ or partially halogenated derivatives. Lithium hydride, deuteride, or tritide is reacted with a halogenated methane or with a halogenated methane in combination with free halogen. The process is conveniently carried out by passing a halogenated methane preferably at low pressures or in an admixture with an inert gas through a fixed bed of finely divided lithium hydride heated initially to temperatures of 100 to 200 deg C depending upon the halogenated methane used.

Nuclear fusion induced by X-rays in a crystal

OpenAIRE

Belyaev, V. B.; Miller, M. B.; Otto, J.; Rakityansky, S. A.

2016-01-01

The nuclei that constitute a crystalline lattice, oscillate relative to each other with a very low energy that is not sufficient to penetrate through the Coulomb barriers separating them. An additional energy, which is needed to tunnel through the barrier and fuse, can be supplied by external electromagnetic waves (X-rays or the synchrotron radiation). Exposing to the X-rays the solid compound LiD (lithium-deuteride) for the duration of 111 hours, we have detected 88 events of the nuclear fus...

Hydrogen in CANDU fuel elements

International Nuclear Information System (INIS)

Sejnoha, R.; Manzer, A.M.; Surette, B.A.

1995-01-01

Unirradiated and irradiated CANDU fuel cladding was tested to compare the role of stress-corrosion cracking and of hydrogen in the development of fuel defects. The results of the tests are compared with information on fuel performance in-reactor. The role of hydriding (deuteriding) from the coolant and from the fuel element inside is discussed, and the control of 'hydrogen gas' content in the element is confirmed as essential for defect-free fuel performance. Finally, implications for fuel element design are discussed. (author)

Vacancy formation energy of Li(H,D) and Na(H,D) systems

International Nuclear Information System (INIS)

Islam, A.K.M.A.

1993-06-01

Vacancy defect formation energy (Schottky defect) of lighter hydrides and deuterides of alkali metals are discussed with reference to conductivity measurements and the recent computer simulation calculations. An empirical relation with Debye temperature is found to yield values of Schottky defect formation energies of Li(H,D) systems in agreement with experiments. The relationship is also utilized to obtain the formation energies for Na(H,D) systems for which experimental values are available in the literature. (author). 37 refs, 1 fig., 1 tab

Hydrogen effects in aluminum alloys

International Nuclear Information System (INIS)

Louthan, M.R. Jr.; Caskey, G.R. Jr.; Dexter, A.H.

1976-01-01

The permeability of six commercial aluminum alloys to deuterium and tritium was determined by several techniques. Surface films inhibited permeation under most conditions; however, contact with lithium deuteride during the tests minimized the surface effects. Under these conditions phi/sub D 2 / = 1.9 x 10 -2 exp (--22,400/RT) cc (NTP)atm/sup -- 1 / 2 / s -1 cm -1 . The six alloys were also tested before, during, and after exposure to high pressure hydrogen, and no hydrogen-induced effects on the tensile properties were observed

Crystal anharmonicity in Li(H,D) and Na(H,D) systems

International Nuclear Information System (INIS)

Islam, A.K.M.A.; Haque, E.; Azad, A.S.

1993-05-01

The reliability of our recently developed potential model is tested by extending the study to various anharmonic properties, e.g., third order elastic constants, fourth order elastic constants, Grueneisen parameters, and the pressure derivatives of second order elastic constants of hydrides and deuterides of lithium and sodium. A comparison of the calculated properties with the available experimental results and other theoretical estimates shows the validity and reliability of the derived potential in the study of crystal anharmonicities also. (author). 43 refs, 2 figs, 4 tabs

Synthesis of deuterium-labeled fluphenazine.

Science.gov (United States)

Shetty, H U; Hawes, E M; Midha, K K

1984-01-01

The propylpiperazine side chain of fluphenazine has been labeled with two, four, and six deuterium atoms by lithium aluminum deuteride reduction of the appropriate ester or imide. The gamma-carbon of the propyl group was labeled with two deuterium atoms by reduction of 10- (2-methoxycarbonylethyl) -2-trifluoromethyl-10H-phenothiazine, while four deuterium atoms were incorporated into the piperazine ring by reduction of 10-[3-(3,5-dioxo-1-piperazinyl)propyl]-2-trifluoromethyl-10H-pheno thiazine. The latter reduction gave the d4-labeled N-deshydroxyethyl metabolite of fluphenazine.

Measurement of the Deuteron Spin Structure Function g_1^d(x) for 1 (GeV/c)^2 < Q^2 < 40 (GeV/c)^2

OpenAIRE

E155 Collaboration

1999-01-01

New measurements are reported on the deuteron spin structure function g_1^d. These results were obtained from deep inelastic scattering of 48.3 GeV electrons on polarized deuterons in the kinematic range 0.01 < x < 0.9 and 1 < Q^2 < 40 (GeV/c)^2. These are the first high dose electron scattering data obtained using lithium deuteride (6Li2H) as the target material. Extrapolations of the data were performed to obtain moments of g_1^d, including Gamma_1^d, and the net quark polarization Delta Si...

Measurement of the deuteron spin structure function $g^{d}_1(x)$ for $1\\ (GeV/c)^2 < Q^2 < 40\\ (GeV/c)^2$.

OpenAIRE

Anthony , P.L.; Arnold , R.G.; Averett , T.; Band , H.R.; Berisso , M.C.; Borel , H.; Bosted , P.E.; Bultmann , S.L.; Buenerd , M.; Chupp , T.; Churchwell , S.; Court , G.R.; Crabb , D.; Day , D.; Decowski , P.

1999-01-01

New measurements are reported on the deuteron spin structure function g_1^d. These results were obtained from deep inelastic scattering of 48.3 GeV electrons on polarized deuterons in the kinematic range 0.01 < x < 0.9 and 1 < Q^2 < 40 (GeV/c)^2. These are the first high dose electron scattering data obtained using lithium deuteride (6Li2H) as the target material. Extrapolations of the data were performed to obtain moments of g_1^d, including Gamma_1^d, and the net quark polarization Delta Si...

Conception of a target diffusible Pt. 3

International Nuclear Information System (INIS)

Peters, J.M.

1980-01-01

A new manufacturing self-replenishing target has been tested for the regeneration of deuteride titanium (γ) phase followed by the study of its behaviour under deuteron beam in the production of neutrons by the D(d,n) 3 He reaction. An interpretation of the self-replenishing mechanism is attempted here, based on diffusion and flow rate measurements through the target (Pd-Ag) (70%-30%), 0.5 mm of thickness, - Ti layer (522 μg cm -2 ). A general formula is proposed to describe the flow rate variations during the regeneration experiences. (author)

Progress in excess of power experiments with electrochemical loading of deuterium in palladium

International Nuclear Information System (INIS)

Violante, V.; Moretti, S.; Bertolotti, M.

2006-01-01

A research activity has been carried out, during the last 3 years, in the field of triggering anomalous heat effects in palladium deuteride. An enhancement of the excess of power reproducibility in deuterated palladium was obtained by using He-Ne Laser irradiation during electrochemical loading. A preliminary correlation between excess of energy and 4 He concentration increasing above the background was found. The continuation of the experimental program confirmed that Laser triggering produce an interesting gain of reproducibility. An upgrade of the experimental set-up has been realized. (author)

Reaction rates and electrical resistivities of the hydrogen isotopes with, and their solubilities in, liquid lithium

International Nuclear Information System (INIS)

Pulham, R.J.; Adams, P.F.; Hubberstey, P.; Parry, G.; Thunder, A.E.

1976-01-01

The rate of reaction, k, of hydrogen and of deuterium with liquid lithium have been determined up to pressures of 20kNm -2 and at temperatures between 230 and 270 0 C. The reaction is first order with an apparent activation energy of 52.8 and 55.2 kJmol -1 for hydrogen and deuterium, respectively. The deuterium isotope effect, k/sub H/k/sub D/, decreases from 2.95 at 230 to 2.83 at 270 0 C. Tritium is predicted to react even more slowly than deuterium. The freezing point of lithium is depressed by 0.082 and 0.075 0 C, respectively, by dissolved hydride and deuteride giving eutectics at 0.016 mol percent H and 0.012 mol percent D in the metal-salt phase diagrams. The depression and eutectic concentration are expected to be less for tritium. The increase in the resistivity of liquid lithium caused by dissolved hydrogen isotopes is linear and relatively large, 5 x 10 -8 Ωm (mol percent H or D) -1 . The solubility of lithium hydride and deuteride was determined from the marked change in resistivity on saturation. The liquidus of the metal-salt phase diagram rises steeply from the eutectic point to meet the two-immiscible liquid region. Tritium is expected to be less soluble than deuterium. The partial molar enthalpies of solution are 44.2 and 55.0 kJmol -1 for hydrogen and deuterium, respectively. These values are used to calculate the solvation enthalpies of the isotope anions in the metal

Deuterium trapping in liquid lithium irradiated by deuterium plasma

International Nuclear Information System (INIS)

Pisarev, A.; Moshkunov, K.; Vizgalov, I.; Gasparyan, Yu.

2013-01-01

Liquid lithium was irradiated by deuterium plasma to a low fluence of 10 22 –10 23 D/m 2 , cooled down to room temperature, and then slowly heated. The temperature and release rate were measured during heating. Two plateaus on the temperature–time dependence were observed at 180 °C and 660 °C. The first one corresponds to melting of Li and the second one – either to melting or to decomposition of solid LiD. Features of deuterium release in TDS were interpreted in terms of decomposition of lithium deuterides formed during plasma irradiation

A cryostat to hold frozen-spin polarized HD targets in CLAS: HDice-II

Energy Technology Data Exchange (ETDEWEB)

Lowry, M.M., E-mail: mlowry@jlab.org [Thomas Jefferson National Accelerator Facility, 12000 Jefferson Avenue, Newport News, VA 23606 (United States); Bass, C.D. [Thomas Jefferson National Accelerator Facility, 12000 Jefferson Avenue, Newport News, VA 23606 (United States); D' Angelo, A. [Thomas Jefferson National Accelerator Facility, 12000 Jefferson Avenue, Newport News, VA 23606 (United States); Universita' di Roma ‘Tor Vergata’, and INFN Sezione di Roma ‘Tor Vergata’, Via della Ricerca Scientifica, 1, I-00133 Roma (Italy); Deur, A.; Dezern, G. [Thomas Jefferson National Accelerator Facility, 12000 Jefferson Avenue, Newport News, VA 23606 (United States); Hanretty, C. [University of Virginia, 1400 University Avenue, Charlottesville, VA 22903 (United States); Ho, D. [Carnegie-Mellon University, 5000 Forbes Avenue, Pittsburgh, PA 15213 (United States); Kageya, T.; Kashy, D. [Thomas Jefferson National Accelerator Facility, 12000 Jefferson Avenue, Newport News, VA 23606 (United States); Khandaker, M. [Norfolk State University, 700 Park Avenue, Norfolk, VA 23504 (United States); Laine, V. [Thomas Jefferson National Accelerator Facility, 12000 Jefferson Avenue, Newport News, VA 23606 (United States); Université Blaise Pascal, 34 Avenue Carnot, 63000 Clermont-Ferrand (France); O' Connell, T. [University of Connecticut, 115 N Eagleville Road, Storrs-Mansfield, CT 06269 (United States); Pastor, O. [Thomas Jefferson National Accelerator Facility, 12000 Jefferson Avenue, Newport News, VA 23606 (United States); Peng, P. [University of Virginia, 1400 University Avenue, Charlottesville, VA 22903 (United States); Sandorfi, A.M. [Thomas Jefferson National Accelerator Facility, 12000 Jefferson Avenue, Newport News, VA 23606 (United States); Sokhan, D. [Institut de Physique Nucleaire, Bat 100 – M053, Orsay 91406 (France); and others

2016-04-11

The design, fabrication, operation, and performance of a {sup 3/4}He dilution refrigerator and superconducting magnet system for holding a frozen-spin polarized hydrogen deuteride target in the Jefferson Laboratory CLAS detector during photon beam running is reported. The device operates both vertically (for target loading) and horizontally (for target bombardment). The device proves capable of maintaining a base temperature of 50 mK and a holding field of 1 T for extended periods. These characteristics enabled multi-month polarization lifetimes for frozen spin HD targets having proton polarization of up to 50% and deuteron up to 27%.

Structural isotopic effect of the α/β-phase transition in the vanadium hydride and its influence on the equilibrium coefficient of separation of hydrogen isotopes in the gas-solid system

International Nuclear Information System (INIS)

Magomedbekov, Eh.P.; Bochkarev, A.V.

1999-01-01

Equilibrium coefficient of hydrogen isotope separation (α H-D ) in the system of vanadium hydride VH n (solid, n ∼ 0.7)-H 2 (g) is measured by the counterbalancing method in a circulation facility and by the method of laser desorption at 298, 373, and 437 K. It is shown that the combination of highly anharmonic potential in the lattice octahedral sites and in significant difference in the energy of hydrogen atom coordination for tetra- and octahedral sites is the reason for unusual behaviour of the hydrogen isotope separation coefficient and the difference in crystal structures of vanadium hydride and deuteride [ru

Room temperature and thermal decomposition of magnesium hydride/deuteride thin films

Energy Technology Data Exchange (ETDEWEB)

Ares, J.R.; Leardini, F.; Bodega, J.; Macia, M.D.; Diaz-Chao, P.; Ferrer, I.J.; Fernandez, J.F.; Sanchez, C. [Universidad Autonoma de Madrid (Spain). Lab. de Materiales de Interes en Energias Renovables

2010-07-01

Magnesium hydride (MgH{sub 2}) can be considered an interesting material to store hydrogen as long as two main drawbacks were solved: (i) its high stability and (ii) slow (de)hydriding kinetics. In that context, magnesium hydride films are an excellent model system to investigate the influence of structure, morphology and dimensionality on kinetic and thermodynamic properties. In the present work, we show that desorption mechanism of Pd-capped MgH{sub 2} at room temperature is controlled by a bidimensional interphase mechanism and a similar rate step limiting mechanism is observed during thermal decomposition of MgH{sub 2}. This mechanism is different to that occurring in bulk MgH{sub 2} (nucleation and growth) and obtained activation energies are lower than those reported in bulk MgH{sub 2}. We also investigated the Pd-capping properties upon H-absorption/desorption by means of RBS and isotope experiments. (orig.)

Identification of glucuronides as in vivo liver conjugates of seven cannabinoids and some of their hydroxy and acid metabolites.

Science.gov (United States)

Harvey, D J; Martin, B R; Paton, W D

1977-02-01

Glucuronide conjugates of cannabidiol (CBD), 7-hydroxy-CBD, propyl-CBD, cannabinol (CBN), 7-hydroxy-CBN, CBN-7-oic acid, propyl CBN and cannabichromene have been identified as major metabolites of CBD, CBN and their propyl homologues and of cannabichromene in mouse liver. Trace amounts of the glucuronide conjugates of delta1- and delta1(6)-tetrahydrocannabinol (THC) were also detected. Identification was made by combined gas-liquid chromatographic and mass spectrometric studies of the trimethylsilyl (TMS), d9-TMS and methyl ester-TMS derivatives of the glucuronides and the TMS derivatives of the product of the reduction of the metabolites with lithium aluminium deuteride.

Hydrogen Activation by Biomimetic Diiron Dithiolates

Science.gov (United States)

Olsen, Matthew T.; Barton, Bryan E.; Rauchfuss, Thomas B.

2009-01-01

Using the thermally stable salts of [Fe2(SR)2(CO)3(PMe3)(dppv)]BArF4, we found that the azadithiolates [Fe2(adtR)(CO)3(PMe3)(dppv)]+ react with high pressures of H2 to give the hydride [(μ-H)Fe2(adt)(CO)3(PMe3)(dppv)]BArF4. The related oxadithiolate and propanedithiolate complexes are unreactive toward H2. Molecular hydrogen is proposed to undergo heterolysis assisted by the amine followed by isomerization of an initially formed terminal hydride. Use of H2 and D2O gave the deuteride as well as the hydride, implicating protic intermediates. PMID:19603776

A study of lithium deuteride as a material for a polarized target

CERN Document Server

Bültmann, S; Day, D B; Fatemi, R D; Gardner, B; Harris, C M; Johnson, J R; Mccarthy, J S; McKee, P M; Meyer, Werner T; Penttilae, S I; Ponikvar, E; Rijllart, A; Rondon, Oscar A; Lorant, S S; Tobias, W A; Trentalange, S; Zhu, H; Zihlmann, B; Zimmermann, D

1999-01-01

Experiment E155 at the Stanford Linear Accelerator Center (SLAC) measured the spin-dependent structure of the proton and neutron, using for the first time sup 6 LiD as the polarized deuteron target material in a high-energy electron beam. This compound provides a significantly higher dilution factor than any other solid deuteron target material currently used in high-energy physics experiments. Results of the polarization behavior of the sup 6 LiD target material before and after exposure to the 50 GeV/c electron beam used in E155 are presented.

Radiolysis of lithium hydride and deuteride under the action of helium ions

International Nuclear Information System (INIS)

Belykh, T.A.; Pilipenko, G.I.

1999-01-01

Creation of Li metallic particles in the LiH and LiD crystals irradiated with 4.6 MeV He + ions is studies by the optical absorption method and the Rutherford backscattering technique. Crystal structure, shape and size of small lithium metallic particles in irradiated with the 10 13 - 10 14 cm -2 ion flux samples are determined by means of optical adsorption spectra. The lithium metallic particles have body centered crystal structure as the parent metal. The metallic particles have shape of prolate spheroid of revolution with form factor a/b ∼ 1.1 and mean size is equal to 20 nm. Process for storage of the lithium metallic particles in the range of ion flux 10 13 - 10 14 cm -2 reveals on its one stage character. Critical meaning of the ion flux equal to 2 x 10 16 cm -2 causing the surface metallization of irradiated crystal is established by means of the Rutherford backscattering method. It is studied the lithium atom distribution versus ion penetration into an irradiated crystal which revealed that the Li metallic particles are created less easily in LiD crystals in comparison with LiH [ru

A Computational Study of A Lithium Deuteride Fueled Electrothermal Plasma Mass Accelerator

OpenAIRE

Gebhart III, Gerald Edward

2013-01-01

Future magnetic fusion reactors such as tokamaks will need innovative, fast, deep-fueling systems to inject frozen deuterium-tritium pellets at high speeds and high repetition rates into the hot plasma core. There have been several studies and concepts for pellet injectors generated, and different devices have been proposed. In addition to fueling, recent studies show that it may be possible to disrupt edge localized mode (ELM) formation by injecting pellets or gas into the fusion plasma. The...

Detection of the in vivo conversion of 2-pyrrolidinone to gamma-aminobutyric acid in mouse brain.

Science.gov (United States)

Callery, P S; Stogniew, M; Geelhaar, L A

1979-01-01

Labeled gamma-aminobutyric acid was detected in mouse brain following intravenous injections of deuterium labeled 2-pyrrolidinone. [2H6]Pyrrolidinone was prepared by the reduction of [2H4]succinimide with lithium aluminum deuteride. Quantification was accomplished by a gas chromatography mass spectrometry assay method. gamma-Aminobutyric acid and internal standard, 5-aminovaleric acid, were converted to volatile derivatives by treatment with N,N-dimethylformamide dimethyl acetal. Quantitative estimates were derived from peak area measurements obtained from monitoring the parent ions of the gamma-aminobutyric acid and internal standard derivatives by repetitive scanning during the GC run. The conversion of pyrrolidinone to gamma-aminobutyric acid may provide a method for labeling central gamma-aminobutyric acid pools.

The neutrons generator becomes miniature; Le generateur de neutrons se miniaturise

Energy Technology Data Exchange (ETDEWEB)

Boulben, A

2005-05-01

A mini neutrons generator has been designed by researchers of the California university of Los Angeles which does not need any high voltage power supply ar any radioactive element. The system comprises a tubular vacuum chamber of few tenths of cm filled up with gaseous deuterium at very low pressure (0.7 Pa) and an erbium deuteride (ErD{sub 3}) screen. A lithium tantalate (LiTaO{sub 3}) pyroelectric crystal and a tungsten electrode are used to ionize and accelerate the gaseous deuterium with a minimum energy need. The collision of deuterium ions with the screen generates a maximum flow rate of about a thousand neutrons per second. Short paper. (J.S.)

SESAME 7363: A new Li(6)D equation of state

Energy Technology Data Exchange (ETDEWEB)

Sheppard, Daniel Glen [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Kress, Joel David [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Crockett, Scott [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Collins, Lee A. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); Greeff, Carl William [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

2015-09-21

A new Equation of State (EOS) for Lithium 6 Deuteride (⁶LiD) was created, sesame 7363. This EOS was released to the user community under “eos-developmental” as sesame 97363. The construction of this new EOS is a modification of a previously released EOS, sesame 7360¹. Sesame 7360 is too stiff (5-10% excess pressure) at high compressions and high temperatures (ρ = 4-110g/cm³, T = 30-10,000 eV) compared to orbital-free density-functional theory. Sesame 7363 is softer and gives a better representation of the physics over this range without compromising the agreement with the experimental and simulation data that sesame 7360 was based on.

Nuclear fusion induced by x rays in a crystal

Science.gov (United States)

Belyaev, V. B.; Miller, M. B.; Otto, J.; Rakityansky, S. A.

2016-03-01

The nuclei that constitute a crystalline lattice oscillate relative to each other with a very low energy that is not sufficient to penetrate through the Coulomb barriers separating them. An additional energy, which is needed to tunnel through the barrier and fuse, can be supplied by external electromagnetic waves (x rays or synchrotron radiation). Exposing the solid compound LiD (lithium deuteride) to x rays for the duration of 111 h, we detect 88 events of nuclear fusion d +6Li→8Be* . Our theoretical estimate agrees with what we observed. One possible application of the phenomenon we found is in measurements of the rates of various nuclear reactions (not necessarily fusion) at extremely low energies inaccessible in accelerator experiments.

Mössbauer spectra obtained using β - γ coincidence method after 57Mn implantation into LiH and LiD

Science.gov (United States)

Sato, Y.; Kobayashi, Y.; Yamada, Y.; Kubo, M. K.; Mihara, M.; Nagatomo, T.; Sato, W.; Miyazaki, J.; Tanigawa, S.; Natori, D.; Sato, S.; Kitagawa, A.

2016-12-01

Highly energetic 57Mn ( T 1/2 = 1.45 m) was generated by nuclear projectile fragmentation in a heavy-ion accelerator, and implanted into lithium hydride (LiH) and lithium deuteride (LiD) at 578 K. Mössbauer spectroscopy with β - γ coincidence detection was then carried out on the 57Fe obtained from β -decay of the 57Mn to study the time dependence of the site distributions and coordination environments of dilute Fe atoms implanted in the LiH and LiD. The results suggest that the Fe atoms can substitute for either the Li and H or D atoms within 100 ns. Additionally, the displacement behavior of the substitutional 57Fe atoms on the lattice sites is discussed.

Broken symmetry phase transition in solid p-H 2, o-D 2 and HD: crystal field effects

Science.gov (United States)

Freiman, Yu. A.; Hemley, R. J.; Jezowski, A.; Tretyak, S. M.

1999-04-01

We report the effect of the crystal field (CF) on the broken symmetry phase transition (BSP) in solid parahydrogen, orthodeuterium, and hydrogen deuteride. The CF was calculated taking into account a distortion from the ideal HCP structure. We find that, in addition to the molecular field generated by the coupling terms in the intermolecular potential, the Hamiltonian of the system contains a crystal-field term, originating from single-molecular terms in the intermolecular potential. Ignoring the CF is the main cause of the systematic underestimation of the transition pressure, characteristic of published theories of the BSP transition. The distortion of the lattice that gives rise to the negative CF in response to the applied pressure is in accord with the general Le Chatelier-Braun principle.

Thermomagnetic torque in hydrogen isotopes

International Nuclear Information System (INIS)

Cramer, J.A.

1975-01-01

The thermomagnetic torque has been measured in parahydrogen and ortho and normal deuterium for pressures from 0.10 to 2.0 torr and temperatures from 100 to 370 K. Since the torque depends on the precession of the molecular rotational magnetic moment around the field direction, coupling of the molecular nuclear spin to the rotational moment can affect the torque. Evidence of spin coupling effects is found for the torque in both deuterium modifications. In para hydrogen the torque at all temperatures and pressures exhibits behavior expected of a gas of zero nuclear spin molecules. Additionally, earlier data for hydrogen deuteride and for normal hydrogen from 105 to 374 K are evaluated and discussed. The high pressure limiting values of torque peak heights and positions for all these gases are compared with theory

Deuterium retention in liquid lithium

International Nuclear Information System (INIS)

Baldwin, M.J.; Doerner, R.P.; Luckhardt, S.C.; Conn, R.W.

2002-01-01

Measurements of deuterium retention in samples of lithium exposed in the liquid state to deuterium plasma are reported. Retention was measured as a function of plasma ion dose in the range 6x10 19 -4x10 22 D atoms and exposure temperature between 523 and 673 K using thermal desorption spectrometry. The results are consistent with the full uptake of all deuterium ions incident on the liquid metal surface and are found to be independent of the temperature of the liquid lithium over the range explored. Full uptake, consistent with very low recycling, continues until the sample is volumetrically converted to lithium deuteride. This occurs for exposure temperatures where the gas pressure during exposure was both below and slightly above the corresponding decomposition pressure for LiD in Li. (author)

The Spin Structure Function of the Proton from SLAC Experiment E155

Energy Technology Data Exchange (ETDEWEB)

McKee, P

2004-02-17

Experiment E155 at the Stanford Linear Accelerator Center (SLAC) measured the longitudinal and transverse deep inelastic structure functions of the proton and deuteron using a polarized, 48.3 GeV electron beam and solid polarized targets of ammonia ({sup 15}NH{sub 3}) for proton measurements and lithium deuteride ({sup 6}Li{sup 2}H) for deuteron measurements. Three electromagnetic spectrometers at angles of 2.75{sup o}, 5.5{sup o}, and 10.5{sup o} measured the scattered electrons. This work presents an analysis of the longitudinal structure function of the proton, g{sub 1}{sup p}(x, Q{sup 2}). Included is a re-analysis of the proton target polarization data that for the first time corrects a problem encountered which altered those measurements.

Identification of di- and tri-substituted hydroxy and ketone metabolites of delta1-tetrahydrocannabinol in mouse liver.

Science.gov (United States)

Harvey, D J; Martin, B R; Paton, W D

1977-08-01

In vivo liver metabolites of delta1-tetrahydrocannabinol (delta1-THC) were examined with a gas chromatograph--mass spectrometer--computer system as trimethylsilyl (TMS), [2H9]TMS and methyloxime-TMS derivatives. In addition to the reported monohydroxy, acid, and hydroxyacid metabolites, the following multiply substituted metabolites were identified: 2'',7-, 3'', 7-, and 6beta,7-dihydroxy-delta1-THC; 2'',6alpha,7-, and 3'',6alpha,7-trihydroxy-delta1-THC; 2''-, 3''-, and 7-hydroxy-6-oxo-delta1-THC, and 2'',7- and 3'',7-dihydroxy-6-oxo-delta1-THC. The ketones and hydroxyacids were reduced to common alcohols with lithium aluminium deuteride and the number of deuterium atoms in the product was used to distinguish the metabolic alcohols from those produced by reduction.

Sub-Doppler Frequency Metrology in HD for Tests of Fundamental Physics.

Science.gov (United States)

Cozijn, F M J; Dupré, P; Salumbides, E J; Eikema, K S E; Ubachs, W

2018-04-13

Weak transitions in the (2,0) overtone band of the hydrogen deuteride molecule at λ=1.38  μm were measured in saturated absorption using the technique of noise-immune cavity-enhanced optical heterodyne molecular spectroscopy. Narrow Doppler-free lines were interrogated with a spectroscopy laser locked to a frequency comb laser referenced to an atomic clock to yield transition frequencies [R(1)=217105181895(20)  kHz; R(2)=219042856621(28)  kHz; R(3)=220704304951(28)  kHz] at three orders of magnitude improved accuracy. These benchmark values provide a test of QED in the smallest neutral molecule, and they open up an avenue to resolve the proton radius puzzle, as well as constrain putative fifth forces and extra dimensions.

Experiences with decontaminating tritium-handling apparatus

International Nuclear Information System (INIS)

Maienschein, J.L.; Garcia, F.; Garza, R.G.; Kanna, R.L.; Mayhugh, S.R.; Taylor, D.T.

1992-01-01

Tritium-handling apparatus has been decontaminated as part of the downsizing of the LLNL Tritium Facility. Two stainless-steel glove boxes that had been used to process lithium deuteride-tritide (LiDT) slat were decontaminated using the Portable Cleanup System so that they could be flushed with room air through the facility ventilation system. In this paper the details on the decontamination operation are provided. A series of metal (palladium and vanadium) hydride storage beds have been drained of tritium and flushed with deuterium, in order to remove as much tritium as possible. The bed draining and flushing procedure is described, and a calculational method is presented which allows estimation of the tritium remaining in a bed after it has been drained and flushed. Data on specific bed draining and flushing are given

The preparation of specifically 2H-labeled benz(a)anthracenes and 7,12-dimethylbenz(a)anthracenes

International Nuclear Information System (INIS)

Hallmark, R.K.; Manning, W.B.; Muschik, G.M.

1981-01-01

The 2 + 4 cycloaddition reaction of 1,4-naphthoquinone and substituted styrenes was used to prepare 1-, 2-, 3-, and 4-bromobenz[a]anthracene-7,12-diones (BADs). The corresponding bromobenz[a]anthracenes (BAs) were prepared by aluminum tricyclohexoxide reduction of the diones. Lithiation with t-butyllithium followed by quenching with deuterium oxide gave the specifically 2 H-labeled BAs with deuterium incorporations of > 95%. The 2-, 3-, and 4-bromo-7,12-dimethylbenz[a]anthracenes (DMBAs) were prepared from the bromo BADs in moderate yield by the classical Grignard procedure. Lithium aluminum deuteride reduction gave the 2 H-DMBAs. An alternate synthesis from 3,4-dihydrobenz[a]anthracene 1-(2H)- one was used for the preparation of 1- and 2- 2 H BAs and DMBAs. (author)

Mössbauer spectra obtained using β − γ coincidence method after {sup 57}Mn implantation into LiH and LiD

Energy Technology Data Exchange (ETDEWEB)

Sato, Y.; Kobayashi, Y., E-mail: kyoshio@pc.uec.ac.jp [University of Electro-Communication, Graduate School of Engineering and Science (Japan); Yamada, Y. [Tokyo University of Science, Department of Chemistry (Japan); Kubo, M. K. [International Christian University, Division of Arts Science (Japan); Mihara, M. [Osaka University, Graduate School of Science (Japan); Nagatomo, T. [RIKEN, Nishina Center Accelerator Based Science (Japan); Sato, W. [Kanazawa University, Department of Chemistry (Japan); Miyazaki, J. [Tokyo University Agri. Technology, Department of Chemistry and Engineering (Japan); Tanigawa, S.; Natori, D. [University of Electro-Communication, Graduate School of Engineering and Science (Japan); Sato, S.; Kitagawa, A. [National Institute Radiological Sciences (NIRS) (Japan)

2016-12-15

Highly energetic {sup 57}Mn (T{sub 1/2} = 1.45 m) was generated by nuclear projectile fragmentation in a heavy-ion accelerator, and implanted into lithium hydride (LiH) and lithium deuteride (LiD) at 578 K. Mössbauer spectroscopy with β − γ coincidence detection was then carried out on the {sup 57}Fe obtained from β{sup −}decay of the {sup 57}Mn to study the time dependence of the site distributions and coordination environments of dilute Fe atoms implanted in the LiH and LiD. The results suggest that the Fe atoms can substitute for either the Li and H or D atoms within 100 ns. Additionally, the displacement behavior of the substitutional {sup 57}Fe atoms on the lattice sites is discussed.

Thermodynamic properties of lithium hydride, lithium deuteride, lithium tritide, and their solutions with lithium

International Nuclear Information System (INIS)

Shpil'rain, E.E.; Yakimovich, K.A.

1981-01-01

The paper reviews briefly experimental determinations of thermodynamic properties of the LiH-Li system. Relationships fitted to the experimental data are presented and discussed, with the aim of determining a consistent set of thermodynamic properties (enthalpy, heat capacity) for the systems Li-(LiH, LiD, LiT) in the solid state and in the melt. (author)

Quantum mechanical ab initio simulation of the electron screening effect in metal deuteride crystals

Energy Technology Data Exchange (ETDEWEB)

Huke, A.; Chun, S.M.; Biller, A.; Heide, P. [Technische Universitaet Berlin, Institut fuer Optik und Atomare Physik, Berlin (Germany); Czerski, K. [Technische Universitaet Berlin, Institut fuer Optik und Atomare Physik, Berlin (Germany); University of Szczecin, Institute of Physics, Szczecin (Poland)

2008-02-15

In antecedent experiments the electron screening energies of the d+d reactions in metallic environments have been determined to be enhanced by an order of magnitude in comparison to the case of gaseous deuterium targets. The analytical models describing averaged material properties have not been able to explain the experimental results so far. Therefore, a first effort has been undertaken to simulate the dynamics of reacting deuterons in a metallic lattice by means of an ab initio Hartree-Fock calculation of the total electrostatic force between the lattice and the successively approaching deuterons via path integration. The calculations have been performed for Li and Ta, clearly showing a migration of electrons from host metallic to the deuterium atoms. However, in order to avoid more of the necessary simplifications in the model the utilization of a massive parallel supercomputer would be required. (orig.) 3.

Decomposition of thin titanium deuteride films: thermal desorption kinetics studies combined with microstructure analysis

NARCIS (Netherlands)

Lisowski, W.F.; Keim, Enrico G.; Kaszkur, Zbigniew; Smithers, M.A.; Smithers, Mark A.

2008-01-01

The thermal evolution of deuterium from thin titanium films, prepared under UHV conditions and deuterated in situ at room temperature, has been studied by means of thermal desorption mass spectrometry (TDMS) and a combination of scanning electron microscopy (SEM), transmission electron microscopy

Review of some past and present powder metallurgy programs at the Los Alamos Scientific Laboratory

International Nuclear Information System (INIS)

Sheinberg, H.

1977-07-01

A new process is described for molding and extruding complicated shapes of uranium-loaded graphite to close tolerances for use in nuclear propulsion engines. The process for hot-pressing copper-boron carbide and forming it into sheet for use as neutronic control material for these engines is also described. Fabrication procedure and deformation testing of carbide-graphite composites for fuel element supports are outlined, as is the procedure for fabricating tungsten-thoria heat shields for these reactors. Details are given for production of uranium carbide-zirconium carbide solid-solution powder and fabrication of this powder and molybdenum uranium oxide powder into fuel pins for thermionic reactors. Methods and details are given for spheroidization of lithium deuteride to be used as laser fusion targets and for quality upgrading and characterization of micron-size balloons for that use

Preparation of specifically dideuterated octadecanoates and oxooctadecanoates.

Science.gov (United States)

Tulloch, A P

1977-01-01

Sixteen methyl gem dideuterooctadecanoates with two deuterium atoms at positions 2- to 17- and seven oxo esters, 8-oxooctadecanoate-5,5-d(2), 8-oxooctadecanoate-11, 11-d(2), 11-oxooctadecanoate-8,8-d(2), 11-oxooctadecanoate-14,14-d(2), 12-oxooctadecanoate-9,9-d(2), 7-oxooctadecanoate-10,10-d(2) and 13-oxooctadecanoate-16,16-d(2) with two deuteriums on the carbon gamma to the oxo group, have been synthesized. Two prinicipal methods of introducing deuterium were used: preparation of 2,2-dideutero acids by exchange with deuterium oxide followed by chain extension giving dideuteroxooctadecanoates, which were then reduced, as tosylhydrazones, with sodium cyanoborohydride to dideuterooctadecanoates and stepwise introduction by reduction of oxooctadecanoates with sodium borodeuteride, formation of tosylate or mesylate, reduction with lithium aluminum deuteride to tetradeuterooctadecanol and oxidation to dideuterooctadecanoic acid.

Hydrogen isotope effect on storage behavior of U{sub 2}Ti and UZr{sub 2.3}

Energy Technology Data Exchange (ETDEWEB)

Jat, Ram Avtar; Sawant, S.G.; Rajan, M.B.; Dhanuskar, J.R. [Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Kaity, Santu [Radiometallurgy Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India); Parida, S.C., E-mail: sureshp@barc.gov.in [Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400 085 (India)

2013-11-15

U{sub 2}Ti and UZr{sub 2.3} alloys were prepared by arc melting method, vacuum annealed and characterized by XRD, SEM and EDX methods. Hydrogen isotope effect on the storage behavior of these alloys were studied by measuring the hydrogen/deuterium desorption pressure–composition–temperature (PCT) profiles in the temperature range of 573–678 K using a Sievert’s type volumetric apparatus. It was observed that, in the temperature and pressure range of investigation, all the isotherms show a single desorption plateau. The PCT data reveals that both U{sub 2}Ti and UZr{sub 2.3} alloys had normal isotope effects on hydrogen/deuterium desorption at all experimental temperatures. Thermodynamic parameters for dehydrogenation and dedeuteration reactions of the corresponding hydrides and deuterides of the above alloys were deduced from the PCT data.

Preliminary design of experiment high power density laser beam interaction with plasmas and development of a cold cathode electron beam laser amplifier

International Nuclear Information System (INIS)

Mosavi, R.K.; Kohanzadeh, Y.; Taherzadeh, M.; Vaziri, A.

1976-01-01

This experiment is designed to produce plasma by carbon dioxide pulsed laser, to measure plasma parameters and to study the interaction of the produced plasma with intense laser beams. The objectives of this experiment are the following: 1. To set up a TEA CO 2 laser oscillator and a cold cathode electron beam laser amplifier together as a system, to produce high energy optical pulses of short duration. 2. To achieve laser intensities of 10 11 watt/cm 2 or more at solid targets of polyethylene (C 2 H 4 )n, lithium hydride (LiH), and lithium deuteride in order to produce high temperature plasmas. 3. To design and develop diagnostic methods for studies of laser-induced plasmas. 4. To develop a high power CO 2 laser amplifier for the purpose of upgrading the optical energy delivered to the targets

Radiation-induced defect-formation in lithium hydride and deuteride monocrystals. [Electron and X-ray irradiation

Energy Technology Data Exchange (ETDEWEB)

Pustovarov, V.A.; Betenekova, T.A.; Zav' yalov, N.A.; Cholakh, S.O. (Ural' skij Politekhnicheskij Inst., Sverdlovsk (USSR))

1983-08-01

Methods of stationary and pulse absorption spectroscopy were used to investigate into processes of formation and decay of radiation defects in cubic LiH and LiD crystals. F- and V-centers form at low temperatures during crystal irradiation by photons, creating excitons selectively, accelerator electrons, X-ray radiation. Analysis of possible mechanisms of defect formation shows that radiation defect formation in LiH is based on radiationless exciton decay. It is shown that efficiency of F- and V-centers generation in pure and impure crystals in 80-298 K range is the same. Exciton decay with formation of Frenkel radiation defects in pure LiH and LiD crystals takes place, probably, in regular crystal lattice points. Process of radiation defect formation as a result of near activator exciton decay takes place in impure LiH-Na, LiD-Na crystals.

Deuterium absorption in CANDU Zr-2.5Nb pressure tubes

International Nuclear Information System (INIS)

Ploc, R.A.; McRae, G.A.

1999-12-01

Corrosion of CANDU Zr-2.5%Nb pressure tubes in heavy water results in the formation of an oxide film and the absorption of deuterium by the alloy. If deuterium concentrations are allowed to exceed the terminal solid solubility of the alloy, brittle deuterides can form, thereby limiting the service life of a component. In CANDU pressure tubes, ingress rates are largely determined by the metastable β-Zr that is present as a thin layer encasing the predominant α-Zr grains (approximately 90% by volume). The distribution and continuity of the corroded β-phase in the oxide provides a pervasive web for the development of interconnected porosity from the free surface to the oxide/metal interface. Changing the distribution of the β-phase in the alloy changes the nature of the oxide porosity, a technique that can be used to reduce deuterium ingress rates. (author)

Swelling and outgassing of heavily-irradiated lithium hydride

International Nuclear Information System (INIS)

Souers, P.C.; Ackerman, F.J.; Biel, T.J.; Bigwood, J.; Brite, V.; Christensen, L.D.; Folkers, C.L.; Gede, V.; Griffith, C.M.; Huss, E.B.; Lindahl, R.; McCreary, T.; Otsuki, H.H.; Pond, R.L.; Snider, G.D.; Stanhope, C.; Stump, R.K.; Vanderhoofven, F.; Tsugawa, R.T.; Anderson, J.L.; Carstens, D.W.H.; Drumhiller, W.L.; Lewis, W.B.; Nasise, J.E.; Pretzel, F.E.; Szklarz, E.G.; Vier, D.T.; Bowman, R.C. Jr.; Attalla, A.

1988-01-01

Twenty-two years worth of data on lithium deuteride-tritide (Li(D, T)) from three national laboratories is presented. The percent linear swelling and the outgassing of hydrogen isotopes and 3 He for samples stored at 243 to 438 K are presented in summary tables. In some cases, up to a full half-life of tritium (12 years) has been spent in the study. Initial tritium concentrations range from 2 to 98 at%. The precision of the swelling is considered, and the evidence is ambiguous as to whether temperature cycling and handling affects swelling. The early outgassing is all hydrogen, but it turns to helium at long lines. The outgassing levels out for each sample but the amount outgassed varies wildly from sample to sample. At linear swellings beyond 11%, behavior becomes erratic. A maximum linear swelling of 23% is seen for one sample at 5000 days. (orig.)

Deuterium absorption in CANDU Zr-2.5Nb pressure tubes

Energy Technology Data Exchange (ETDEWEB)

Ploc, R.A.; McRae, G.A

1999-12-01

Corrosion of CANDU Zr-2.5%Nb pressure tubes in heavy water results in the formation of an oxide film and the absorption of deuterium by the alloy. If deuterium concentrations are allowed to exceed the terminal solid solubility of the alloy, brittle deuterides can form, thereby limiting the service life of a component. In CANDU pressure tubes, ingress rates are largely determined by the metastable {beta}-Zr that is present as a thin layer encasing the predominant {alpha}-Zr grains (approximately 90% by volume). The distribution and continuity of the corroded {beta}-phase in the oxide provides a pervasive web for the development of interconnected porosity from the free surface to the oxide/metal interface. Changing the distribution of the {beta}-phase in the alloy changes the nature of the oxide porosity, a technique that can be used to reduce deuterium ingress rates. (author)

Slow neutron scattering in molecular crystals. 5-4

International Nuclear Information System (INIS)

Inoue, Kazuhiko

1976-01-01

The utilization of incoherent inelastic neutron scattering (INS) as a probe for molecular crystals is reviewed. In particular, some typical examples of the measurement of incoherent inelastic neutron scattering spectra (INSS) in molecular crystals are presented in the first section of this report. The results of measurement are shown for theta-xylene, benzene, polypropylene oxide, deuteride, and formic acid. The second section presents an equation for the incoherent scattering cross section of a crystal by dividing the molecular motion into the outer and inner modes. Phonon expansion is also used for the easy understanding of the relation between the INSS and the dynamic characteristics of molecular crystals. In the third section, the measured results are analyzed on the basis of the theory presented in the previous section. And the difference between the van der Waals bond and the hydrogen bond is shortly discussed. (Aoki, K.)

Biotransformation of cannabidiol in mice. Identification of new acid metabolites.

Science.gov (United States)

Martin, B R; Harvey, D J; Paton, W D

1977-01-01

The in vivo metabolism of cannabidiol (CBD) was investigated in mice. Following the ip administration of CBD to mice, livers were removed and metabolites were extracted with ethyl acetate prior to partial purification on Sephadex LH-20 columns. Fractions from the columns were converted into trimethylsilyl, d9-trimethylsilyl, and methylester-trimethylsilyl derivatives for analysis by gas-liquid chromatography-mass spectrometry. In addition, metabolites containing carboxylic acid and ketone functional groups were reduced to alcohols with lithium aluminum deuteride before trimethylsilation. A total of 22 metabolites were characterized, 14 of which had not been reported previously. The metabolites could be categorized as follows: monohydroxylated (N=2), dihydroxylated (N=3), CBD-7-oic acid, side chain hydroxy-GBD-7-oic acids (N=3), side-chain acids (N=3), 7-hydroxy-side-chain acids (N=4), 6-oxo-side-chain acids (N=3) and glucuronide conjugates (N=3). The most significant biotransformations were glucuronide conjugation and, to a lesser extent, formation of CBD-7-oic acid.

Another Look at the Mechanisms of Hydride Transfer Enzymes with Quantum and Classical Transition Path Sampling.

Science.gov (United States)

Dzierlenga, Michael W; Antoniou, Dimitri; Schwartz, Steven D

2015-04-02

The mechanisms involved in enzymatic hydride transfer have been studied for years, but questions remain due, in part, to the difficulty of probing the effects of protein motion and hydrogen tunneling. In this study, we use transition path sampling (TPS) with normal mode centroid molecular dynamics (CMD) to calculate the barrier to hydride transfer in yeast alcohol dehydrogenase (YADH) and human heart lactate dehydrogenase (LDH). Calculation of the work applied to the hydride allowed for observation of the change in barrier height upon inclusion of quantum dynamics. Similar calculations were performed using deuterium as the transferring particle in order to approximate kinetic isotope effects (KIEs). The change in barrier height in YADH is indicative of a zero-point energy (ZPE) contribution and is evidence that catalysis occurs via a protein compression that mediates a near-barrierless hydride transfer. Calculation of the KIE using the difference in barrier height between the hydride and deuteride agreed well with experimental results.

Modeling of hydrogen isotopes separation in a metal hydride bed

International Nuclear Information System (INIS)

Charton, S.; Corriou, J.P.; Schweich, D.

1999-01-01

A predictive model for hydrogen isotopes separation in a non-isothermal bed of unsupported palladium hydride particles is derived. It accounts for the non-linear adsorption-dissociation equilibrium, hydrodynamic dispersion, pressure drop, mass transfer kinetics, heat of sorption and heat losses at the bed wall. Using parameters from the literature or estimated with classical correlations, the model gives simulated curves in agreement with previously published experiments without any parameter fit. The non-isothermal behavior is shown to be responsible for drastic changes of the mass transfer rate which is controlled by diffusion in the solid-phase lattice. For a feed at 300 K and atmospheric pressure, the endothermic hydride-to-deuteride exchange is kinetically controlled, whereas the reverse exothermic exchange is nearly at equilibrium. Finally, a simple and efficient thermodynamic model for the dissociative equilibrium between a metal and a diatomic gas is proposed. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

Atomic-scale Studies of Uranium Oxidation and Corrosion by Water Vapour.

Science.gov (United States)

Martin, T L; Coe, C; Bagot, P A J; Morrall, P; Smith, G D W; Scott, T; Moody, M P

2016-07-12

Understanding the corrosion of uranium is important for its safe, long-term storage. Uranium metal corrodes rapidly in air, but the exact mechanism remains subject to debate. Atom Probe Tomography was used to investigate the surface microstructure of metallic depleted uranium specimens following polishing and exposure to moist air. A complex, corrugated metal-oxide interface was observed, with approximately 60 at.% oxygen content within the oxide. Interestingly, a very thin (~5 nm) interfacial layer of uranium hydride was observed at the oxide-metal interface. Exposure to deuterated water vapour produced an equivalent deuteride signal at the metal-oxide interface, confirming the hydride as originating via the water vapour oxidation mechanism. Hydroxide ions were detected uniformly throughout the oxide, yet showed reduced prominence at the metal interface. These results support a proposed mechanism for the oxidation of uranium in water vapour environments where the transport of hydroxyl species and the formation of hydride are key to understanding the observed behaviour.

Atomic-scale Studies of Uranium Oxidation and Corrosion by Water Vapour

Science.gov (United States)

Martin, T. L.; Coe, C.; Bagot, P. A. J.; Morrall, P.; Smith, G. D. W.; Scott, T.; Moody, M. P.

2016-07-01

Understanding the corrosion of uranium is important for its safe, long-term storage. Uranium metal corrodes rapidly in air, but the exact mechanism remains subject to debate. Atom Probe Tomography was used to investigate the surface microstructure of metallic depleted uranium specimens following polishing and exposure to moist air. A complex, corrugated metal-oxide interface was observed, with approximately 60 at.% oxygen content within the oxide. Interestingly, a very thin (~5 nm) interfacial layer of uranium hydride was observed at the oxide-metal interface. Exposure to deuterated water vapour produced an equivalent deuteride signal at the metal-oxide interface, confirming the hydride as originating via the water vapour oxidation mechanism. Hydroxide ions were detected uniformly throughout the oxide, yet showed reduced prominence at the metal interface. These results support a proposed mechanism for the oxidation of uranium in water vapour environments where the transport of hydroxyl species and the formation of hydride are key to understanding the observed behaviour.

Use of binary alloys of the lanthanides for tritium recovery from CTR blankets

International Nuclear Information System (INIS)

Carstens, D.H.W.

1978-01-01

Liquid binary alloys of the lanthanide metals have been proposed as getters of tritium from breeder blankets of controlled thermonuclear reactors. Because of the high stability of the lanthanide hydrides at reactor temperatures (500--1000 0 C), these alloys should prove highly efficient in this application and a series of experiments designed to test this applicability are summarized here. Sieverts' experiments using deuterium were carried out on a series of alloys of La and Ce. For eutectics of the approximate composition Ln 5 M where Ln is La or Ce and M is an iron-group metal, it was found that the deuteriding capacities and the equilibrium pressures were close to those of the parent metal. Experiments measuring the extraction rate of low-level tritium from helium streams using La 5 . 25 Ni were carried out. The tritium was rapidly gettered down to about 10 ppM and more slowly over periods of 1--2 h to below 0.1 ppM

Erosion of volatile elemental condensed gases by keV electron and light-ion bombardment

International Nuclear Information System (INIS)

Schou, J.

1991-11-01

Erosion of the most volatile elemental gases by keV electron and light-ion bombardment has been studied at the experimental setup at Risoe. The present work includes frozen neon, argon, krypton, nitrogen, oxygen and three hydrogen isotopes, deuterium, hydrogen deuteride and hydrogen. The yield of these condensed gases has been measured as a function of film thickness and primary energy for almost all combinations of primary particles (1-3 keV electrons, 5-10 keV hydrogen- and helium ions) and ices. These and other existing results show that there are substantial common features for the sputtering of frozen elemental gases. Within the two groups, the solid rare gases and the solid molecular gases, the similarity is striking. The hydrogenic solids deviate in some respects from the other elements. The processes that liberate kinetic energy for the particle ejection in sputtering are characteristic of the specific gas. (au) 3 tabs., 12 ills., 159 refs

Polarization Observables from two-pion and ρ meson photoproduction on polarized HD target at JLab

Energy Technology Data Exchange (ETDEWEB)

Zonta, Irene [Univ. of Rome, Tor Vergata (Italy)

2015-05-01

The preliminary results discussed in this theses have been carried out with the Nuclear Physics group of the Department of Physics at the University of Rome Tor Vergata, under the supervision of Prof. A. D’Angelo.On March 2012 I joined the CLAS collaboration at the Thomas Jefferson National Laboratory, in Virginia, USA, and became a term member after a probation period of 9 months. As a member I could participate to the g14 data taking, started on November 18th 2011 and finished on May 18th 2012. In that period I was in charge of the timing calibration of the CLAS forward electromagnetic spectrometer. For the duration of the experiment, I was also responsible of the Raman laboratory located at the University of Rome Tor Vergata, where the Raman measurements were performed. The Raman measurements were crucial for determining the relative concentrations of H₂ and D₂ in the Hydrogen-Deuteride gas which was used for the target of the g14 experiment.

Dissolution and clearance of titanium tritide particles in the lungs of F344/Crl rats

Energy Technology Data Exchange (ETDEWEB)

Cheng, Yung-Sung; Snipes, M.B.; Wang, Yansheng

1995-12-01

Metal tritides are compounds in which the radioactive isotope tritium, following adsorption onto the metal, forms a stable chemical compound with the metal. When particles of tritiated metals become airborne, they can be inhaled by workers. Because the particles may be retained in the lung for extended periods, the resulting dose will be greater than doses following exposure to tritium gas or tritium oxide (HTO). Particles of triated metals may be dispersed into the air during routine handling, disruption of contaminated metals, or as a result of spontaneous radioactive decay processes. Unlike metal hydrides and deuterides, tritides are radioactive, and the decay of the tritium atoms affects the metal. Because helium is a product of the decay, helium bubbles form within the metal tritide matrix. The pressure from these bubbles leads to respirable particles breaking off from the tritide surface. Our results show that a substantial amount of titanium tritide remains in the rat lung 10 d after intratracheal instillation, confirming results previously obtain in an in vitro dissolution study.

Liquid Lithium Limiter Effects on Tokamak Plasmas and Plasma-Liquid Surface Interactions

Energy Technology Data Exchange (ETDEWEB)

R. Kaita; R. Majeski; R. Doerner; G. Antar; M. Baldwin; R. Conn; P. Efthimion; M. Finkenthal; D. Hoffman; B. Jones; S. Krashenninikov; H. Kugel; S. Luckhardt; R. Maingi; J. Menard; T. Munsat; D. Stutman; G. Taylor; J. Timberlake; V. Soukhanovskii; D. Whyte; R. Woolley; L. Zakharov

2002-10-15

We present results from the first experiments with a large area liquid lithium limiter in a magnetic fusion device, and its effect on improving plasma performance by reducing particle recycling. Using large area liquid metal surfaces in any major fusion device is unlikely before a test on a smaller scale. This has motivated its demonstration in the CDX-U spherical torus with a unique, fully toroidal lithium limiter. The highest current discharges were obtained with a liquid lithium limiter. There was a reduction in recycling, as indicated by a significant decrease in the deuterium-alpha emission and oxygen radiation. How these results might extrapolate to reactors is suggested in recycling/retention experiments with liquid lithium surfaces under high-flux deuterium and helium plasma bombardment in PISCES-B. Data on deuterium atoms retained in liquid lithium indicate retention of all incident ions until full volumetric conversion to lithium deuteride. The PISCES-B results also show a material loss mechanism that lowers the maximum operating temperature compared to that for the liquid surface equilibrium vapor pressure. This may restrict the lithium temperature in reactors.

Reaction of 11 C-benzoyl chlorides with metalloid reagents: 11 C-labeling of benzyl alcohols, benzaldehydes, and phenyl ketones from [11 C]CO.

Science.gov (United States)

Roslin, Sara; Dahl, Kenneth; Nordeman, Patrik

2018-01-26

In this article, we describe the carbon-11 ( 11 C, t 1/2  = 20.4 minutes) labeling of benzyl alcohols, benzaldehydes, and ketones using an efficient 2-step synthesis in which 11 C-carbon monoxide is used in an initial palladium-mediated reaction to produce 11 C-benzoyl chloride as a key intermediate. In the second step, the obtained 11 C-benzoyl chloride is further treated with a metalloid reagent to furnish the final 11 C-labeled product. Benzyl alcohols were obtained in moderated to high non-isolated radiochemical yields (RCY, 35%-90%) with lithium aluminum hydride or lithium aluminum deuteride as metalloid reagent. Changing the metalloid reagent to either tributyltin hydride or sodium borohydride, allowed for the reliable syntheses of 11 C-benzaldehydes in RCYs ranging from 58% to 95%. Finally, sodium tetraphenylborate were utilized to obtain 11 C-phenyl ketones in high RCYs (77%-95%). The developed method provides a new and efficient route to 3 different classes of compounds starting from aryl iodides or aryl bromides. Copyright © 2018 John Wiley & Sons, Ltd.

In vivo metabolism of cannabinol by the mouse and rat and a comparison with a metabolism of delta 1-tetrahydrocannabinol and cannabidiol.

Science.gov (United States)

Harvey, D J; Martin, B R; Paton, W D

1977-12-01

The in vivo liver metabolism of cannabinol has been studied in the mouse and rat by combined gas chromatography and mass spectrometry. Cannabinol glucuronide was the major metabolite of cannabinol in the mouse and was accompanied by relatively large amounts of 7-hydroxycannabinol, cannabinol-7-oic acid and their corresponding glucuronide conjugates. Lower concentrations of glucuronides were found in the rat. Two series of disubstituted metabolites were found containing either a 7-hydroxyl or a 7-carboxylic acid group and a second hydroxyl group in the 1 inch-4 inch positions of the sidechain. These were of low concentration in the mouse but higher in the rat; 1 inch-hydroxy metabolites were particularly abundant in the latter species. Also found in the rat livers were small amounts of sidechain monohydroxy metabolites and larger quantities of 4 inches, 5 inches-bisnorcannabinol-3 inches-oic acid; these were absent in the mouse. The metabolites were identified using the trimethylsilyl (TMS), [2H9] TMS and methyl ester-TMS derivatives, and by reduction of acid metabolites with lithium aluminium deuteride to the corresponding alcohols.

Experimental study of the evaporation and expansion of a solid pellet in a plasma heated by an electron beam

International Nuclear Information System (INIS)

Akent'ev, R.Yu.; Arzhannikov, A.V.; Astrelin, V.T.; Burdakov, A.V.; Ivanov, I.A.; Kojdan, V.S.; Mekler, K.I.; Polosatkin, S.V.; Postupaev, V.V.; Rovenskikh, A.F.; Sinitskij, S.L.

2004-01-01

The results of experiments on the solid pellets injection into the plasma, heated by an electron beam at the GOL-3 facility, are presented. The polyethylene pellets with the mass of 0.1-1 mg and lithium deuteride pellets with the mass of 0.02-0.5 mg were used. The dense plasma bunch, scattering at first spherically, is formed during several microseconds after the beginning of the electron beam injection into the plasma. Thereafter the bunch periphery is heated and becomes magnetized. Further there takes place the expansion of the dense plasma along the magnetic field on the order of 300 km/s. Comparison of the observed values with the calculations by the hydrodynamic model indicates, that for explaining such a rate of the bunch expansion the density of the total energy, falling on the pellet, should be ∼1 kJ/cm 2 . This value exceeds the corresponding value for the main plasma, i.e. there is observed the energy concentration across the magnetic field into the dense bunch of the evaporated macroparticle [ru

Synthesis of trans-4,5-epoxy-(E)-2-decenal and its deuterated analog used for the development of a sensitive and selective quantification method based on isotope dilution assay with negative chemical ionization.

Science.gov (United States)

Lin, J; Fay, L B; Welti, D H; Blank, I

1999-10-01

The volatile compound trans-4,5-epoxy-(E)-2-decenal (1) was synthesized in two steps with good overall yields. The newly developed method is based on trans-epoxidation of (E)-2-octenal with alkaline hydrogen peroxide followed by a Wittig-type chain elongation with the ylide formylmethylene triphenylphosphorane. For the synthesis of [4,5-2H2]-trans-4,5-epoxy-(E)-2-decenal (d-1), [2,3-2H2]-(E)-2-octenal was prepared by reduction of 2-octyn-1-ol with lithium aluminum deuteride and subsequent oxidation of [2,3-2H2]-(E)-2-octen-1-ol with manganese oxide. Compound d1 was used as internal standard for the quantification of 1 by isotope dilution assay. Among various mass spectrometry (MS) ionization techniques tested, negative chemical ionization with ammonia as reagent gas gave best results with respect to both sensitivity and selectivity. The detection limit was found to be at about 1 pg of the analyte introduced into the gas chromatography-MS system.

Toward a Determination of the Proton-Electron Mass Ratio from the Lamb-Dip Measurement of HD

Science.gov (United States)

Tao, L.-G.; Liu, A.-W.; Pachucki, K.; Komasa, J.; Sun, Y. R.; Wang, J.; Hu, S.-M.

2018-04-01

Precision spectroscopy of the hydrogen molecule is a test ground of quantum electrodynamics (QED), and it may serve for the determination of fundamental constants. Using a comb-locked cavity ring-down spectrometer, for the first time, we observed the Lamb-dip spectrum of the R (1 ) line in the overtone of hydrogen deuteride (HD). The line position was determined to be 217 105 182.79 ±0.03stat±0.08syst MHz (δ ν /ν =4 ×10-10 ), which is the most accurate rovibrational transition ever measured in the ground electronic state of molecular hydrogen. Moreover, from calculations including QED effects up to the order meα6, we obtained predictions for this R (1 ) line as well as for the HD dissociation energy, which are less accurate but signaling the importance of the complete treatment of nonadiabatic effects. Provided that the theoretical calculation reaches the same accuracy, the present measurement will lead to a determination of the proton-to-electron mass ratio with a precision of 1.3 parts per billion.

Isotope exchange between gaseous hydrogen and uranium hydride powder

International Nuclear Information System (INIS)

Shugard, Andrew D.; Buffleben, George M.; Johnson, Terry A.; Robinson, David B.

2014-01-01

Highlights: • Isotope exchange between hydrogen gas and uranium hydride powder can be rapid and reversible. • Gas–solid exchange rate is controlled by transport within ∼0.7 μm hydride particles. • Gas chromatographic separation of hydrogen isotopes using uranium hydride is feasible. - Abstract: Isotope exchange between gaseous hydrogen and solid uranium hydride has been studied by flowing hydrogen (deuterium) gas through packed powder beds of uranium deuteride (hydride). We used a residual gas analyzer system to perform real-time analysis of the effluent gas composition. We also developed an exchange and transport model and, by fitting it to the experimental data, extracted kinetic parameters for the isotope exchange reaction. Our results suggest that, from approximately 70 to 700 kPa and 25 to 400 °C, the gas-to-solid exchange rate is controlled by hydrogen and deuterium transport within the ∼0.7 μm diameter uranium hydride particles. We use our kinetic parameters to show that gas chromatographic separation of hydrogen and deuterium using uranium hydride could be feasible

Structure-based predictions of 13C-NMR chemical shifts for a series of 2-functionalized 5-(methylsulfonyl)-1-phenyl-1H-indoles derivatives using GA-based MLR method

Science.gov (United States)

Ghavami, Raouf; Sadeghi, Faridoon; Rasouli, Zolikha; Djannati, Farhad

2012-12-01

Experimental values for the 13C NMR chemical shifts (ppm, TMS = 0) at 300 K ranging from 96.28 ppm (C4' of indole derivative 17) to 159.93 ppm (C4' of indole derivative 23) relative to deuteride chloroform (CDCl3, 77.0 ppm) or dimethylsulfoxide (DMSO, 39.50 ppm) as internal reference in CDCl3 or DMSO-d6 solutions have been collected from literature for thirty 2-functionalized 5-(methylsulfonyl)-1-phenyl-1H-indole derivatives containing different substituted groups. An effective quantitative structure-property relationship (QSPR) models were built using hybrid method combining genetic algorithm (GA) based on stepwise selection multiple linear regression (SWS-MLR) as feature-selection tools and correlation models between each carbon atom of indole derivative and calculated descriptors. Each compound was depicted by molecular structural descriptors that encode constitutional, topological, geometrical, electrostatic, and quantum chemical features. The accuracy of all developed models were confirmed using different types of internal and external procedures and various statistical tests. Furthermore, the domain of applicability for each model which indicates the area of reliable predictions was defined.

Experiences with decontaminating tritium-handling apparatus

International Nuclear Information System (INIS)

Maienschein, J.L.; Garcia, F.; Garza, R.G.; Kanna, R.L.; Mayhugh, S.R.; Taylor, D.T.

1991-07-01

Tritium-handling apparatus has been decontaminated as part of the shutdown of the LLNL Tritium Facility. Two stainless-steel gloveboxes that had been used to process lithium deuteride-tritide (LiDT) salt were decontaminated using the Portable Cleanup System so that they could be flushed with room air through the facility ventilation system. Further surface decontamination was performed by scrubbing the interior with paper towels and ethyl alcohol or Swish trademark. The surface contamination, as shown by swipe surveys, was reduced from 4x10 4 --10 6 disintegrations per minute (dpm)/cm 2 to 2x10 2 --4x10 4 dpm/cm 2 . Details on the decontamination operation are provided. A series of metal (palladium and vanadium) hydride storage beds have been drained of tritium and flushed with deuterium in order to remove as much tritium as possible. The bed draining and flushing procedure is described, and a calculational method is presented which allows estimation of the tritium remaining in a bed after it has been drained and flushed. Data on specific bed draining and flushing are given

On the thermodynamics of phase transitions in metal hydrides

Science.gov (United States)

di Vita, Andrea

2012-02-01

Metal hydrides are solutions of hydrogen in a metal, where phase transitions may occur depending on temperature, pressure etc. We apply Le Chatelier's principle of thermodynamics to a particular phase transition in TiH x , which can approximately be described as a second-order phase transition. We show that the fluctuations of the order parameter correspond to fluctuations both of the density of H+ ions and of the distance between adjacent H+ ions. Moreover, as the system approaches the transition and the correlation radius increases, we show -with the help of statistical mechanics-that the statistical weight of modes involving a large number of H+ ions (`collective modes') increases sharply, in spite of the fact that the Boltzmann factor of each collective mode is exponentially small. As a result, the interaction of the H+ ions with collective modes makes a tiny suprathermal fraction of the H+ population appear. Our results hold for similar transitions in metal deuterides, too. A violation of an -insofar undisputed-upper bound on hydrogen loading follows.

Liquid Lithium Limiter Effects on Tokamak Plasmas and Plasma-Liquid Surface Interactions

International Nuclear Information System (INIS)

Kaita, R.; Majeski, R.; Doerner, R.; Antar, G.; Baldwin, M.; Conn, R.; Efthimion, P.; Finkenthal, M.; Hoffman, D.; Jones, B.; Krashenninikov, S.; Kugel, H.; Luckhardt, S.; Maingi, R.; Menard, J.; Munsat, T.; Stutman, D.; Taylor, G.; Timberlake, J.; Soukhanovskii, V.; Whyte, D.; Woolley, R.; Zakharov, L.

2002-01-01

We present results from the first experiments with a large area liquid lithium limiter in a magnetic fusion device, and its effect on improving plasma performance by reducing particle recycling. Using large area liquid metal surfaces in any major fusion device is unlikely before a test on a smaller scale. This has motivated its demonstration in the CDX-U spherical torus with a unique, fully toroidal lithium limiter. The highest current discharges were obtained with a liquid lithium limiter. There was a reduction in recycling, as indicated by a significant decrease in the deuterium-alpha emission and oxygen radiation. How these results might extrapolate to reactors is suggested in recycling/retention experiments with liquid lithium surfaces under high-flux deuterium and helium plasma bombardment in PISCES-B. Data on deuterium atoms retained in liquid lithium indicate retention of all incident ions until full volumetric conversion to lithium deuteride. The PISCES-B results also show a material loss mechanism that lowers the maximum operating temperature compared to that for the liquid surface equilibrium vapor pressure. This may restrict the lithium temperature in reactors

Liquid lithium limiter effects on tokamak plasmas and plasma-liquid surface interactions

International Nuclear Information System (INIS)

Kaita, R.; Majeski, R.; Doerner, R.

2003-01-01

We present results from the first experiments with a large area liquid lithium limiter in a magnetic fusion device, and its effect on improving plasma performance by reducing particle recycling. Using large area liquid metal surfaces in any major fusion device is unlikely before a test on a smaller scale. This has motivated its demonstration in the CDX-U spherical torus with a unique, fully toroidal lithium limiter. The highest current discharges were obtained with a liquid lithium limiter. There was a reduction in recycling, as indicated by a significant decrease in the deuterium-alpha emission and oxygen radiation. How these results might extrapolate to reactors is suggested in recycling/retention experiments with liquid lithium surfaces under high-flux deuterium and helium plasma bombardment in PISCES-B. Data on deuterium atoms retained in liquid lithium indicate retention of all incident ions until full volumetric conversion to lithium deuteride. The PISCES-B results also show a material loss mechanism that lowers the maximum operating temperature compared to that for the liquid surface equilibrium vapor pressure. This may restrict the lithium temperature in reactors. (author)

Expeditious syntheses of stable and radioactive isotope-labeled anticonvulsant agent, JNJ-26990990, and its metabolites.

Science.gov (United States)

Lin, Ronghui; Weaner, Larry E; Hoerr, David C; Salter, Rhys; Gong, Yong

2013-01-01

Syntheses of stable and radioactive isotope-labeled anticonvulsant agent, JNJ-26990990, that is, N-(benzo[b]thien-3-ylmethyl)-sulfamide and its metabolites are described. [(13)C(15)N]Benzo[b]thiophene-3-carbonitrile was first prepared by coupling of 3-bromo-benzo[b]thiophene with [(13)C(15)N]-copper cyanide. The resultant [(13)C(15)N]benzo[b]thiophene-3-carbonitrile was reduced with lithium aluminum deuteride to give [(13)CD2(15)N]benzo[b]thiophen-3-yl-methylamine; which was then coupled with sulfamide to afford [(13)CD2(15)N]-N-(benzo[b]thien-3-ylmethyl)-sulfamide, the stable isotope-labeled compound with four stable isotope atoms. Direct oxidation of [(13)CD2(15)N]-N-(benzo[b]thien-3-ylmethyl)-sulfamide with hydrogen peroxide and peracetic acid gave the stable isotope-labeled sulfoxide and sulfone metabolites. On the other hand, radioactive (14)C-labeled N-(benzo[b]thien-3-ylmethyl)-sulfamide was prepared conveniently by sequential coupling of 3-bromo-benzo[b]thiophene with [(14)C]-copper cyanide, reduction of the carbonitrile to carboxaldehyde, and reductive amination with sulfamide. Copyright © 2013 John Wiley & Sons, Ltd.

Crystal structure solution of hydrides containing natEu from neutron powder diffraction data

International Nuclear Information System (INIS)

Kohlmann, H.

1999-01-01

Complete text of publication follows. The location of hydrogen in crystal structures of metal hydrides usually requires neutron diffraction data. Some elements, however, show excessively high absorption cross sections, σ a , for neutrons, thus making this technique seemingly impractical. Therefore no complete, refined crystal structure data of europium hydrides (σ a ( nat Eu) = .4530 barns at λ = 179.8 pm [1]) have been reported so far. It is shown that the absorption can be reduced to a value reasonable for neutron diffraction experiments by taking advantage of the wavelength dependence of σ a combined with the use of annular samples at advanced diffractometers. Neutron powder diffraction data on several nat Eu containing deuterides suitable for the ab initio crystal structure solution and refinement have been taken at D20 and D4 (ILL, Grenoble). The crystal chemistry of these europium hydrides, among them the two new compounds EuMg 2 H 6 and EuMgH 4 [2], is discussed. (author) [1] V.F. Sears, Neutron News 1992, 3, 26-37.; [2] H. Kohlmann, F. Gingl, T. Hansen, K. Yvon, Angew. Chem. Int. Ed. Eng. 1999, 38, accepted

Neutron emission from impacted solid LiD samples

International Nuclear Information System (INIS)

Kaushik, T.C.; Shyam, A.; Kulkarni, L.V.; Srinivasan, M.

1993-01-01

Nylon projectiles with 0.1 g to 0.3 g mass, accelerated to velocities of 0.2-1 km/s using a 60 cm long electromagnetic accelerator (railgun), have been impacted upon solid lithium deuteride (LiD) samples of 3 proportional counters. The output from the BF 3 set-up is monitored in several ways to characterize the possible neutron emission from the target. This includes a simple technique of counting the single channel analyser (SCA) output through a dead-time unit to identify bursts of < 100 μs duration. Counting is started after a delay of ∼ 1 ms to avoid the initial interference from the capacitor bank discharge. The signal is also recorded in a storage oscilloscope from the start of projectile acceleration along with a time marker just before the impact. From a number of shots taken with and without the samples, a significant evidence of neutron emission from the LiD samples appears to emerge. The experiments suggest that approximately 100 neutrons might be generated during every such impact in a duration of < 4 ms. (author). 7 refs., 3 figs

The MIT HEDP Accelerator Facility for education and advanced diagnostics development for OMEGA, Z and the NIF

Science.gov (United States)

Petrasso, R.; Gatu Johnson, M.; Armstrong, E.; Han, H. W.; Kabadi, N.; Lahmann, B.; Orozco, D.; Rojas Herrera, J.; Sio, H.; Sutcliffe, G.; Frenje, J.; Li, C. K.; Séguin, F. H.; Leeper, R.; Ruiz, C. L.; Sangster, T. C.

2015-11-01

The MIT HEDP Accelerator Facility utilizes a 135-keV linear electrostatic ion accelerator, a D-T neutron source and two x-ray sources for development and characterization of nuclear diagnostics for OMEGA, Z, and the NIF. The ion accelerator generates D-D and D-3He fusion products through acceleration of D ions onto a 3He-doped Erbium-Deuteride target. Fusion reaction rates around 106 s-1 are routinely achieved, and fluence and energy of the fusion products have been accurately characterized. The D-T neutron source generates up to 6 × 108 neutrons/s. The two x-ray generators produce spectra with peak energies of 35 keV and 225 keV and maximum dose rates of 0.5 Gy/min and 12 Gy/min, respectively. Diagnostics developed and calibrated at this facility include CR-39 based charged-particle spectrometers, neutron detectors, and the particle Time-Of-Flight (pTOF) and Magnetic PTOF CVD-diamond-based bang time detectors. The accelerator is also a vital tool in the education of graduate and undergraduate students at MIT. This work was supported in part by SNL, DOE, LLE and LLNL.

Method to Reduce Long-lived Fission Products by Nuclear Transmutations with Fast Spectrum Reactors.

Science.gov (United States)

Chiba, Satoshi; Wakabayashi, Toshio; Tachi, Yoshiaki; Takaki, Naoyuki; Terashima, Atsunori; Okumura, Shin; Yoshida, Tadashi

2017-10-24

Transmutation of long-lived fission products (LLFPs: 79 Se, 93 Zr, 99 Tc, 107 Pd, 129 I, and 135 Cs) into short-lived or non-radioactive nuclides by fast neutron spectrum reactors without isotope separation has been proposed as a solution to the problem of radioactive wastes disposal. Despite investigation of many methods, such transmutation remains technologically difficult. To establish an effective and efficient transmutation system, we propose a novel neutron moderator material, yttrium deuteride (YD 2 ), to soften the neutron spectrum leaking from the reactor core. Neutron energy spectra and effective half-lives of LLFPs, transmutation rates, and support ratios were evaluated with the continuous-energy Monte Carlo code MVP-II/MVP-BURN and the JENDL-4.0 cross section library. With the YD 2 moderator in the radial blanket and shield regions, effective half-lives drastically decreased from 106 to 102 years and the support ratios reached 1.0 for all six LLFPs. This successful development and implementation of a transmutation system for LLFPs without isotope separation contributes to a the ability of fast spectrum reactors to reduce radioactive waste by consuming their own LLFPs.

Mechanism and deuterium pickup in Zr-2.5Nb alloy

International Nuclear Information System (INIS)

Ploc, R.A.

1999-12-01

There are approximately 400 Zr-2.5Nb pressure tubes in a CANDU reactor. During operation, the pressure tubes contain heavy water at about 300 deg C, 10.3 NPa with a room-temperature pD of 10.5. Operation of the pressure tube in the environment leads to oxide formation and absorption of deuterium. Excess deuterium absorption leads to precipitation of zirconium deuterides in the metal. A knowledge of how the deuterium passes through the oxide film to enter into the metal is an important step in gaining control over ingress rates. Fresnel fringe imaging of cross-sectioned oxides grown on pressure tubes, combined with tilting in the electron microscope, has revealed the three-dimensional nature of porosity in the oxide films. Two primary types exist, flake and ribbon. The main route for deuterium ingress is via ribbon porosity, as shown by electrochemical impedance spectroscopy. The location of the ribbon porosity is along the boundary between the oxidized α-Zr and β-Zr phases. Modifications to reduce ribbon porosity are possible and this, in turn, leads to significantly lower rates of deuterium absorption and extension of pressure-tube lifetime. (author)

Rock-salt structure lithium deuteride formation in liquid lithium with high-concentrations of deuterium: a first-principles molecular dynamics study

Science.gov (United States)

Chen, Mohan; Abrams, T.; Jaworski, M. A.; Carter, Emily A.

2016-01-01

Because of lithium’s possible use as a first wall material in a fusion reactor, a fundamental understanding of the interactions between liquid lithium (Li) and deuterium (D) is important. We predict structural and dynamical properties of liquid Li samples with high concentrations of D, as derived from first-principles molecular dynamics simulations. Liquid Li samples with four concentrations of inserted D atoms (LiDβ , β =0.25 , 0.50, 0.75, and 1.00) are studied at temperatures ranging from 470 to 1143 K. Densities, diffusivities, pair distribution functions, bond angle distribution functions, geometries, and charge transfer between Li and D atoms are calculated and analyzed. The analysis suggests liquid-solid phase transitions can occur at some concentrations and temperatures, forming rock-salt LiD within liquid Li. We also observe formation of some D2 molecules at high D concentrations.

Laser photoelectron spectroscopy of MnH - 2, FeH - 2, CoH - 2, and NiH - 2: Determination of the electron affinities for the metal dihydrides

Science.gov (United States)

Miller, Amy E. S.; Feigerle, C. S.; Lineberger, W. C.

1986-04-01

The laser photoelectron spectra of MnH-2, FeH-2, CoH-2, and NiH-2 and the analogous deuterides are reported. Lack of vibrational structure in the spectra suggests that all of the dihydrides and their negative ions have linear geometries, and that the transitions observed in the spectra are due to the loss of nonbonding d electrons. The electron affinities for the metal dihydrides are determined to be 0.444±0.016 eV for MnH2, 1.049±0.014 eV for FeH2, 1.450±0.014 eV for CoH2, and 1.934±0.008 eV for NiH2. Electronic excitation energies are provided for excited states of FeH2, CoH2, and NiH2. Electron affinities and electronic excitation energies for the dideuterides are also reported. A limit on the electron affinity of CrH2 of ≥2.5 eV is determined. The electron affinities of the dihydrides directly correlate with the electron affinities of the high-spin states of the monohydrides, and with the electron affinities of the metal atoms. These results are in agreement with a qualitative model developed for bonding in the monohydrides.

Tritium storage metal-bed pyrophoricity measurements

International Nuclear Information System (INIS)

Longhurst, G.R.; Neilson, R.M. Jr.; Porter, L.J.

1987-01-01

A safety concern for metal-bed tritium storage systems is the possibility of spontaneous combustion and/or explosion if the bed is accidentally exposed to air. This may result in the dispersion of tritium or tritiated compounds. Of several materials being considered for use in tritium storage beds, uranium (U), zirconium-cobalt (ZrCo), and lanthanum-nickel aluminide (LaNi 5-x Al x ) are of particular interest. It is well known that uranium that has been activated by cycles of hydriding and dehydriding is extremely pyrophoric when exposed to air or other oxidizers. Uranium hydride has also been found to be mildly pyrophoric, but less is known about the pyrophoric natures of the hydrides of the other materials. An experiment is in progress to evaluate the pyrophoric response of these materials and their hydrides and deuterides in air. Small (<100 mg) samples of depleted uranium were hydrided and then exposed to atmospheres of air, oxygen, or nitrogen using a thermogravimetric analyzer to monitor the sample weight and temperature. There was not an immediate pyrophoric response at room temperature, but ignition occured at moderately elevated temperatures for air and oxygen atmospheres. The experimental apparatus has been upgraded, and tests are continuing on these materials

A 1Σ+ → X 1Σ+ bands of the isotopic lithium hydrides

International Nuclear Information System (INIS)

Li, K.C.; Stwalley, W.C.

1977-01-01

In order to obtain a better understanding of the X 1 Σ + ground state and the A 1 Σ + state potential energy curves of lithium hydride and to examine in detail the concept of ''mass-reduced quantum numbers'' for both an ordinary (X 1 Σ + ) and an anomalous (A 1 Σ + ) electronic state, the emission spectra of the A 1 Σ + → X 1 Σ + bands of the isotopic lithium hydrides and deuterides ere photographed in the 3000 to 5000A region with a 3.4 meter Ebert Spectrograph. The bands found involved v'' = 0 to 7 to various v' = 0 to 17 for 6 LiH, and v'' = 0 to 7 to various v' = 1 to 16 for 6 LiD. Additional bands involving v'' = 4 and 5 were also found for 7 LiH. The vibrational-rotational spectroscopic analysis of 7 LiH, 6 LiH and 6 LiD are reported here, as are the reanalyses of the 7 LiH and 7 LiD data reported by Crawford and Jorgensen. New Rydberg-Klein-Rees (RKR) A 1 Σ + and X 1 Σ + potential curves have been constructed for each individual molecule and are reported, but detailed isotopic comparisons will be reported in subsequent publications

Quantitative determination of sulfur containing wine odorants at sub-ppb levels. 1. Synthesis of the deuterated analogues.

Science.gov (United States)

Kotseridis, Y; Ray, J L; Augier, C; Baumes, R

2000-12-01

[2H10]-4-Sulfanyl-4-methylpentan-2-one (d10-SMP), [2H2]-3-sulfanylhexan-1-ol (d2-3SH), and [2H5]-3-sulfanylhexyl acetate (d5-3SHAc), the labeled analogues of impact odorants of wines and other foods, were synthesized to be used for the quantitative determination of the natural compounds in white and red wines by stable isotope dilution assay. The sulfidation was achieved by Michael addition, on mesityl oxide or ethyl hex-2-enoate, respectively, of the sulfhydryl anion generated in situ from triphenylsilanethiol and potassium fluoride under phase transfer conditions. The labeling of 4-sulfanyl-4-methylpentan-2-one (SMP) was obtained from the commercial starting material, [2H6]acetone, so that this method could be used to synthesize 13C-labeled SMP from 13C-labeled acetone. The labeling of 3-sulfanylhexan-1-ol (3SH) and 3-sulfanylhexyl acetate (3SHAc) was obtained from reduction with lithium aluminum deuteride of the Michael adduct ethyl 3-sulfanylhexanoate and [2H3]-acetylation. During the synthesis, 3SH and 3SHAc were partially oxidized to their disulfide, which were reduced back to the thiols by an additional reduction step; the tertiary thiol SMP was less sensitive to this oxidation.

Combining Kohn-Sham and orbital-free density-functional theory for Hugoniot calculations to extreme pressures.

Science.gov (United States)

Sheppard, Daniel; Kress, Joel D; Crockett, Scott; Collins, Lee A; Desjarlais, Michael P

2014-12-01

The shock Hugoniot for lithium 6 deuteride ((6)LiD) was calculated via first principles using Kohn-Sham density-functional theory molecular dynamics (KSMD) for temperatures of 0.5-25 eV. The upper limit of 25 eV represents a practical limit where KSMD is no longer computationally feasible due to the number of electronic bands which are required to be populated. To push the Hugoniot calculations to higher temperatures we make use of orbital-free density-functional theory molecular dynamics (OFMD). Thomas-Fermi-Dirac-based OFMD gives a poor description of the electronic structure at low temperatures so the initial state is not well defined. We propose a method of bootstrapping the Hugoniot from OFMD to the Hugoniot from KSMD between 10 and 20 eV, where the two methods are in agreement. The combination of KSMD and OFMD allows construction of a first-principles Hugoniot from the initial state to 1000 eV. Theoretical shock-compression results are in good agreement with available experimental data and exhibit the appropriate high-temperature limits. We show that a unified KSMD-OFMD Hugoniot can be used to assess the quality of the existing equation-of-state (EOS) models and inform better EOS models based on justifiable physics.

Metabolites of cannabidiol identified in human urine.

Science.gov (United States)

Harvey, D J; Mechoulam, R

1990-03-01

1. Urine from a dystonic patient treated with cannabidiol (CBD) was examined by g.l.c.-mass spectrometry for CBD metabolites. Metabolites were identified as their trimethylsilyl (TMS), [2H9]TMS, and methyl ester/TMS derivatives and as the TMS derivatives of the product of lithium aluminium deuteride reduction. 2. Thirty-three metabolites were identified in addition to unmetabolized CBD, and a further four metabolites were partially characterized. 3. The major metabolic route was hydroxylation and oxidation at C-7 followed by further hydroxylation in the pentyl and propenyl groups to give 1"-, 2"-, 3"-, 4"- and 10-hydroxy derivatives of CBD-7-oic acid. Other metabolites, mainly acids, were formed by beta-oxidation and related biotransformations from the pentyl side-chain and these were also hydroxylated at C-6 or C-7. The major oxidized metabolite was CBD-7-oic acid containing a hydroxyethyl side-chain. 4. Two 8,9-dihydroxy compounds, presumably derived from the corresponding epoxide were identified. 5. Also present were several cyclized cannabinoids including delta-6- and delta-1-tetrahydrocannabinol and cannabinol. 6. This is the first metabolic study of CBD in humans; most observed metabolic routes were typical of those found for CBD and related cannabinoids in other species.

Synthesis of [19- 2H3]-analogs of dehydroepiandrosterone and pregnenolone and their sulfates.

Science.gov (United States)

Cerný, Ivan; Pouzar, Vladimír; Budesínský, Milos; Bicíková, Marie; Hill, Martin; Hampl, Richard

2004-03-01

Deuterated analogs of pregnenolone and pregnenolone sulfate with three atoms of deuterium in position 19 were prepared. The synthetic approach was developed on derivatives of dehydroepiandrosterone, where initial intermediates were well characterized, and then applied to the pregnenolone series. Starting 19-hydroxy compounds were transformed into 3alpha,5-cycloderivatives to simplify the Jones oxidation into the corresponding 19-oic acids. After oxidation, rearrangement to 3-hydroxy-5-enes, and suitable protection, two deuterium atoms were introduced by lithium aluminum deuteride reduction. Mesylate exchange by iodide in the presence of zinc and deuterium oxide added third deuterium atom. Deprotection gave title analogs with about 93-95% content of d3-derivative, the rest was mainly not fully deuterated d2-analogue as followed from the mass spectra analysis. Thus, 3beta-hydroxy[19-2H3]androst-5-en-17-one was prepared in 14 steps from 19-hydroxy-17-oxoandrost-5-en-3beta-yl acetate in 8.9% yield, the analogous sequence in the pregnenolone series gave 3beta-hydroxy[19-2H3]pregn-5-en-20-one in 7.3% yield. Corresponding sulfates were prepared via pyridinium salts in 53 and 57% yields, respectively. Fully assigned NMR data of selected pregnenolone derivatives were given.

Synthesis of specifically deuterium-labelled pregnanolone and pregnanediol sulphates for metabolic studies in humans.

Science.gov (United States)

Baillie, T A; Sjövall, J; Herz, J E

1975-10-01

A synthesis is reported of 3beta-hydroxy-5alpha-pregnan-20-one sulphate and the disulphate and 3-monosulphate of 5alpha-pregnane-3beta,20alpha-diol, labelled specifically with deuterium in high isotopic purity for metabolic studies in humans. Base-catalyzed equilibration of 3beta-hydroxy-5alpha-25R-spirostan-12-one (hemcogenin, II) with deuterium oxide, followed by removal of the 12-keto group and degradation of the sapogenin side-chain afforded 3beta-hydroxy-5alpha-[11,11-2H2]pregn-16-en-20-one (VII). Further deuterium atoms were introduced at the 3alpha and 20beta positions by reductions with sodium borodeuteride and lithium aluminum deuteride, respectively. These reactions led to 3beta-hydroxy-5alpha-[3alpha,11,11-2H3]pregnan-20-one (X; isotopic purity 87.2%) and 5alpha-[3alpha,11,11,20beta-2H4]pregnane-3beta,20alpha-diol (XIV; isotopic purity 83.9%). The 3-sulphate of the pregnanolone and the 3,20-disulphate of the pregnanediol were prepared directly form the free alcohols, while the 3-monosulphate of the pregnanediol was obtained via 5alpha-[3alpha,11,11,20beta-2H4]pregnane-3beta,20alpha-diol 20-acetate (XVII).

Plasma interaction with liquid lithium: Measurements of retention and erosion

Energy Technology Data Exchange (ETDEWEB)

Baldwin, M.J. E-mail: mbaldwin@ferp.ucsd.edu; Doerner, R.P.; Luckhardt, S.C.; Seraydarian, R.; Whyte, D.G.; Conn, R.W

2002-11-01

This paper reports on recent studies of high flux deuterium and helium plasma interaction with liquid lithium in the Pisces-B edge plasma simulator facility. Deuterium retention is explored as a function of plasma ion fluence in the range 6x10{sup 19}-4x10{sup 22} atoms cm{sup -2} and exposure temperatures of 523-673 K. The results are consistent with full uptake of the deuterium ions incident on the liquid metal surface, independent of the temperature of the liquid lithium. Full uptake continues until the sample is volumetrically converted to lithium deuteride. Helium retention is not observed for fluences up to 5x10{sup 21} He atoms cm{sup -2}. Measurements of the erosion of lithium are found to be consistent with physical sputtering for the lithium solid phase. However, a mechanism that provides an increased evaporative-like yield and is related to ion impact events on the surface, dominates during the liquid phase leading to an enhanced loss rate for liquid lithium that is greater than the expected loss rate due to evaporation at elevated temperatures. Further, the material loss rate is found to depend linearly on the incident ion flux, even at very high temperature.

The MIT HEDP Accelerator Facility for Diagnostic Development for OMEGA, Z, and the NIF

Science.gov (United States)

Sio, H.; Gatu Johnson, M.; Birkel, A.; Doeg, E.; Frankel, R.; Kabadi, N. V.; Lahmann, B.; Manzin, M.; Simpson, R. A.; Parker, C. E.; Sutcliffe, G. D.; Wink, C.; Frenje, J. A.; Li, C. K.; Seguin, F. H.; Petrasso, R. D.; Leeper, R.; Hahn, K.; Ruiz, C. L.; Sangster, T. C.; Hilsabeck, T.

2017-10-01

The MIT HEDP Accelerator Facility utilizes a 135-keV, linear electrostatic ion accelerator; DT and DD neutron sources; and two x-ray sources for development and characterization of nuclear diagnostics for OMEGA, Z, and the NIF. The accelerator generates DD and D3He fusion products through the acceleration of D+ ions onto a 3He-doped Erbium-Deuteride target. Accurately characterized fusion product rates of around 106 s- 1 are routinely achieved. The DT and DD neutron sources generate up to 6×108 and 1×107 neutrons/s, respectively. One x-ray generator is a thick-target W source with a peak energy of 225 keV and a maximum dose rate of 12 Gy/min; the other uses Cu, Mo, or Ti elemental tubes to generate x-rays with a maximum energy of 40 keV. Diagnostics developed and calibrated at this facility include CR-39-based charged-particle spectrometers, neutron detectors, and the particle Time-Of-Flight (pTOF) and Magnetic PTOF CVD-diamond-based bang time detectors. The accelerator is also a valuable hands-on tool for graduate and undergraduate education at MIT. This work was supported in part by the U.S. DoE, SNL, LLE and LLNL.

Role of Electronic Structure In Ion Band State Theory of Low Energy Nuclear Reactions

Science.gov (United States)

Chubb, Scott

2004-03-01

The Nuts and Bolts of our Ion Band State (IBS) theory of low energy nuclear reactions (LENR's) in palladium-deuteride (PdD) and palladium-hydride (PdH) are the electrons that hold together or tear apart the bonds (or lack of bonds) between deuterons (d's) or protons (p's) and the host material. In PdDx and PdH_x, this bonding is strongly correlated with loading: in ambient loading conditions (x< 0. 6), the bonding in hibits IBS occupation. As x arrow 1, slight increases and decreases in loading can lead to vibrations (which have conventionally been thought to occur from phonons) that can induce potential losses or increases of p/d. Naive assumptions about phonons fail to include these losses and increases. These effects can occur because neither H or D has core electrons and because in either PdD or PdH, the electrons near the Fermi Energy have negligible overlap with the nucleus of either D or H. I use these ideas to develop a formal justification, based on a generalization of conventional band theory (Scott Chubb, "Semi-Classical Conduction of Charged and Neutral Particles in Finite Lattices," 2004 March Meeting."), for the idea that occupation of IBS's can occur and that this can lead to nuclear reactions.

{sup 77} Se NMR of deuteride vinyl and acetylene selenides; RMn de {sup 77} Se de selenetos vinilicos e acetilenicos deuterados

Energy Technology Data Exchange (ETDEWEB)

Roque, L C; Stefani, H A; Arruda Campos, I.P. de; Comasseto, J V [Sao Paulo Univ., SP (Brazil). Inst. de Quimica

1992-12-31

The main objective of this work is a contribution for establishing a data base sufficient for interpretation of the selenium organic compound spectra. Due to the short literature on acetylene and vinyl selenides, the investigation of these compounds using {sup 77} Se NMR has been considered interesting. Particularly, compounds containing the selenium phenyl group have been selected, as they are larger used in organic chemistry. Non usual deuterated compounds have been applied, viewing simplification of the experimental results interpretation, since the use of deuterium virtually eliminates the Se-H coupling constants, due to the protons of the selenium phenyl group 5 refs., 2 tabs.

High field induced magnetic transitions in the Y0.7E r0.3F e2D4.2 deuteride

Science.gov (United States)

Paul-Boncour, V.; Guillot, M.; Isnard, O.; Hoser, A.

2017-09-01

The influence of the partial Er for Y substitution on the crystal structure and magnetic properties of YF e2D4.2 has been investigated by high field magnetization and neutron diffraction experiments. Y0.7E r0.3F e2D4.2 compound crystallizes in the same monoclinic structure as YF e2D4.2 described in P c (P1c1) space group with D atoms located in 18 different tetrahedral interstitial sites. A cell volume contraction of 0.6% is observed upon Er substitution, inducing large modification of the magnetic properties. Electronic effect of D insertion as well as lowering of crystal symmetry are important factors determining the magnetic properties of Fe sublattice, which evolves towards more delocalized behavior and modifying the Er-Fe exchange interactions. In the ground state, the Er and Fe moments are arranged ferrimagnetically within the plane perpendicular to the monoclinic b axis and with average moments mEr=6.4 (3 ) μBEr-1 and mFe=2.0 (1 ) μBFe-1 at 10 K. Upon heating, mEr decreases progressively until TEr=55 K . Between 55 K and 75 K, the Fe sublattice undergoes a first-order ferromagnetic-antiferromagnetic (FM-AFM) transition with a cell volume contraction due to the itinerant metamagnetic behavior of one Fe site. In the AFM structure, mFe decreases until the Néel temperature TN=125 K . At high field, two different types of field induced transitions are observed. The Er moments become parallel to the Fe one and saturates to the E r3 + free ion value, leading to an unusual field induced FM arrangement at a transition field BTrans of only 78 kG below 30 K. Then above TM0=66 K , an AFM-FM transition of the Fe sublattice, accompanied by a cell volume increase is observed. BTrans increases linearly versus temperature and with a larger d BTrans/d T slope than for YF e2D4.2 . This has been explained by the additional contribution of Er induced moments above BTrans.

Synthesis of specifically deuterated pregnanolone and pregnanediol sulphates for metabolic studies in pregant women

International Nuclear Information System (INIS)

Baillie, T.A.; Herz, J.E.; Anderson, R.A.; Sjovall, J.

1975-01-01

A series of specifically deuterated isomers of pregnanolone sulphate and pregnanediol mono- and disulphate have been synthesized for use in a study of the formation and metabolism of C 21 -steroid sulphates in the plasma of pregnant women. Hecogenin, the starting material for the synthesis, was equilibrated with NaO 2 H- 2 H 2 O and the resulting 11,11- 2 H 2 derivative converted directly to its tosylhydrazone. Reduction with sodium borohydride and degradation of the sapogenin side-chain gave 3β-hydroxy-5α-[11,11- 2 H 2 ] pregn-16-en-20-one (isotopic purity 91.6%). Further deuterium atoms were introduced in the 3α and 3α,20β positions by reductions with sodium borodeuteride and lithium aluminum deuteride, respectively. These reactions led to 3β-hydroxy-5α-[3α,11,11- 2 H 3 ] pregnan-20-one (isotopic purity 87.2%) and 5α-[3α,11,11,20β- 2 H 4 ] pregnane-3β,20α-diol (isotopic purity 83.9%). Steroids possessing the less readily accessible 3α-hydroxy-5α-[3β- 2 H] configuration were obtained, without loss of label, by epimerization of the 3β isomers. Pregnanolone sulphates and pregnanediol disulphates were prepared directly from the free alcohols, while the pregnanediol 3-monosulphates were synthesized from the appropriate pregnanediol 20-monoacetate derivatives

New Promising Hydride Based on the Cu-Li-Mg System

Energy Technology Data Exchange (ETDEWEB)

Braga, M H; Acatrinei, A; Hartl, M; Vogel, S; Proffen, Th; Daemen, L, E-mail: mbraga@lanl.gov

2010-11-01

We investigated the ternary Cu-Li-Mg system, in particular the CuLi{sub x}Mg{sub 2-x} (x = 0.08) for hydrogen storage. Instead of crystallizing in an orthorhombic phase, as CuMg2, this phase presents a hexagonal structure very similar to that of NiMg{sub 2} and NiMg{sub 2}H{sub 0.3}. In this work we will discuss the structure of CuLi{sub x}Mg{sub 2-x} by the analysis of the neutron scattering data and first principles calculations. The first results for a hydride (deuteride) phase will also mentioned since preliminary studies at LANSCE showed that CuLi{sub x}Mg{sub 2-x} might absorb approximately 5.3 to 6 wt% of H at an equilibrium pressure of approximately 27 bar at 200 deg. C. If these results are confirmed in future work, this will mean that, not only CuLi{sub x}Mg{sub 2-x} absorbs a considerable amount of hydrogen (close to DOE's expectations for hydrogen storage materials), but also will probably release it at a temperature in the range of 50 to 150 deg. C, where applications are easier to develop. Hence it should be possible to use this alloy with fuel cells or in batteries. Another important observation is that cycling has a strong effect on the structure of the hydride.

Synthesis of deuterium-labeled analogs of the lipid hydroperoxide-derived bifunctional electrophile 4-oxo-2(E)-nonenal.

Science.gov (United States)

Arora, Jasbir S; Oe, Tomoyuki; Blair, Ian A

2011-05-15

Lipid hydroperoxides undergo homolytic decomposition into the bifunctional 4-hydroxy-2( E )-nonenal and 4-oxo-2( E )-nonenal (ONE). These bifunctional electrophiles are highly reactive and can readily modify intracellular molecules including glutathione (GSH), deoxyribonucleic acid (DNA) and proteins. Lipid hydroperoxide-derived bifunctional electrophiles are thought to contribute to the pathogenesis of a number of diseases. ONE is an α , β -unsaturated aldehyde that can react in multiple ways and with glutathione, proteins and DNA. Heavy isotope-labeled analogs of ONE are not readily available for conducting mechanistic studies or for use as internal standards in mass spectrometry (MS)-based assays. An efficient onestep cost-effective method has been developed for the preparation of C-9 deuterium-labeled ONE. In addition, a method for specific deuterium labeling of ONE at C-2, C-3 or both C-2 and C-3 has been developed. This latter method involved the selective reduction of an intermediate alkyne either by lithium aluminum hydride or lithium aluminum deuteride and quenching with water or deuterium oxide. The availability of these heavy isotope analogs will be useful as internal standards for quantitative studies employing MS and for conducting mechanistic studies of complex interactions between ONE and DNA bases as well as between ONE and proximal amino acid residues in peptides and proteins.

Peptide analysis as amino alcohols by gas chromatography-mass spectrometry. Application to hyperoligopeptiduria. Detection of Gly-3Hyp-4Hyp and Gly-Pro-4Hyp-Gly.

Science.gov (United States)

Steiner, W; Niederwieser, A

1979-03-15

A method for the qualitative analysis of oligopeptides in human urine in cases of peptiduria is described. After sample precleaning on a strongly acidic ion exchanger, the trifluoroacetyl/methyl esters were formed and the peptide derivatives were transformed into trifluoroethyl oligoamino alcohols according to Nau and Biemann. It was found that oligoamino alcohols could be isolated selectively on a weakly acidic ion exchanger. The O-trimethylsilylated trifluoroethyl oligoamino alcohols were separated on a SE-30 glass capillary column and analyzed by computer-assisted gas chromatography-mass spectrometry. In order to increase specificity and to facilitate mass spectrometric interpretation, aliquots of the sample were reduced separately with lithium-aluminium deuteride and hydride. Each peptide gave a pair of derivatives with characteristic mass differences of the ions, namely 2 mass units per reduced oxo group (deuterium-hydrogen-labelling of oxo groups by reduction). Correct identification is assumed only if both mass spectral patterns fit the theory. Sample volumes of 5--100 ml of urine are needed. About six samples can be derivatized per week. Three cases with suspected peptiduria were investigated and the following peptides were found: Gly-Pro-4Hyp-Gly; Gly-Pro-4Hyp; Gly-Hyp-Hyp (postulated isomer Gly-3Hyp-4Hyp); Pro-4Hyp and Gly-Pro. With exception of the tetrapeptide, these compounds could be detected also in the urine of a healthy child.

Synthesis of (Z)-3,7-anhydro-1,2-dideoxy-2-deuterio-D-gluco-oct-2- enitol, a prochiral substrate for probing the catalytic functioning of of glucosylases.

Science.gov (United States)

Weiser, W; Lehmann, J; Brewer, C F; Hehre, E J

1988-12-01

Synthesis of the title compound provides a prochiral, glycosyl-donor substrate well suited for use as a probe of the catalytic functioning of D-glucosyl-mobilizing enzymes, because the full stereochemistry of enzymic reactions at its double bond may be unambiguously determined by examining the reaction products. The starting material for the synthesis was 2,6-anhydro-D-glycero-D-gulo-heptonic acid, from which 3,7-anhydro-4,5,6,8-tetra-O-benzyl-1-deoxy-D-glycero-D-gulo-2- octulose was prepared in eight steps. Reduction with lithium aluminum deuteride, and conversion of the resulting diastereomeric alcohols into (Z)-3,7-anhydro-4,5,6,8-tetra-O-benzyl-1,2-dideoxy-2-deuterio-D- gluco-oct-2-enitol (11) and 3,7-anhydro-4,5,6,8-tetra-O-benzyl-1,2-dideoxy-2-deuterio-D- glycero-D-gulo-oct-1-enitol (16), was carried out. By-products were 3,7-anhydro-2-O-benzoyl-4,5,6,8-tetra-O-benzyl-1,2-dideoxy-2-deuterio -D-erythro-L-galacto-octitol and 3,7-anhydro-2-O-benzoyl-4,5,6,8-tetra-O-benzyl-1,2-dideoxy-2-deuterio -D-erythro-L-talo-octitol, which could, like compound 16, be recycled. On debenzylation the oct-2-enitol 11 yielded (Z)-3,7-anhydro-1,2-dideoxy-2-deuterio-D-gluco-oct-2-enitol.

Suppressed gross erosion of high-temperature lithium via rapid deuterium implantation

Science.gov (United States)

Abrams, T.; Jaworski, M. A.; Chen, M.; Carter, E. A.; Kaita, R.; Stotler, D. P.; De Temmerman, G.; Morgan, T. W.; van den Berg, M. A.; van der Meiden, H. J.

2016-01-01

Lithium-coated high-Z substrates are planned for use in the NSTX-U divertor and are a candidate plasma facing component (PFC) for reactors, but it remains necessary to characterize the gross Li erosion rate under high plasma fluxes (>1023 m-2 s-1), typical for the divertor region. In this work, a realistic model for the compositional evolution of a Li/D layer is developed that incorporates first principles molecular dynamics (MD) simulations of D diffusion in liquid Li. Predictions of Li erosion from a mixed Li/D material are also developed that include formation of lithium deuteride (LiD). The erosion rate of Li from LiD is predicted to be significantly lower than from pure Li. This prediction is tested in the Magnum-PSI linear plasma device at ion fluxes of 1023-1024 m-2 s-1 and Li surface temperatures  ⩽800 °C. Li/LiD coatings ranging in thickness from 0.2 to 500 μm are studied. The dynamic D/Li concentrations are inferred via diffusion simulations. The pure Li erosion rate remains greater than Langmuir Law evaporation, as expected. For mixed-material Li/LiD surfaces, the erosion rates are reduced, in good agreement with modelling in almost all cases. These results imply that the temperature limit for a Li-coated PFC may be significantly higher than previously imagined.

Raman and Mid-IR Spectral Analysis of the Atacamite-Structure Hydroxyl/Deuteroxyl Nickel Chlorides Ni2(OH/D)3Cl

Institute of Scientific and Technical Information of China (English)

LIU Xiao-Dong; Hagihala Masato; ZHENG Xu-Guang; MENG Dong-Doug; GUO Qi-Xin

2011-01-01

@@ Vibrational spectra(Raman 4000-95cm-1 and mid-IR 4000-400cm-1) of the atacamite-structure Ni2(OH)3Cl,including a rarely reported kind of asymmetric trimetric hydrogen bond, as a member of the geometrically frustrated material series and its deuteride Ni2(OD)3Cl are, to the best of our knowledge, reported for the first time and analyzed at room temperature.Through a comparative study of four spectra according to their crystal structural parameters, we assign OH stretching modes v(OH) in a functional group region(3700-3400 cm-1) and their deformation modes δ(NiOH/D) in the correlation peak region(900-600 cm-1)with the corresponding mode frequency ratios ωv(OD)/ωv(OH)≈73% and ωδ(NiOD)/ωδ(NiOH)≈75%, and further self-consistently suggest NiO and Ni-Cl related modes in the fingerprint region(500-200cm-1 and 200-Ocm-1, respectively) by use of the unified six-ligand NiO5Cl and NiO4Cl2 frames.This report may contribute to the spectral analysis of other hydroxyl transition-metal halides and to the understanding of the fundamental physics of their exotic magnetic geometrical frustration property from the spectral changes around the corresponding low transition temperatures.

Stereo-specificity for pro-(R) hydrogen of NAD(P)H during enzyme-catalyzed hydride transfer to CL-20

International Nuclear Information System (INIS)

Bhushan, Bharat; Halasz, Annamaria; Hawari, Jalal

2005-01-01

A dehydrogenase from Clostridium sp. EDB2 and a diaphorase from Clostridium kluyveri were reacted with CL-20 to gain insights into the enzyme-catalyzed hydride transfer to CL-20, and the enzyme's stereo-specificity for either pro-R or pro-S hydrogens of NAD(P)H. Both enzymes biotransformed CL-20 at rates of 18.5 and 24 nmol/h/mg protein, using NADH and NADPH as hydride-source, respectively, to produce a N-denitrohydrogenated product with a molecular weight of 393 Da. In enzyme kinetics studies using reduced deuterated pyridine nucleotides, we found a kinetic deuterium isotopic effect of 2-fold on CL-20 biotransformation rate using dehydrogenase enzyme against (R)NADD as a hydride-source compared to either (S)NADD or NADH. Whereas, in case of diaphorase, the kinetic deuterium isotopic effect of about 1.5-fold was observed on CL-20 biotransformation rate using (R)NADPD as hydride-source. In a comparative study with LC-MS, using deuterated and non-deuterated NAD(P)H, we found a positive mass-shift of 1 Da in the N-denitrohydrogenated product suggesting the involvement of a deuteride (D - ) transfer from NAD(P)D. The present study thus revealed that both dehydrogenase and diaphorase enzymes from the two Clostridium species catalyzed a hydride transfer to CL-20 and showed stereo-specificity for pro-R hydrogen of NAD(P)H

Ageing of palladium tritide: mechanical characterization, helium state and modelling

International Nuclear Information System (INIS)

Segard, M.

2010-01-01

Palladium is commonly used for the storage of tritium (the hydrogen radioactive isotope), since it forms a low-equilibrium-pressure and reversible tritide. Tritium decay into helium-3 is responsible for the ageing of the tritide, leading to the apparition of helium-3 bubbles for instance. Both experimental and theoretical aspects of this phenomenon are studied here.Previous works on ageing modelling led to two main models, dealing with:- Helium-3 bubbles nucleation (using a cellular automaton), - Bubbles growth (using continuum mechanics).These models were quite efficient, but their use was limited by the lack of input data and fitting experimental parameters.To get through these limitations, this work has consisted in studying the most relevant experimental data to improve the modelling of the palladium tritide ageing.The first part of this work was focused on the assessment of the mechanical properties of the palladium tritide (yield strength, ultimate strength, mechanical behaviour). They were deduced from the in situ tensile tests performed on palladium hydride and deuteride. In the second part, ageing characterization was undertaken, mainly focusing on: - Bubbles observations in palladium tritide using transmission electron microscopy, - Internal bubble pressure measurements using nuclear magnetic resonance, - Macroscopic swelling measurements using pycno-metry.The present work has led to significant progress in ageing understanding and has brought very valuable improvements to the modelling of such a phenomenon. (author) [fr

Nuts and Bolts of the Ion Band State Theory

Science.gov (United States)

Chubb, Scott R.

2005-12-01

The nuts and bolts of our ion band state theory of low energy nuclear reactions (LENR's) in palladium-deuteride (PdD) and palladium-hydride (PdH) are the electrons that hold together or tear apart the bonds (or lack of bonds) between deuterons (d's) or protons (p's) and the host material. In PdDx and PdHx, this bonding is strongly correlated with loading. In ambient loading conditions (x ≲ 0.6), bonding inhibits ion band state occupation. As x → 1, slight increases and decreases in loading can induce "vibrations" (which have conventionally been thought to occur from phonons) that can induce potential losses or increases of p/d. Naive assumptions about phonons fail to include these losses and increases. These effects can occur because neither H or D has core electrons and because in either PdD or PdH, the electrons near the Fermi energy have negligible overlap with the nucleus of either D or H. In the past, implicitly, we have used these facts to justify our ion band state theory. Here, we present a more formal justification, based on the relationship between H(D) ion band states (IBS's) and H(D) phonons that includes a microscopic picture that explains why occupation of IBS's can occur in PdD and PdH and how this can lead to nuclear reactions.

Hydrogen Outgassing from Lithium Hydride

Energy Technology Data Exchange (ETDEWEB)

Dinh, L N; Schildbach, M A; Smith, R A; Balazs1, B; McLean II, W

2006-04-20

Lithium hydride is a nuclear material with a great affinity for moisture. As a result of exposure to water vapor during machining, transportation, storage and assembly, a corrosion layer (oxide and/or hydroxide) always forms on the surface of lithium hydride resulting in the release of hydrogen gas. Thermodynamically, lithium hydride, lithium oxide and lithium hydroxide are all stable. However, lithium hydroxides formed near the lithium hydride substrate (interface hydroxide) and near the sample/vacuum interface (surface hydroxide) are much less thermally stable than their bulk counterpart. In a dry environment, the interface/surface hydroxides slowly degenerate over many years/decades at room temperature into lithium oxide, releasing water vapor and ultimately hydrogen gas through reaction of the water vapor with the lithium hydride substrate. This outgassing can potentially cause metal hydriding and/or compatibility issues elsewhere in the device. In this chapter, the morphology and the chemistry of the corrosion layer grown on lithium hydride (and in some cases, its isotopic cousin, lithium deuteride) as a result of exposure to moisture are investigated. The hydrogen outgassing processes associated with the formation and subsequent degeneration of this corrosion layer are described. Experimental techniques to measure the hydrogen outgassing kinetics from lithium hydride and methods employing the measured kinetics to predict hydrogen outgassing as a function of time and temperature are presented. Finally, practical procedures to mitigate the problem of hydrogen outgassing from lithium hydride are discussed.

In vivo metabolism of (+)-trans-delta-9-tetrahydrocannabinol in the mouse.

Science.gov (United States)

Harvey, D J

1988-01-15

(+)-trans-Delta-9-tetrahydrocannabinol [(+)-delta-9-THC], a biologically inactive isomer of (-)-trans-delta-9-THC, the major psychoactive constituent of cannabis, was administered intraperitoneally to male Charles River CD-1 mice; hepatic metabolites were extracted with ethyl acetate and isolated by chromatography on Sephadex LH-20 in chloroform. The metabolites were converted into trimethylsilyl (TMS), 2H9-TMS and methyl ester/TMS derivatives for examination by gas chromatography/mass spectrometry and additional samples were prepared by reduction of metabolic fractions with lithium aluminium deuteride. Sixteen metabolites were characterized: these were alcohols and carboxylic acids, together with several of their hydroxylated analogues. The major biotransformation pathway was hydroxylation at C(11) to give the major metabolite, followed by oxidation of this compound to a carboxylic acid. Hydroxylated analogues of these two compounds were substituted mainly in the side-chain. Although metabolism was very similar to that of the naturally occurring (-)-isomer as far as positions of substitution were concerned, some differences were observed. These related mainly to the positions of hydroxylation on the side-chain, where 1'-hydroxylation was preferred to hydroxylation at the 2'-position. The major difference in metabolism between the two isomers was that much less oxidation of the 11-hydroxy group to a carboxylic acid occurred and there was less hydroxylation at the 8-position. Thus, 11-hydroxy-(+)-trans-delta-9-THC was the major metabolite and most other metabolites were hydroxylated derivatives of this compound.

An extremely bulky tris(pyrazolyl)methanide: a tridentate ligand for the synthesis of heteroleptic magnesium(II) and ytterbium(II) alkyl, hydride, and iodide complexes.

Science.gov (United States)

Lalrempuia, Ralte; Stasch, Andreas; Jones, Cameron

2015-02-01

The tris(pyrazolyl)methane compound HC(3-Ad-5-Mepz)3 [1, 3-Ad-5-Mepz=3-(1-adamantyl)-5-methylpyrazolyl] and its regioisomer, HC(3-Ad-5-Mepz)2 (3-Me-5-Adpz), were synthesized and crystallographically characterized. Deprotonation of 1 with MeLi afforded the lithium complex [{κ(3) -N-C(3-Ad-5-Mepz)3 }Li(thf)], which incorporates a tris(pyrazolyl)methanide ligand of unprecedented bulk. Reaction of 1 with MeMgI gave the ionic coordination complex [{κ(3) -N-HC(3-Ad-5-Mepz)3 }MgMe]I, which was readily deprotonated to afford the neutral compound [{κ(3) -N-C(3-Ad-5-Mepz)3 }MgMe]. The related magnesium butyl compound [{κ(3) -N-C(3-Ad-5-Mepz)3 }MgBu] was prepared from the reaction of 1 and MgBu2 . Treating this with LiAlH4 or LiAlD4 led to rare examples of terminal magnesium hydride/deuteride complexes, [{κ(3) -N-C(3-Ad-5-Mepz)3 }MgH/D]. All neutral magnesium alkyl and hydride compounds were crystallographically authenticated. Reaction of [{κ(3) κN-C(3-Ad-5-Mepz)3 }Li(thf)] with [YbI2 (thf)2 ] yielded the first structurally characterized f-block tris(pyrazolyl)methanide complex, [{κ(3) -N-C(3-Ad-5-Mepz)3 }YbI(thf)]. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fourier-transform spectroscopy of HD in the vacuum ultraviolet at λ = 87-112 nm

Science.gov (United States)

Ivanov, T. I.; Dickenson, G. D.; Roudjane, M.; de Oliveira, N.; Joyeux, D.; Nahon, L.; Tchang-Brillet, W.-Ü. L.; Ubachs, W.

2010-03-01

Absorption spectroscopy in the vacuum ultraviolet (VUV) domain was performed on the hydrogen-deuteride molecule with a novel Fourier-transform spectrometer based upon wavefront division interferometry. This unique instrument, which is a permanent endstation of the undulator-based beamline DESIRS on the synchrotron SOLEIL facility, opens the way to Fourier-transform spectroscopy in the VUV range. The HD spectral lines in the Lyman and Werner bands were recorded in the 87-112 nm range from a quasi-static gas sample in a windowless configuration and with a Doppler-limited resolution. Line positions of some 268 transitions in the ? Lyman bands and 141 transitions in the ? Werner bands were deduced with uncertainties of 0.04 cm-1 (1σ) which correspond to Δλ/λ ∼ 4 × 10-7. This extensive laboratory database is of relevance for comparison with astronomical observations of H2 and HD spectra from highly redshifted objects, with the goal of extracting a possible variation of the proton-to-electron mass ratio (μ = m p /m e ) on a cosmological time scale. For this reason also calculations of the so-called sensitivity coefficients K i were performed in order to allow for deducing constraints on Δμ/μ. The K i coefficients, associated with the line shift that each spectral line undergoes as a result of a varying value for μ, were derived from calculations as a function of μ solving the Schrödinger equation using ab initio potentials.

ANSTO. Annual Report 1993-1994

International Nuclear Information System (INIS)

1994-09-01

Scientific highlights during 1993-1994 financial year at the Australian Nuclear Science and Technology Organization (ANSTO) as outlined in the Annual Report include: a new Synroc facility was commissioned to provide microsphere feedstocks and confirmed the choice of the dry precursor route for the Synroc conceptual plant; joint research in plasma immersion ion implantation (PI3) with the Technical University of Clausthal, Germany; the design and manufacture of a prototype ceramic knee prosthesis; international collaboration established in the use of accelerator techniques to measure aerosol pollution; the discovery of new low temperature phases of palladium deuteride which crystal structures were determined using neutron scattering; elucidate the controversial age of the Venafro Chessmen using Accelerator Mass Spectrometry. Achievements in the biomedical fields included: the successful clinical evaluation of 123 I-iododexetimide in patients with Alzheimer's disease or frontal lobe epilepsy and the completed clinical trial of technetium-99m 3B6/22 antibody for the diagnosis of lung cancer. ANSTO has also completed two studies on the treatment of contaminated wastes arising from the flooding of uranium mines in Germany and advised the German Ministry of Economics on treatment options, developed new processes for the production of high purity cerium compounds from monazite concentrates and a computer software to assess the likelihood of a pollution release from the failure of industrial equipment and containment or clean-up systems. Details are also given of the Corporate and Information Services activities. The financial statements for the year under review is included. ills., tabs

Laser photoelectron spectroscopy of MnH - and FeH - : Electronic structures of the metal hydrides, identification of a low-spin excited state of MnH, and evidence for a low-spin ground state of FeH

Science.gov (United States)

Stevens, Amy E.; Feigerle, C. S.; Lineberger, W. C.

1983-05-01

The laser photoelectron spectra of MnH- and MnD-, and FeH- and FeD- are reported. A qualitative description of the electronic structure of the low-spin and high-spin states of the metal hydrides is developed, and used to interpret the spectra. A diagonal transition in the photodetachment to the known high-spin, 7Σ+, ground state of MnH is observed. An intense off-diagonal transition to a state of MnH, at 1725±50 cm-1 excitation energy, is attributed to loss of an antibonding electron from MnH-, to yield a low-spin quintet state of MnH. For FeH- the photodetachment to the ground state is an off-diagonal transition, attributed to loss of the antibonding electron from FeH-, to yield a low-spin quartet ground state of FeH. A diagonal transition results in an FeH state at 1945±55 cm-1; this state of FeH is assigned as the lowest-lying high-spin sextet state of FeH. An additional excited state of MnH and two other excited states of FeH are observed. Excitation energies for all the states are reported; vibrational frequencies and bond lengths for the ions and several states of the neutrals are also determined from the spectra. The electron affinity of MnH is found to be 0.869±0.010 eV; and the electron affinity of FeH is determined to be 0.934±0.011 eV. Spectroscopic constants for the various deuterides are also reported.

A method for investigation of the D(4He, γ)6Li reaction in the Ultralow energy region under a high background

Science.gov (United States)

Bystritsky, V. M.; Dudkin, G. N.; Krylov, A. R.; Gazi, S.; Huran, J.; Nechaev, B. A.; Padalko, V. N.; Sadovsky, A. B.; Tuleushev, Yu. Zh.; Filipowicz, M.; Philippov, A. V.

2016-07-01

The cosmological lithium problem, that is, a noticeable discrepancy between the predicted and observed abundances of lithium, is in conflict with the Standard Big Bang Nucleosynthesis model. For example, the abundance of 7Li is 2-4 times smaller than predicted by the Standard Big Bang Nucleosynthesis. As to the abundance of 6Li, recent more accurate optical investigations have yielded only the upper limit on the 6Li/7Li ratio, which makes the problem of 6Li abundance and accordingly of disagreement with the Standard Big Bang Nucleosynthesis predictions less acute. However, experimental study of the D(4He, γ)6Li reaction cross section is still of current importance because there is a theoretical approach predicting its anomalously large value in the region of energies below the Standard Big Bang Nucleosynthesis energy. The work is dedicated to the measurement of the cross section for the D(4He, γ)6Li reaction proceeding in zirconium deuteride at the incident 4He+ion energy of 36 keV. The experiment is performed at a pulsed Hall plasma accelerator with an energy spread of 20% FWHM. A method for direct measurement of the background from the reaction chain D(4He, 4He)D→D(D, n)3He→(n, γ) and/or (n, n‧γ) ending with activation of the surrounding material by neutrons is proposed and implemented in the work. An upper limit on the D(4He, γ)6Li reaction cross section σ≤7·10-36 cm2 at the 90% confidence level is obtained.

Photoneutron source based on a compact 10 MeV betatron

International Nuclear Information System (INIS)

Chakhlov, V.L.; Bell, Z.W.; Golovkov, V.M.; Shtein, M.M.

1999-01-01

Accelerator-based photoneutron sources have enjoyed wide use and offer the advantages of long term stability, ease of control and absence of radioactive materials. We report here measurements of the yield of photoneutrons from a neutron generator using a compact betatron. Electrons were accelerated to energies up to 10 MeV and produced a bremsstrahlung beam with a dose rate of 0.16 Gy/min (at 10 MeV, 1 m from the bremsstrahlung target) to irradiate LiD, Be, depleted U, and Pb neutron-producing targets. The angular distributions of photoneutrons produced by bremsstrahlung beams were measured with a 'long' counter and integrated to determine neutron yield. In addition, neutron time of flight spectra were recorded from all targets using a 15.5 m flight path perpendicular to the photon beam. The maximum observed yields were 4.6x10 7 n/s obtained with 1 kg of LiD, 5.7x10 7 n/s from a 3.3 kg Be block, 6.2x10 6 n/s from 1.5 kg of depleted U, and 7.0x10 6 n/s from 10.7 kg of Pb. Optimization of target dimensions, shape, and positioning is expected to increase the yield from the LiD target by a factor of 35, while optimization of the other targets is expected to yield at most a factor of 10. With the increased yield and a deuteride target, this compact betatron-based system could find application in the interrogation of waste containers for fissile material

Performance evaluation of reactor operated zircaloy-2 pressure tubes of RAPS-1

International Nuclear Information System (INIS)

Chatterjee, S.; Ramadasan, E.; Balakrishnan, K.S.; Bahl, J.K.

1992-01-01

Detailed post irradiation examination was carried out on pressure tube sections from E-10, F-9 and F-10 locations of RAPS-1 after an in-reactor residence equivalent to 3.6 effective full power years. The F-10 pressure tube was studied in detail on sections obtained from one end to the other, whereas in the case of E-9 and F-9 pressure tubes only the end sections were examined. The studies carried out were visual examination, metallography, hydrogen i.e. H(D) analysis and mechanical testing at 300 C. Microstructural observations revealed uniform and random hydride/deuteride platelet distribution and absence of blisters or hydride segregation. The H(D) content in the F-10 pressure tube was found to vary in the range 6-12 ppm. The typical H(D) content in the three tubes was around 1 ppm. The H(D) pick-up evaluated from the observed oxide layer thickness was 8 ppm. Longitudinal tensile specimens fabricated from the F-10 pressure tube section and tested at 300 C exhibited increase in yield strength and tensile strength of 39% and 30% respectively. The residual uniform elongation was typically 1.8%. The observed changes in the tensile properties were found to be lower than those reported on unstressed specimens irradiated to similar neutron fluences. The observed hydrogen content and tensile properties obtained in F-10 pressure tube would not be detrimental under normal reactor operating conditions. (author). 10 refs., 4 figs., 2 tabs., 1 annexure

ANSTO. Annual Report 1993-1994

Energy Technology Data Exchange (ETDEWEB)

NONE

1994-09-01

Scientific highlights during 1993-1994 financial year at the Australian Nuclear Science and Technology Organization (ANSTO) as outlined in the Annual Report include: a new Synroc facility was commissioned to provide microsphere feedstocks and confirmed the choice of the dry precursor route for the Synroc conceptual plant; joint research in plasma immersion ion implantation (PI3) with the Technical University of Clausthal, Germany; the design and manufacture of a prototype ceramic knee prosthesis; international collaboration established in the use of accelerator techniques to measure aerosol pollution; the discovery of new low temperature phases of palladium deuteride which crystal structures were determined using neutron scattering; elucidate the controversial age of the Venafro Chessmen using Accelerator Mass Spectrometry. Achievements in the biomedical fields included: the successful clinical evaluation of {sup 123}I-iododexetimide in patients with Alzheimer`s disease or frontal lobe epilepsy and the completed clinical trial of technetium-99m 3B6/22 antibody for the diagnosis of lung cancer. ANSTO has also completed two studies on the treatment of contaminated wastes arising from the flooding of uranium mines in Germany and advised the German Ministry of Economics on treatment options, developed new processes for the production of high purity cerium compounds from monazite concentrates and a computer software to assess the likelihood of a pollution release from the failure of industrial equipment and containment or clean-up systems. Details are also given of the Corporate and Information Services activities. The financial statements for the year under review is included. ills., tabs.

Investigation of Deuterium Loaded Materials Subject to X-Ray Exposure

Science.gov (United States)

Benyo, Theresa L.; Steinetz, Bruce M.; Hendricks, Robert C.; Martin, Richard E.; Forsley, Lawrence P.; Daniels, Christopher C.; Chait, Arnon; Pines, Vladimir; Pines, Marianna; Penney, Nicholas;

Metabolites of the 1',2'-dimethylheptyl analogue of delta-8-tetrahydrocannabinol in the mouse and their identification by gas chromatography/mass spectrometry.

Science.gov (United States)

Harvey, D J; Brown, N K

1990-10-01

Metabolism of the 1,2-dimethylheptyl analogue of delta-8-tetrahydrocannabinol (delta-8-DMHP) was studied in vitro using mouse hepatic microsomes and in vivo in mouse liver. Metabolites were extracted with ethyl acetate, concentrated by chromatography on Sephadex LH-20 and examined by low-resolution mass spectrometry as trimethylsilyl (TMS), (2H9)TMS and methyl ester/TMS derivatives. Reduction of metabolites with lithium aluminium deuteride also provided structural information. The electron-impact-induced mass spectrum of the TMS derivative of DMHP differed from that of its unbranched side-chain analogues in that prominent ions were produced by fragmentation of the side-chain at the expense of the retro-Diels-Alder fragmentation that was prominent in the spectra of the latter compounds. This, however, was found to reduce the relative abundance of ions diagnostic of side-chain hydroxy substitution in the spectra of the metabolites. In vitro, the only significant metabolite was 11-hydroxy-delta-8-DMHP. This is in contrast with metabolism of the corresponding delta-8-tetrahydrocannabinol (delta-8-THC, n-C5-side-chain) where a number of other monohydroxy metabolites are produced. Fifteen metabolites were found in vivo, of which nine were identified. Mass spectral information was not sufficient to determine the position of one of the hydroxy groups in the other six metabolites. The major site of hydroxylation was at C-11 and the resulting hydroxy metabolite was oxidized to delta-8-DMHP-11-oic acid. In this respect metabolism paralleled that of delta-8-THC. Dihydroxylation of the double bond also occurred, presumably via the epoxide.(ABSTRACT TRUNCATED AT 250 WORDS)

A method for investigation of the D("4He, γ)"6Li reaction in the Ultralow energy region under a high background

International Nuclear Information System (INIS)

Bystritsky, V.M.; Dudkin, G.N.; Krylov, A.R.; Gazi, S.; Huran, J.; Nechaev, B.A.; Padalko, V.N.; Sadovsky, A.B.; Tuleushev, Yu.Zh.; Filipowicz, M.; Philippov, A.V.

2016-01-01

The cosmological lithium problem, that is, a noticeable discrepancy between the predicted and observed abundances of lithium, is in conflict with the Standard Big Bang Nucleosynthesis model. For example, the abundance of "7Li is 2–4 times smaller than predicted by the Standard Big Bang Nucleosynthesis. As to the abundance of "6Li, recent more accurate optical investigations have yielded only the upper limit on the "6Li/"7Li ratio, which makes the problem of "6Li abundance and accordingly of disagreement with the Standard Big Bang Nucleosynthesis predictions less acute. However, experimental study of the D("4He, γ)"6Li reaction cross section is still of current importance because there is a theoretical approach predicting its anomalously large value in the region of energies below the Standard Big Bang Nucleosynthesis energy. The work is dedicated to the measurement of the cross section for the D("4He, γ)"6Li reaction proceeding in zirconium deuteride at the incident "4He"+ion energy of 36 keV. The experiment is performed at a pulsed Hall plasma accelerator with an energy spread of 20% FWHM. A method for direct measurement of the background from the reaction chain D("4He, "4He)D→D(D, n)"3He→(n, γ) and/or (n, n′γ) ending with activation of the surrounding material by neutrons is proposed and implemented in the work. An upper limit on the D("4He, γ)"6Li reaction cross section σ≤7·10"−"3"6 cm"2 at the 90% confidence level is obtained.

Hydrogen retention in lithium on metallic walls from “in vacuo” analysis in LTX and implications for high-Z plasma-facing components in NSTX-U

Energy Technology Data Exchange (ETDEWEB)

Kaita, R., E-mail: kaita@pppl.gov [Princeton Plasma Physics Laboratory, Princeton University, Princeton, NJ (United States); Lucia, M. [Princeton Plasma Physics Laboratory, Princeton University, Princeton, NJ (United States); Allain, J.P.; Bedoya, F. [Department of Nuclear, Plasma, & Radiological Engineering, University of Illinois at Urbana-Champaign, Urbana, IL (United States); Bell, R.; Boyle, D. [Princeton Plasma Physics Laboratory, Princeton University, Princeton, NJ (United States); Capece, A. [Department of Physics, The College of New Jersey, Ewing, NJ (United States); Jaworski, M. [Princeton Plasma Physics Laboratory, Princeton University, Princeton, NJ (United States); Koel, B.E. [Department of Chemical & Biological Engineering, Princeton University, Princeton, NJ (United States); Majeski, R. [Princeton Plasma Physics Laboratory, Princeton University, Princeton, NJ (United States); Roszell, J. [Department of Chemical & Biological Engineering, Princeton University, Princeton, NJ (United States); Schmitt, J. [Princeton Plasma Physics Laboratory, Princeton University, Princeton, NJ (United States); Scotti, F. [Lawrence Livermore National Laboratory, Livermore, CA (United States); Skinner, C.H. [Princeton Plasma Physics Laboratory, Princeton University, Princeton, NJ (United States); Soukhanovskii, V. [Lawrence Livermore National Laboratory, Livermore, CA (United States)

2017-04-15

The application of lithium to plasma-facing components (PFCs) has long been used as a technique for wall conditioning in magnetic confinement devices to improve plasma performance. Determining the characteristics of PFCs at the time of exposure to the plasma, however, is difficult because they can only be analyzed after venting the vacuum vessel and removing them at the end of an operational period. The Materials Analysis and Particle Probe (MAPP) addresses this problem by enabling PFC samples to be exposed to plasmas, and then withdrawn into an analysis chamber without breaking vacuum. The MAPP system was used to introduce samples that matched the metallic PFCs of the Lithium Tokamak Experiment (LTX). Lithium that was subsequently evaporated onto the walls also covered the MAPP samples, which were then subject to LTX discharges. In vacuo extraction and analysis of the samples indicated that lithium oxide formed on the PFCs, but improved plasma performance persisted in LTX. The reduced recycling this suggests is consistent with separate surface science experiments that demonstrated deuterium retention in the presence of lithium oxide films. Since oxygen decreases the thermal stability of the deuterium in the film, the release of deuterium was observed below the lithium deuteride dissociation temperature. This may explain what occurred when lithium was applied to the surface of the NSTX Liquid Lithium Divertor (LLD). The LLD had segments with individual heaters, and the deuterium-alpha emission was clearly lower in the cooler regions. The plan for NSTX-U is to replace the graphite tiles with high-Z PFCs, and apply lithium to their surfaces with lithium evaporation. Experiments with lithium coatings on such PFCs suggest that deuterium could still be retained if lithium compounds form, but limiting their surface temperatures may be necessary.

Analysis by the reductive-cleavage method of linkage positions in a polysaccharide containing 4-linked D-glucopyranosyluronic residues.

Science.gov (United States)

Vodonik, S A; Gray, G R

1988-04-01

The fate of 4-linked D-glucopyranosyluronic residues under reductive-cleavage conditions was investigated by using the Klebsiella aerogenes type 54 strain A3 capsular polysaccharide. Treatment of the fully methylated polysaccharide with triethylsilane and trimethylsilyl trifluoromethanesulfonate in dichloromethane, followed by in situ acetylation, yielded 1,5-anhydro-2,3,4,6-tetra-O-methyl-D-glucitol, 3,4-di-O-acetyl-1,5-anhydro-2,6-di-O-methyl-D-glucitol, and 3-O-acetyl-1,5-anhydro-2,4-di-O-methyl-L-fucitol, as expected, but the expected product of reductive cleavage of the 4-linked D-glucopyranosyluronic residue, namely, methyl 3-O-acetyl-2,6-anhydro-4,5-di-O-methyl-L-gulonate, was not observed. Instead, methyl 2-O-acetyl-3,6-anhydro-4,5-di-O-methyl-L-gulonate (6) was identified as the sole product of reductive cleavage of the 4-linked D-glucopyranosyluronic residue. That compound 6 arose as a result of rearrangement during reductive cleavage rather than by reductive cleavage of a 5-linked D-glucofuranosyluronic residue, was established by reductive cleavage of the fully methylated polysaccharide following reduction of its ester groups with either lithium aluminum hydride or lithium aluminum deuteride. The products of the latter reductive cleavage were the same as before, except for the absence of 6 and the presence of 4,6-di-O-acetyl-1,5-anhydro-2,3-di-O-methyl-D-glucitol, or its 6,6-dideuterio isomer. Although the reductive-cleavage technique is suitable for the direct analysis of polysaccharides containing 4-linked D-glucopyranosyluronic residues, it does not establish whether the uronic residue is a 4-linked pyranoside or a 5-linked furanoside. The expected product is, however, derived from the 4-linked D-glucopyranosyluronic residue after sequential methylation, reduction of its ester group and reductive cleavage.

In vivo metabolism of the methyl homologues of delta-8-tetrahydrocannabinol, delta-9-tetrahydrocannabinol and abn-delta-8-tetrahydrocannabinol in the mouse.

Science.gov (United States)

Brown, N K; Harvey, D J

1988-04-01

Methyl-delta-8-tetrahydrocannabinol (methyl-delta-8-THC), methyl-delta-9-THC and abn-methyl-delta-8-THC were synthesized by condensation of orcinol and (1S)-cis-verbenol and were administered to male Charles River CD-1 mice. Extracted hepatic metabolites were isolated by chromatography on Sephadex LH-20 and examined by gas chromatography/mass spectrometry as trimethylsilyl (TMS), (2H9)TMS and methyl ester/TMS derivatives. In addition, metabolic fractions were reduced with lithium aluminium deuteride to convert carboxylic acids to alcohols for structural correlation. Metabolites from methyl-delta-8-THC were similar with respect to the positions substituted to those produced by higher homologues; the major metabolite was methyl-delta-8-THC-11-oic acid. abn-Methyl-delta-8-THC was metabolized in a different manner. The location of the aromatic methyl group at the position adjacent to ring fusion appeared to inhibit metabolism at C(11) to a considerable extent and also to reduce the amount of the resulting alcohol from being oxidized to a carboxylic acid. This caused other metabolic pathways to become dominant, with the result that a compound containing a hydroxy group at the gem-methyl position was the major metabolite. Hydroxylation at this position has not been confirmed with any other cannabinoid, although it is thought to result in trace concentrations of hydroxy metabolites from some compounds. Metabolism of methyl-delta-9-THC was also similar to that of the higher homologues, with the exception that less metabolism occurred at C(8) and a higher percentage of the total metabolic fraction was accounted for by the 11-oic acid metabolite. Minor metabolites were mainly dihydroxy compounds and hydroxylated derivatives of delta-9-THC-11-oic acid.

Distillation of hydrogen isotopes for polarized HD targets

Energy Technology Data Exchange (ETDEWEB)

Ohta, T., E-mail: takeshi@rcnp.osaka-u.ac.jp [Research Center for Nuclear Physics, Osaka University, Mihogaoka 10-1, Ibaraki, Osaka 567-0047 (Japan); Bouchigny, S. [IN2P3, Institut de Physique Nucleaire, F-91406 Orsay (France); CEA LIST, BP6-92265 Fontenay-aux-Roses, CEDEX (France); Didelez, J.-P. [IN2P3, Institut de Physique Nucleaire, F-91406 Orsay (France); Fujiwara, M. [Research Center for Nuclear Physics, Osaka University, Mihogaoka 10-1, Ibaraki, Osaka 567-0047 (Japan); Fukuda, K. [Kansai University of Nursing and Health Sciences, Shizuki Awaji 656-2131 (Japan); Kohri, H.; Kunimatsu, T.; Morisaki, C.; Ono, S. [Research Center for Nuclear Physics, Osaka University, Mihogaoka 10-1, Ibaraki, Osaka 567-0047 (Japan); Rouille, G. [IN2P3, Institut de Physique Nucleaire, F-91406 Orsay (France); Tanaka, M. [Kobe Tokiwa University, Ohtani-cho 2-6-2, Nagata, Kobe 653-0838 (Japan); Ueda, K.; Uraki, M.; Utsuro, M. [Research Center for Nuclear Physics, Osaka University, Mihogaoka 10-1, Ibaraki, Osaka 567-0047 (Japan); Wang, S.Y. [Institute of Physics, Academia Sinica, Taipei 11529, Taiwan (China); Department of Physics, National Kaohsiung Normal University, Kaohsiung 824, Taiwan (China); Yosoi, M. [Research Center for Nuclear Physics, Osaka University, Mihogaoka 10-1, Ibaraki, Osaka 567-0047 (Japan)

2012-02-01

We have developed a new cryogenic distillation system to purify Hydrogen-Deuteride (HD) gas for polarized HD targets in LEPS experiments at SPring-8. A small amount of ortho-H{sub 2} ({approx}0.01%) in the HD gas plays an important role in efficiently polarizing the HD target. Since there are 1-5% impurities of H{sub 2} and D{sub 2} in commercially available HD gases, it is necessary to purify the HD gas up to {approx}99.99%. The distillation system is equipped with a cryogenic distillation unit filled with many small stainless steel cells called 'Heli-pack'. The distillation unit consists of a condenser part, a rectification part, and a reboiler part. The unit is kept at the temperature of 17-21 K. The Heli-pack has a large surface area that makes a good contact between gases and liquids. An amount of 5.2 mol of commercial HD gas is fed into the distillation unit. Three trials were carried out to purify the HD gas by changing temperatures (17.5 K and 20.5 K) and gas extraction speeds (1.3 ml/min and 5.2 ml/min). The extracted gas was analyzed using a gas analyzer system combining a quadrupole mass spectrometer with a gas chromatograph. One mol of HD gas with a purity better than 99.99% has been successfully obtained for the first time. The effective NTP (Number of Theoretical Plates), which is an indication of the distillation performances, is obtained to be 37.2{+-}0.6. This value is in good agreement with a designed value of 37.9. The HD target is expected to be efficiently polarized under a well-controlled condition by adding an optimal amount of ortho-H{sub 2} to the purified HD gas.

New labeling methods via organometallic species: new synthesis of a chiral methyl group

International Nuclear Information System (INIS)

Faucher, Nicolas

2000-01-01

Chapter 1: New labeling methods via organometallic species. In the first part of this work, we have developed a new labeling strategy based on the hydrogenolysis of organolithium compounds with tritium gas or deuterium gas. This reaction is catalyzed with palladium on charcoal and leads to the labelled compounds with direct replacement of the proton by its isotopes ("2H or "3H) without further chemical modification of the target molecule. Using this strategy, tritium or deuterium atoms can be introduced in a region but also in a stereoselective fashion with more than 90% ee. The former result was obtained using (-)-sparteine during the lithiation step. Chapter II: New synthesis of a chiral methyl group. In the second part of this work, we have developed a new synthetic method to prepare chiral ditosyl-methylamine using 4,5-disubstituted oxazolidines. Dia-stereoselective substitution of the methoxy group of a 2-alkoxy-oxazolidine by a deuteride in the presence of a Lewis acid leads to the 2-deutero-oxazolidine in a highly stereoselective fashion (de = 100%). Still using a lewis acid, a tritiated hydride open the former 2-deutero-oxazolidine to afford chiral methyl group borne by the nitrogen. Further de-protection and re-protection steps lead to the ditosyl-methylamine with an ee of 65% (RIS= 83/17). Nowadays, this is the best known synthetic method, not only in terms of enantioselectivity but also in terms of chemical yield and number of radioactive steps. As NTs_2 is a fairly good leaving group, the ditosyl-methylamine offers the possibility of introducing chiral methyl group in many substrates using a S_N2 reaction with various nucleophiles. This last point leads to many potential applications in the field of biochemistry or for mechanical studies. (author) [fr

Modelling of oxidation and hydriding behaviour of Zircaloy-2 pressure tubes in PHWR

International Nuclear Information System (INIS)

Sah, D.N.; Sunil Kumar; Khan, K.B.

2002-01-01

A computer model named DOCTOR (Deuteriding of Coolant Tubes during Operation of Reactor) has been developed for predicting the axial profile of oxide thickness and hydrogen (Deuterium) concentration in PHWR pressure tubes. This model is applicable to single channel or full core analysis. The main source of hydrogen is considered to be oxidation of pressure tube on the i.d. surface by high temperature coolant water. Three stages of oxidation is considered namely, pre- transition, post transition and accelerated. Oxidation rate is considered to be dependent on channel power, axial power/flux distribution, coolant temperature and pre-existing oxide thickness at the location. The kinetics parameters for oxidation model are derived from the actual measurement of oxide thickness on a number of pressure tubes examined in PIE Division. The input data required for the model are: channel power, channel power factor, axial flux distribution, coolant inlet temperature, critical oxide thickness, hydrogen pick up fraction, initial hydrogen in the material and time of operation (efpy). The model calculates the oxide layer thickness on the inside surface of the pressure tube along the length. The amount of hydrogen picked up by the pressure tube is calculated from the oxide thickness using hydrogen pick up fraction determined from the PIE data. The pressure tube length is divided into a number of axial segments for calculation. The temperature and fast neutron flux assumed to be constant in a given segment. The axial temperature profile calculated from the axial power profile in the channel is used for calculating the oxidation rate at various locations in the pressure tube. The model has been validated with PIE data of hydrogen equivalent measurement on a number of irradiated Zircaloy-2 pressure tubes of various PHWRs. The performance of the model in predicting the axial profile of hydrogen in the pressure tubes has been found to be good. (author)

A method for investigation of the D({sup 4}He, γ){sup 6}Li reaction in the Ultralow energy region under a high background

Energy Technology Data Exchange (ETDEWEB)

Bystritsky, V.M. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Dudkin, G.N. [National Research Tomsk Polytechnic University, Tomsk (Russian Federation); Krylov, A.R. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Gazi, S.; Huran, J. [Institute of Electrical Engineering, Slovak Academy of Sciences, Bratislava (Slovakia); Nechaev, B.A.; Padalko, V.N. [National Research Tomsk Polytechnic University, Tomsk (Russian Federation); Sadovsky, A.B. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Tuleushev, Yu.Zh. [Institute of Nuclear Physics, Ministry of Power Engineering, Almaty (Kazakhstan); Filipowicz, M. [Faculty of Energy and Fuels, University of Science and Technologies, Krakow (Poland); Philippov, A.V. [Joint Institute for Nuclear Research, Dubna (Russian Federation)

2016-07-21

The cosmological lithium problem, that is, a noticeable discrepancy between the predicted and observed abundances of lithium, is in conflict with the Standard Big Bang Nucleosynthesis model. For example, the abundance of {sup 7}Li is 2–4 times smaller than predicted by the Standard Big Bang Nucleosynthesis. As to the abundance of {sup 6}Li, recent more accurate optical investigations have yielded only the upper limit on the {sup 6}Li/{sup 7}Li ratio, which makes the problem of {sup 6}Li abundance and accordingly of disagreement with the Standard Big Bang Nucleosynthesis predictions less acute. However, experimental study of the D({sup 4}He, γ){sup 6}Li reaction cross section is still of current importance because there is a theoretical approach predicting its anomalously large value in the region of energies below the Standard Big Bang Nucleosynthesis energy. The work is dedicated to the measurement of the cross section for the D({sup 4}He, γ){sup 6}Li reaction proceeding in zirconium deuteride at the incident {sup 4}He{sup +}ion energy of 36 keV. The experiment is performed at a pulsed Hall plasma accelerator with an energy spread of 20% FWHM. A method for direct measurement of the background from the reaction chain D({sup 4}He, {sup 4}He)D→D(D, n){sup 3}He→(n, γ) and/or (n, n′γ) ending with activation of the surrounding material by neutrons is proposed and implemented in the work. An upper limit on the D({sup 4}He, γ){sup 6}Li reaction cross section σ≤7·10{sup −36} cm{sup 2} at the 90% confidence level is obtained.

The labeling of unsaturated γ-hydroxybutyric acid by heavy isotopes of hydrogen: iridium complex-mediated H/D exchange by C─H bond activation vs reduction by boro-deuterides/tritides

DEFF Research Database (Denmark)

Marek, Ales; Pedersen, Martin Holst Friborg; Vogensen, Stine B.

2016-01-01

3-Hydroxycyclopent-1-ene-1-carboxylic acid (HOCPCA ( 1 )) is a potent ligand for high-affinity γ-hydroxybutyric acid binding sites in the central nervous system. Various approaches to the introduction of a hydrogen label onto the HOCPCA skeleton are reported. The outcomes of the feasible C...

The labeling of unsaturated gamma-hydroxybutyric acid by heavy isotopes of hydrogen: iridium complex-mediated H/D exchange by C-H bond activation vs reduction by boro-deuterides/tritides

Czech Academy of Sciences Publication Activity Database

Marek, Aleš; Pedersen, M. H. F.; Vogensen, S. B.; Clausen, R. P.; Frolund, B.; Elbert, Tomáš

2016-01-01

Roč. 59, č. 12 (2016), s. 476-483 ISSN 0362-4803 Institutional support: RVO:61388963 Keywords : C-H activation * borotritides * hydrogen/deuterium exchange * iridium catalyst * tritium-labeled gamma-hydroxybutyric acid Subject RIV: CC - Organic Chemistry Impact factor: 1.745, year: 2016

The labeling of unsaturated γ-hydroxybutyric acid by heavy isotopes of hydrogen: iridium complex-mediated H/D exchange by C─H bond activation vs reduction by boro-deuterides/tritides.

Science.gov (United States)

Marek, Aleš; Pedersen, Martin H F; Vogensen, Stine B; Clausen, Rasmus P; Frølund, Bente; Elbert, Tomáš

2016-10-01

3-Hydroxycyclopent-1-ene-1-carboxylic acid (HOCPCA (1)) is a potent ligand for high-affinity γ-hydroxybutyric acid binding sites in the central nervous system. Various approaches to the introduction of a hydrogen label onto the HOCPCA skeleton are reported. The outcomes of the feasible C─H activation of olefin carbon (C-2) by iridium catalyst are compared with the reduction of the carbonyl group (C-3) by freshly prepared borodeuterides. The most efficient iridium catalysts proved to be Kerr bulky phosphine N-heterocyclic species providing outstanding deuterium enrichment (up to 91%) in a short period of time. The highest deuterium enrichment (>99%) was achieved through the reduction of ketone precursor 2 by lithium trimethoxyborodeuteride. Hence, analogical conditions were used for the tritiation experiment. [ 3 H]-HOCPCA selectively labeled on the position C-3 was synthetized with radiochemical purity >99%, an isolated yield of 637 mCi and specific activity = 28.9 Ci/mmol. Copyright © 2016 John Wiley & Sons, Ltd.

Hydrogen storage properties of carbon nanomaterials and carbon containing metal hydrides

Energy Technology Data Exchange (ETDEWEB)

Maehlen, Jan Petter

2003-07-01

The topic of this thesis is structural investigations of carbon containing materials in respect to their hydrogen storage properties. This work was initially triggered by reports of extremely high hydrogen storage capacities of specific carbon nanostructures. It was decided to try to verify and understand the mechanisms in play in case of the existence of such high hydrogen densities in carbon. Two different routes towards the goal were employed; by studying selected hydrides with carbon as one of its constituents (mainly employing powder diffraction techniques in combination with hydrogen absorption and desorption measurements) and by carefully conducting hydrogen sorption experiments on what was believed to be the most ''promising'' carbon nanomaterial sample. In the latter case, a lot of effort was attributed to characterisations of different carbon nanomaterial containing samples with the aid of electron microscopy. Three different carbon-containing metal hydride systems, Y2C-H, YCoC-H and Y5SiC0.2-H, were examined. A relation between hydrogen occupation and the local arrangement of metal and carbon atoms surrounding the hydrogen sites was established. Several characteristic features of the compounds were noted in addition to solving the structure of the former unknown deuterideY5Si3C0.2D2.0 by the use of direct methods. Several carbon-nanomaterial containing samples were studied by means of transmission electron microscopy and powder diffraction, thus gaining knowledge concerning the structural aspects of nanomaterials. Based on these investigations, a specific sample containing a large amount of open-ended single-wall carbon nanotubes was chosen for subsequent hydrogen storage experiments. The latter experiments revealed moderate hydrogen storage capacities of the nanotubes not exceeding the values obtained for more conventional forms of carbon. These two different routes in investigating the hydrogen storage properties of carbon and carbon containing alloys

Hydrogen storage properties of carbon nanomaterials and carbon containing metal hydrides

Energy Technology Data Exchange (ETDEWEB)

Maehlen, Jan Petter

2003-07-01

The topic of this thesis is structural investigations of carbon containing materials in respect to their hydrogen storage properties. This work was initially triggered by reports of extremely high hydrogen storage capacities of specific carbon nanostructures. It was decided to try to verify and understand the mechanisms in play in case of the existence of such high hydrogen densities in carbon. Two different routes towards the goal were employed; by studying selected hydrides with carbon as one of its constituents (mainly employing powder diffraction techniques in combination with hydrogen absorption and desorption measurements) and by carefully conducting hydrogen sorption experiments on what was believed to be the most ''promising'' carbon nanomaterial sample. In the latter case, a lot of effort was attributed to characterisations of different carbon nanomaterial containing samples with the aid of electron microscopy. Three different carbon-containing metal hydride systems, Y2C-H, YCoC-H and Y5SiC0.2-H, were examined. A relation between hydrogen occupation and the local arrangement of metal and carbon atoms surrounding the hydrogen sites was established. Several characteristic features of the compounds were noted in addition to solving the structure of the former unknown deuterideY5Si3C0.2D2.0 by the use of direct methods. Several carbon-nanomaterial containing samples were studied by means of transmission electron microscopy and powder diffraction, thus gaining knowledge concerning the structural aspects of nanomaterials. Based on these investigations, a specific sample containing a large amount of open-ended single-wall carbon nanotubes was chosen for subsequent hydrogen storage experiments. The latter experiments revealed moderate hydrogen storage capacities of the nanotubes not exceeding the values obtained for more conventional forms of carbon. These two different routes in investigating the hydrogen storage properties of carbon and

Effect of spectral characterization of gaseous fuel reactors on transmutation and burning of actinides

Energy Technology Data Exchange (ETDEWEB)

Fung, C.; Anghaie, S. [Florida Univ., Wilmington, NC (United States)

2007-07-01

Gaseous Core Reactors (GCR) are fueled with stable uranium compounds in a reflected cavity. The spectral characteristics of neutrons in GCR systems could shift from one end of the spectrum to the other end by changing design parameters such as reflector material and thickness, uranium enrichment, and the average operational temperature and pressure. The rate of actinide generation, transmutation, and burnup is highly influenced by the average neutron energy in reactor core. In particular, the production rate and isotopic mix of plutonium are highly dependent on the neutron spectrum in the reactor. Other actinides of primary interest to this work are neptunium-237 and americium-241 due to their pivotal impact on high-level nuclear waste disposal. In all cavity reactors including GCR's, the reflector material and thickness are the most important design parameters in determining the core spectrum. The increase in the gaseous fuel pressure and enrichment results in relative shift of neutron population toward energies greater than 2 eV. Reflector materials considered in this study are beryllium oxide, lithium hydride, lithium deuteride, zirconium carbide, graphite, lead, and tungsten. Results of the study suggest that the beryllium oxide and tungsten reflected GCR systems set the lower (softest) and upper (hardest) limits of neutron spectra, respectively. The inventory of actinides with half-lives greater than 1000 years can be minimized by increasing neutron flux level in the reactor core. The higher the neutron flux, the lower the inventory of these actinides. The majority of the GCR designs maintained a flux level on the order of 10{sup 15} cm{sup -2}*s{sup -1} while the PWR flux is one order of magnitude lower. The inventory of the feeder isotopes to Np{sup 237} including U{sup 237}, Pu{sup 241}, and Am{sup 241} decreases with relative shift of neutron spectrum toward higher energies. This is due to increased resonance absorption in these isotopes due to higher

Interplay between crystal and magnetic structures in YFe{sub 2}(H{sub α}D{sub 1−α}){sub 4.2} compounds studied by neutron diffraction

Energy Technology Data Exchange (ETDEWEB)

Paul-Boncour, V., E-mail: paulbon@icmpe.cnrs.fr [Université de Paris Est, ICMPE, CNRS-UPEC, UMR7182, 2-8 rue Henri Dunant, 94320 Thiais (France); Guillot, M. [LNCMI, CNRS, BP166, 38042 Grenoble Cedex 9 (France); Isnard, O. [CNRS, Institut Néel, 38042 Grenoble (France); Univ. Grenoble Alpes, Inst. Néel, 38042 Grenoble (France); Ouladdiaf, B. [Institut Laue Langevin, 71 avenue des Martyrs, 38042 Grenoble Cedex 9 (France); Hoser, A. [Helmholtz-Zentrum Berlin für Materialien und Energie, Glienicker Str. 100, D-141 09 Berlin (Germany); Hansen, T. [Institut Laue Langevin, 71 avenue des Martyrs, 38042 Grenoble Cedex 9 (France); Stuesser, N. [Helmholtz-Zentrum Berlin für Materialien und Energie, Glienicker Str. 100, D-141 09 Berlin (Germany)

2017-01-15

We report a detailed magnetic structure investigation of YFe{sub 2}(H{sub α}D{sub 1−α}){sub 4.2} (α=0, 0.64, 1) compounds presenting a strong (H,D) isotope effect by neutron diffraction and Mössbauer spectroscopy analysis. They crystallize in the same monoclinic structure (Pc space group) with 8 inequivalent Fe sites having different H(D) environment. At low temperature, the compounds are ferromagnetic (FM) and show an easy magnetization axis perpendicular to the b axis and only slightly tilted away from the c axis. Upon heating, they display a first order transition from a ferromagnetic towards an antiferromagnetic (AFM) structure at T{sub M0} which is sensitive to the H/D isotope nature. The AFM cell is described by doubling the crystal cell along the monoclinic b axis. It presents an unusual coexistence of non magnetic Fe layer sandwiched by two thicker ferromagnetic Fe layers which are antiparallel to each other. This FM-AFM transition is driven by the loss of ordered moment on one Fe site (Fe7) through an itinerant electron metamagnetic (IEM) behaviour. The key role of the Fe7 position is assigned to both its hydrogen rich atomic environment and its geometric position. Above T{sub M0} a field induced metamagnetic transition is observed from the AFM towards the FM structure accompanied by a cell volume increase. Both thermal and magnetic field dependence of the magnetic structure are found strongly related to the anisotropic cell distortion induced by (H,D) order in interstitial sites. - Graphical abstract: Representation of the FM-AFM magnetic structures of YFe{sub 2}D{sub 4.2} deuteride. - Highlights: • YFe{sub 2}(H,D){sub 4.2} compounds undergoes a isotope sensitive FM-AFM transition at T{sub M0}. • The FM structure is formed of Fe moments perpendicular to the monoclinic b axis. • AFM structure is formed by antiparallel Fe layers separated by non-magnetic Fe layer. • One Fe site among eight loses its moment at T{sub M0} due to larger Fe�

Review of plasma physics research in Malaysia

International Nuclear Information System (INIS)

Lee, S.

1982-01-01

The energy trends of Malaysia projected for the next few decades are briefly discussed as a background to the rationale for Malaysian research into new forms of energy including plasma fusion. The planning of this research started nearly two decades ago. Today research facilities at PLUM centre on two capacitor banks, one rated at 40 kV, 48 kJ, 2 MA short circuit current and the other at 60 kV, 40 kJ, 2 MA. Other equipment includes several smaller capacitor banks, vacuum systems, oscilloscopes, diagnostic systems, a screened room, a transient digitizer, an Imacon camera and a 100 MW pulsed ruby laser for discharge initiation and diagnostics. The research devices include two plasma focus machines, one vacuum fusion spark, a shock tube and minor experiments like the glow discharge. The main focus facility, the UMDPF1, was designed and built entirely by indigenous effort, using 40 kV capacitors donated by Britain under the Colombo Plan. Difficulties were encountered especially in the need to adapt what is locally available or readily importable to all phases of the design, construction, testing and measurement. Nevertheless, the focus group has achieved the following results: measurement, in 1973, of neutrons produced in the deuterium focus; current, voltage, magnetic field and pressure measurements to interpret plasma dynamics and focus mechanism and to compare with computer simulation of plasma trajectory and configuration; soft X-ray measurements to determine electron temperature; study of the effect on the focus of rotation and multiple ionization up to Argon XVIII; and optimization of focus performance as judged from neutron yield. In 1977 PLUM acquired the Juelich DPF1 which was reassembled as a fast focus, the UMDPF2. This device has been converted to operate as a vacuum spark with the aim of demonstrating the spark as a neutron source when using a deuterided anode. We have measured temperatures of 8 keV in the dense plasma spots. Plasma research work here has

Controlled acrylate insertion regioselectivity in diazaphospholidine- sulfonato palladium(II) complexes

KAUST Repository

Wucher, Philipp

2012-12-24

Diazaphospholidine-sulfonato Pd(II) complexes [{κ2-P,O-(N- Ar2C2H4N2P)C6H 4SO3}PdMe(L)] 1-L (L = dmso, pyridine, lutidine, or μ-LiCl(solvent); 1a: Ar = Ph, 1b: Ar = 2-MeC6H4, 1c: Ar = 2-MeOC6H4, 1d: Ar = 2,4,6-Me3C 6H2, 1e: Ar = 2,6-iPr2C6H 3, 1f: Ar = 2,6-(p-tolyl)2C6H3) were prepared and structurally characterized. The regioselectivity of methyl acrylate (MA) insertion into the Pd-Me bond is entirely inverted from >93% 1,2-insertion for bulky substituents (1d-f, yielding the insertion products [(P̂O)Pd{κ2-C,O-CH2CHMeC(O)OMe], 12) to the usual electronically controlled 2,1-insertion (>95%) for the less bulky Ar = Ph (1a, yielding the insertion product [(P̂O)Pd{κ2-C,O- CHEtC(O)OMe], 11, and β-H elimination product methyl crotonate). DFT studies underline that this is due to a more favorable insertion transition state (2,1- favored by 12 kJ mol-1 over 1,2- for 1a) vs destabilization of the 2,1-insertion transition state in 1d,e. By contrast, MA insertion into the novel isolated and structurally characterized hydride and deuteride complexes [{κ2-P,O-(N-Ar2C 2H4N2P)C6H4SO 3}PdR(lutidine)] (Ar = 2,6-iPr2C6H3; 9e: R = H, 10e: R = D) occurs 2,1-selectively. This is due to the insertion occurring from the isomer with the P-donor and the olefin in trans arrangement, rather than the insertion into the alkyl from the cis isomer in which the olefin is in proximity to the bulky diazaphospholidine. 1a-f are precursors to active catalysts for ethylene polymerization to highly linear polyethylene with M n up to 35 000 g mol-1. In copolymerization experiments, norbornene was incorporated in up to 6.1 mol % into the polyethylene backbone. © 2012 American Chemical Society.

Order and disorder in Ca2ND0.90H0.10-A structural and thermal study

International Nuclear Information System (INIS)

Verbraeken, Maarten C.; Suard, Emmanuelle; Irvine, John T.S.

2011-01-01

The structure of calcium nitride hydride and its deuterided form has been re-examined at room temperature and studied at high temperature using neutron powder diffraction and thermal analysis. When synthesised at 600 deg. C, a mixture of both ordered and disordered Ca 2 ND 0.90 H 0.10 phases results. The disordered phase is the minor component and has a primitive rocksalt structure (spacegroup Fm3m) with no ordering of D/N on the anion sites and the ordered phase is best described using the rhombohedral spacegroup R-3m with D and N arranged in alternate layers in (111) planes. This mixture of ordered and disordered phases exists up to 580 deg. C, at which the loss of deuterium yields Ca 2 ND 0.85 with the disappearance of the disordered phase. In the new ordered phase there exists a similar content of vacancies on both anion sites; to achieve this balance, a little N transfers onto the D site, whereas there is no indication of D transferring onto the N-sites. These observations are thought to indicate that the D/N ordering is difficult to achieve with fully occupied anion sites. It has previously been reported that Ca 2 ND has an ordered cubic cell with alternating D and N sites in the [100] directions ; however, for the samples studied herein, there were clearly two coexisting phases with apparent broadening/splitting of the primitive peaks but not for the ordered peaks. The rhombohedral phase was in fact metrically cubic; however, all the observed peaks were consistent with the rhombohedral unit cell with no peaks requiring the larger ordered cubic unit cell to be utilised. Furthermore this rhombohedral cell displays the same form of N-D ordering as the Sr and Ba analogues, which are metrically rhombohedral. - Graphical abstract: Ca 2 ND 0.90 H 0.10 forms a mixture of ordered and disordered phases when synthesised at 600 deg. C. The ordered phase disappears at high temperature upon release of structural deuterium/hydrogen, leaving a single, partially disordered

Mechanistic features of isomerizing alkoxycarbonylation of methyl oleate

KAUST Repository

Roesle, Philipp

2012-10-24

The weakly coordinated triflate complex [(P̂P)Pd(OTf)] +(OTf)- (1) (P̂P = 1,3-bis(di-tert- butylphosphino)propane) is a suitable reactive precursor for mechanistic studies of the isomerizing alkoxcarbonylation of methyl oleate. Addition of CH 3OH or CD3OD to 1 forms the hydride species [(P ̂P)PdH(CH3OH)]+(OTf)- (2-CH3OH) or the deuteride [(P̂P)PdD(CD 3OD)]+(OTf)- (2D-CD3OD), respectively. Further reaction with pyridine cleanly affords the stable and isolable hydride [(P̂P)PdH(pyridine)]+(OTf) - (2-pyr). This complex yields the hydride fragment free of methanol by abstraction of pyridine with BF3OEt2, and thus provides an entry to mechanistic observations including intermediates reactive toward methanol. Exposure of methyl oleate (100 equiv) to 2D-CD 3OD resulted in rapid isomerization to the thermodynamic isomer distribution, 94.3% of internal olefins, 5.5% of α,β-unsaturated ester and <0.2% of terminal olefin. Reaction of 2-pyr/BF3OEt 2 with a stoichiometric amount of 1-13C-labeled 1-octene at -80 °C yields a 50:50 mixture of the linear alkyls [(P ̂P)Pd13CH2(CH2) 6CH3]+ and [(P̂P)PdCH 2(CH2)6 13CH3] + (4a and 4b). Further reaction with 13CO yields the linear acyls [(P̂P)Pd13C(=O)12/13CH 2(CH2)6 12/13CH3(L)] + (5-L; L = solvent or 13CO). Reaction of 2-pyr/BF 3·OEt2 with a stoichiometric amount of methyl oleate at -80 °C also resulted in fast isomerization to form a linear alkyl species [(P̂P)PdCH2(CH2) 16C(=O)OCH3]+ (6) and a branched alkyl stabilized by coordination of the ester carbonyl group as a four membered chelate [(P̂P)PdCH{(CH2)15CH 3}C(=O)OCH3]+ (7). Addition of carbon monoxide (2.5 equiv) at -80 °C resulted in insertion to form the linear acyl carbonyl [(P̂P)PdC(=O)(CH2)17C(=O)OCH 3(CO)]+ (8-CO) and the five-membered chelate [(P ̂P)PdC(=O)CH{(CH2)15CH3}C(=O) OCH3]+ (9). Exposure of 8-CO and 9 to 13CO at -50 °C results in gradual incorporation of the 13C label. Reversibility of 7 + CO ⇄ 9 is also evidenced by ΔG = -2.9 kcal mol-1 and

Hadron-pair production on transversely polarized targets in semi-inclusive deep inelastic scattering

Energy Technology Data Exchange (ETDEWEB)

Braun, Christopher

2014-07-29

deuteride and ammonia, serving as deuteron and proton targets, respectively. The work of this thesis started with the analysis of asymmetries of h{sup +}h{sup -} hadron-pairs from the 2010 high statistic data. The subsequent implementation of particle identification using the data from the RICH detector allowed discrimination between pure pion and kaon pairs, as well as mixed pairs. The results obtained motivated for an extension of this identification analysis to the previous deuteron 2003-2004 and proton 2007 data sets using the same methods and requirements as for the 2010 data. Hence, the full set of identified hadron-pair asymmetries from the COMPASS data on the deuteron and the proton target are presented in this work. The results are compared to model predictions and results from the HERMES collaboration. Finally an extraction of the transversity distribution function h{sub 1}{sup q}(x) for u and d valence quarks was carried out with these new results. In its second phase the COMPASS experiment will test a fundamental QCD relation linking SIDIS and Drell-Yan processes. An advanced type of scintillation fiber detector is crucial to the success of this measurement. The R and D efforts and the construction of this high rate capable detector requiring new approaches to the topic, are also described as part of this work.

Complex Hydride Compounds with Enhanced Hydrogen Storage Capacity

Energy Technology Data Exchange (ETDEWEB)

Mosher, Daniel A.; Opalka, Susanne M.; Tang, Xia; Laube, Bruce L.; Brown, Ronald J.; Vanderspurt, Thomas H.; Arsenault, Sarah; Wu, Robert; Strickler, Jamie; Anton, Donald L.; Zidan, Ragaiy; Berseth, Polly

2008-02-18

between alkaline metal hydrides (AmH), Alkaline earth metal hydrides (AeH2), alane (AlH3), transition metal (Tm) hydrides (TmHz, where z=1-3) and molecular hydrogen (H2). The effort started first with variations of known alanates and subsequently extended the search to unknown compounds. In this stage, the FPM techniques were developed and validated on known alanate materials such as NaAlH4 and Na2LiAlH6. The coupled predictive methodologies were used to survey over 200 proposed phases in six quaternary spaces, formed from various combinations of Na, Li Mg and/or Ti with Al and H. A wide range of alanate compounds was examined using SSP having additions of Ti, Cr, Co, Ni and Fe. A number of compositions and reaction paths were identified having H weight fractions up to 5.6 wt %, but none meeting the 7.5 wt%H reversible goal. Similarly, MSP of alanates produced a number of interesting compounds and general conclusions regarding reaction behavior of mixtures during processing, but no alanate based candidates meeting the 7.5 wt% goal. A novel alanate, LiMg(AlH4)3, was synthesized using SBP that demonstrated a 7.0 wt% capacity with a desorption temperature of 150°C. The deuteride form was synthesized and characterized by the Institute for Energy (IFE) in Norway to determine its crystalline structure for related FPM studies. However, the reaction exhibited exothermicity and therefore was not reversible under acceptable hydrogen gas pressures for on-board recharging. After the extensive studies of alanates, the material class of emphasis was shifted to borohydrides. Through SBP, several ligand-stabilized Mg(BH4)2 complexes were synthesized. The Mg(BH4)2*2NH3 complex was found to change behavior with slightly different synthesis conditions and/or aging. One of the two mechanisms was an amine-borane (NH3BH3) like dissociation reaction which released up to 16 wt %H and more conservatively 9 wt%H when not including H2 released from the NH3. From FPM, the stability of the Mg(BH4

The Separation of Hydrogen Tritium and Tritium Hydride by Gas Chromatography; Separation de l'hydrogene, du tritium et de l'hydrure de tritium par chromatographic en phase gazeuse; Razdelenie vodoroda, tritiya i gidrida tritiya posredstvom gazovoj khromatografii; Separacion del hidrogeno, tritio e hidruro de tritio por cromatografia de gases

Energy Technology Data Exchange (ETDEWEB)

Smith, H A; Carter, Jr, E H [University of Tennessee, Knoxville, TN (United States)

1962-01-15

Now that successful separation of hydrogen, deuterium and hydrogen deuteride has been achieved by gas chromatography, similar studies are being made dealing with mixtures of hydrogen, tritium and tritium hydride. Since tritium is used in tracer quantities the usual katharometer cannot be employed for its detection. This difficulty has been overcome by providing immediately following the katharometer a vibrating reed electrometer equipped with a high resistance leak which allows continuous monitoring of the activity of any tritium or tritium hydride emerging from the column by means of synchronized recorders. Separation of such mixtures has been tested with columns packed with palladium on silica, silica, alumina, and alumina coated with chromium oxide or ferric oxide. No effective separation was obtained with the palladium on silica column. Good separation was achieved with the plain silica column where hydrogen was employed as the carrier gas, but helium failed to elute the isotopes. Satisfactory results were obtained with the coated, partially deactivated alumina packing when helium or neon was the carrier gas, but the best separation was found with a column packing of uncoated activated alumina. Calibration with helium-tritium mixtures of known activity plus equilibrated hydrogen-tritium mixtures also of known activity allows quantitative estimation of tritium and tritium hydride. (author) [French] La separation de l'hydrogene, du deuterium et du deuterure d'hydrogene par chromatographic en phase gazeuse ayant ete realisee, on procede maintenant a des etudes semblables sur des melanges d'hydrogene de tritium et d'hydrure de tritium. Comme le tritium n'est present qu'en quantites infimes, on ne peut utiliser le catharometre ordinaire pour le detecter. On a surmonte cette difficulte en faisant suivre le catharometre d'un electrometre a lame vibrante, muni d'une fuite haute resistance, qui permet de mesurer, a l'aide d'enregistreurs synchronises, l'activite de

Pursuing nuclear energy with no nuclear contamination - from neutron flux reactor to deuteron flux reactor

International Nuclear Information System (INIS)

Li, X. Z.; Wei, Q. M.; Liu, B.; Zhu, X. G.; Ren, S. L.

2007-01-01

follows: (1) Selective Resonant tunneling model has predicted 3-deuteron fusion which has been found in experiments [6, 7] as well. The reasonable inference is the neutrino emission from the metal hydrides. The feasibility of detection of this neutrino is discussed based on the information from the KamLAND neutrino detector in Japan. (2) Nano-meter technique should be used to increase the deuterium flux through the palladium surface. (3) Gas-discharge tube in combination with optical monochrometer would be the suitable experiment at the current funding level. (4) Negative feed-back should be used to solve the problem of the reproducibility; then, based on the deuteron flux a self-sustaining reactor would be feasible. References [1]. Xing Z. Li, Jian Tian, Ming Y. Mei and Chong X. Li, 'Sub-barrier Fusion and Selective Resonant Tunneling,' Phys. Rev., C 61, 024610 (2000) [2]. Xing Z. Li, Bin Liu, Si Chen, Qing Ming Wei, and Heinrich Hora, 'Fusion cross-sections for inertial fusion energy,' Laser and Particle Beam, 22,469 (2004) [3]. G. Fralick , et al., 'Results of an Attempt to Measure Increased Rates of the Reaction D +D--- 3 He + n in a Nonelectrochemical Cold Fusion Experiment,' NASA Technical Memorandum 102430 (1989) [4]. Xing Z. Li, et al., 'Correlation between abnormal deuterium flux and heat flow in a D/Pd system,' J. Phys. D: Appl. Phys. 36 3095-3097, (2003) [5]. Y. Iwamura, et al., 'Elemental Analysis of Pd Complexes: Effects of D 2 gas permeation, 'Jpn. J. Appl. Phys., 41 4642 (2002) [6]. J. Kasagi, et al., 'Energetic Protons and Alpha Particles Emitted in 150-keV Deuteron Bombardment on Deuterated Ti,' J. Phys. Soc. Japan, 64 (3), 778 (1995) [7]. A. Takahashi, et al., 'Anomalous enhancement of three-body deuteron fusion in titanium deuteride with low-energy D + beam implantation,' Fusion Technol., 34, 256 (1998)

Condensed Matter Nuclear Science

Science.gov (United States)

Biberian, Jean-Paul

2006-02-01

1. General. A tribute to gene Mallove - the "Genie" reactor / K. Wallace and R. Stringham. An update of LENR for ICCF-11 (short course, 10/31/04) / E. Storms. New physical effects in metal deuterides / P. L. Hagelstein ... [et al.]. Reproducibility, controllability, and optimization of LENR experiments / D. J. Nagel -- 2. Experiments. Electrochemistry. Evidence of electromagnetic radiation from Ni-H systems / S. Focardi ... [et al.]. Superwave reality / I. Dardik. Excess heat in electrolysis experiments at energetics technologies / I. Dardik ... [et al.]. "Excess heat" during electrolysis in platinum/K[symbol]CO[symbol]/nickel light water system / J. Tian ... [et al.]. Innovative procedure for the, in situ, measurement of the resistive thermal coefficient of H(D)/Pd during electrolysis; cross-comparison of new elements detected in the Th-Hg-Pd-D(H) electrolytic cells / F. Celani ... [et al.]. Emergence of a high-temperature superconductivity in hydrogen cycled Pd compounds as an evidence for superstoihiometric H/D sites / A. Lipson ... [et al.]. Plasma electrolysis. Calorimetry of energy-efficient glow discharge - apparatus design and calibration / T. B. Benson and T. O. Passell. Generation of heat and products during plasma electrolysis / T. Mizuno ... [et al.]. Glow discharge. Excess heat production in Pd/D during periodic pulse discharge current in various conditions / A. B. Karabut. Beam experiments. Accelerator experiments and theoretical models for the electron screening effect in metallic environments / A. Huke, K. Czerski, and P. Heide. Evidence for a target-material dependence of the neutron-proton branching ratio in d+d reactions for deuteron energies below 20keV / A. Huke ... [et al.]. Experiments on condensed matter nuclear events in Kobe University / T. Minari ... [et al.]. Electron screening constraints for the cold fusion / K. Czerski, P. Heide, and A. Huke. Cavitation. Low mass 1.6 MHz sonofusion reactor / R. Stringham. Particle detection. Research