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

NASA Astrophysics Data System (ADS)

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.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Laine, Vivien E.

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 inmore » 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.« less

Excess Heat in Molten Salts of (LiCl - KCl) + (LiD + LiF) at the Titanium Electrode during Electrolysis

NASA Astrophysics Data System (ADS)

Tsvetkov, S. A.; Filatov, E. S.; Khokhlov, V. A.

2005-12-01

The electrochemical cell and a technique for precision calorimetric measurements has been developed. Experiments with molten salts containing lithium deuteride were carried out. Calorimetric measurements made on the titanium electrode during experiments. Measurements were made in an inert atmosphere of helium and in an atmosphere of deuterium at various density of an electrolysis current. Excess heat was obtained on the titanium electrode in a deuterium atmosphere during electrolysis. An x-ray diffraction analysis was made on the used titanium electrode. The analysis of the results obtained is discussed.

Diode laser spectroscopy of the MnD radical ( 7Σ) and the determination of mass-independent parameters

NASA Astrophysics Data System (ADS)

Urban, Rolf-Dieter; Jones, Harold

1991-03-01

The infrared spectrum of the manganese deuteride radical has been observed in its ground electronic state ( 7Σ) using a diode-laser spectrometer. The hyperfine structure of a number of infrared transitions in the bands ν=1←0, ν=2←1 and ν=3←2 were measured with a nominal accuracy of ±0.001 cm -1. In all cases, the complete structure was easily resolved. Dunham parameters, spin—rotation and spin—spin coupling parameters were determined from the MnD data. A simultaneous fit of these data with those determined previously for MnH was carried out to determine mass-independent parameters and mass-scaling coefficients.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sheppard, Daniel Glen; Kress, Joel David; Crockett, Scott

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 7360 1. Sesame 7360 is too stiff (5-10% excess pressure) at high compressions and high temperatures (ρ = 4-110g/cm 3, 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 sesamemore » 7360 was based on.« less

Mixed metal films with switchable optical properties

NASA Astrophysics Data System (ADS)

Richardson, T. J.; Slack, J. L.; Farangis, B.; Rubin, M. D.

2002-02-01

Thin, Pd-capped metallic films containing magnesium and first-row transition metals (Mn, Fe, Co) switch reversibly from their initial reflecting state to visually transparent states when exposed to gaseous hydrogen or following cathodic polarization in an alkaline electrolyte. Reversion to the reflecting state is achieved by exposure to air or by anodic polarization. The films were prepared by cosputtering from one magnesium target and one manganese, iron, or cobalt target. Both the dynamic optical switching range and the speed of the transition depend on the magnesium-transition metal ratio. Infrared spectra of films in the transparent, hydrided (deuterided) states support the presence of the intermetallic hydride phases Mg3MnH7, Mg2FeH6, and Mg2CoH5.

Enhancement of cold fusion in metal ``hydrides'' by screening of proton and deuteron charges

NASA Astrophysics Data System (ADS)

Burrows, Adam

1989-08-01

The production of fusion heat in a metal hydride (deuteride) lattice is problematic, since the reported ratio of power to neutron or γ-ray flux of some workers is much larger than that for any known conventional complement of fusion reactions. However, enhanced screening of the deuteron or proton charge in the lattice cages might enhance to modest levels the standard d+d-->3He+n,T+p and p+d-->3He+γ fusion reactions. By lowering the effective deuteron-deuteron and proton-deuteron Coulomb barriers, the effective Gamov penetration factor is increased substantially in metals in general, transition metals in particular, and perhaps enough to produce modest neutron fluxes and tritium yields.

Megajoule Dense Plasma Focus Solid Target Experiments

NASA Astrophysics Data System (ADS)

Podpaly, Y. A.; Falabella, S.; Link, A.; Povilus, A.; Higginson, D. P.; Shaw, B. H.; Cooper, C. M.; Chapman, S.; Bennett, N.; Sipe, N.; Olson, R.; Schmidt, A. E.

2016-10-01

Dense plasma focus (DPF) devices are plasma sources that can produce significant neutron yields from beam into gas interactions. Yield increases, up to approximately a factor of five, have been observed previously on DPFs using solid targets, such as CD2 and D2O ice. In this work, we report on deuterium solid-target experiments at the Gemini DPF. A rotatable target holder and baffle arrangement were installed in the Gemini device which allowed four targets to be deployed sequentially without breaking vacuum. Solid targets of titanium deuteride were installed and systematically studied at a variety of fill pressures, bias voltages, and target positions. Target holder design, experimental results, and comparison to simulations will be presented. Prepared by LLNL under Contract DE-AC52-07NA27344.

Beam-Target Helicity Asymmetry for γ → n → → π - p in the N * Resonance Region

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ho, D.; Peng, P.; Bass, C.

2017-06-01

We report the first beam-target double-polarization asymmetries in the gamma+n(p)->pi(-)+p(p) reaction spanning the nucleon resonance region from invariant mass W=1500 to 2300 MeV. Circularly polarized photons and longitudinally polarized deuterons in solid hydrogen deuteride (HD) have been used with the CEBAF Large Acceptance Spectrometer (CLAS) at Jefferson Lab. The exclusive final state has been extracted using three very different analyses that show excellent agreement, and these have been used to deduce the E polarization observable for an effective neutron target. These results have been incorporated into new partial wave analyses and have led to significant revisions for several gamma nN*more » resonance photocouplings.« less

Beam-Target Helicity Asymmetry for γ[over →]n[over →]→π^{-}p in the N^{*} Resonance Region.

PubMed

Ho, D; Peng, P; Bass, C; Collins, P; D'Angelo, A; Deur, A; Fleming, J; Hanretty, C; Kageya, T; Khandaker, M; Klein, F J; Klempt, E; Laine, V; Lowry, M M; Lu, H; Nepali, C; Nikonov, V A; O'Connell, T; Sandorfi, A M; Sarantsev, A V; Schumacher, R A; Strakovsky, I I; Švarc, A; Walford, N K; Wei, X; Whisnant, C S; Workman, R L; Zonta, I; Adhikari, K P; Adikaram, D; Akbar, Z; Amaryan, M J; Anefalos Pereira, S; Avakian, H; Ball, J; Bashkanov, M; Battaglieri, M; Batourine, V; Bedlinskiy, I; Biselli, A; Briscoe, W J; Burkert, V D; Carman, D S; Celentano, A; Charles, G; Chetry, T; Ciullo, G; Clark, L; Colaneri, L; Cole, P L; Contalbrigo, M; Crede, V; Dashyan, N; De Sanctis, E; De Vita, R; Djalali, C; Dupre, R; El Alaoui, A; El Fassi, L; Elouadrhiri, L; Eugenio, P; Fedotov, G; Fegan, S; Fersch, R; Filippi, A; Fradi, A; Ghandilyan, Y; Gilfoyle, G P; Girod, F X; Glazier, D I; Gleason, C; Gohn, W; Golovatch, E; Gothe, R W; Griffioen, K A; Guidal, M; Guo, L; Hakobyan, H; Harrison, N; Hattawy, M; Hicks, K; Holtrop, M; Hughes, S M; Ilieva, Y; Ireland, D G; Ishkhanov, B S; Isupov, E L; Jenkins, D; Jiang, H; Jo, H S; Joo, K; Joosten, S; Keller, D; Khachatryan, G; Kim, A; Kim, W; Klein, A; Kubarovsky, V; Kuleshov, S V; Lanza, L; Lenisa, P; Livingston, K; MacGregor, I J D; Markov, N; McKinnon, B; Mineeva, T; Mokeev, V; Montgomery, R A; Movsisyan, A; Munoz Camacho, C; Murdoch, G; Niccolai, S; Niculescu, G; Osipenko, M; Paolone, M; Paremuzyan, R; Park, K; Pasyuk, E; Phelps, W; Pogorelko, O; Price, J W; Procureur, S; Protopopescu, D; Ripani, M; Riser, D; Ritchie, B G; Rizzo, A; Rosner, G; Sabatié, F; Salgado, C; Sharabian, Y G; Skorodumina, Iu; Smith, G D; Sober, D I; Sokhan, D; Sparveris, N; Strauch, S; Tian, Ye; Torayev, B; Ungaro, M; Voskanyan, H; Voutier, E; Watts, D P; Wood, M H; Zachariou, N; Zhang, J; Zhao, Z W

2017-06-16

We report the first beam-target double-polarization asymmetries in the γ+n(p)→π^{-}+p(p) reaction spanning the nucleon resonance region from invariant mass W=1500 to 2300 MeV. Circularly polarized photons and longitudinally polarized deuterons in solid hydrogen deuteride (HD) have been used with the CEBAF Large Acceptance Spectrometer (CLAS) at Jefferson Lab. The exclusive final state has been extracted using three very different analyses that show excellent agreement, and these have been used to deduce the E polarization observable for an effective neutron target. These results have been incorporated into new partial wave analyses and have led to significant revisions for several γnN^{*} resonance photocouplings.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

Weak transitions in the (2,0) overtone band of the hydrogen deuteride molecule at λ =1.38 μ m 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.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maienschein, J.L.; Garcia, F.; Garza, R.G.

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 calculationalmore » 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.« less

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

NASA Astrophysics Data System (ADS)

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.

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

PubMed

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.

Production of tritium, neutrons, and heat based on the transmission resonance model (TRM) for cold fusion

NASA Astrophysics Data System (ADS)

Bush, Robert T.

1991-05-01

The TRM has recently been successful in fitting calorimetric data having interesting nonlinear structure. The model appears to provide a natural description for electrolytic cold fusion in terms of ``fractals''. Extended to the time dimension, the model can apparently account for the phenomenon of heat ``bursts''. The TRM combines a transmission condition involving quantized energies and an engergy shift of a Maxwell-Boltzmann energy distribution of deuterons at the cathodic surface that appears related to the concentration overpotential (hydrogen overvoltage). The model suggest three possible regimes vis-a-vis tritium production in terms of this energy shift, and indicates why measurable tritium production in the electrolytic case will tend to be the exception rather than the rule in absence of a recipe: Below a shift of approximately 2.8 meV there is production of both tritium and measureable excess heat, with the possibility of accounting for the Bockris curve indicating about a 1% correlation between excess heat and tritium. However, over the large range from about 2.8 meV to 340 meV energy shift there is a regime of observable excess heat production but little, and probably no measurable, tritium production. The third regime is more hypothetical: It begins at an energy shift of about 1 keV and extends to the boundaries of ``hot'' fusion at about 10 keV. A new type of nucelar reaction, trint (for transmission resonance-induced neutron transfer), is suggested by the model leading to triton and neutron production. A charge distribution ``polarization conjecture'' is the basis for theoretical derivation for the low-energy limit for an energy-dependent branching ratio for D-on-D. When the values of the parameters are inserted, this expression yields an estimate for the ratio of neutron-to-triton production of about 1.64×10-9. The possibility of some three-body reactions is also suggested. A comparison of the TRM's transmission energy levels for palladium deuteride and titanium deuteride is interesting when compared to recent data on neutron emission by Zelenskii. Theoretical work relating the TRM to stoichiometric considerations appear to enhance the significance of this hypothetical model.

The electric dipole moment of magnesium deuteride, MgD.

PubMed

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.

Evidence for Coincident Fusion Products Using Silicon Surface-barrier Detectors

NASA Astrophysics Data System (ADS)

Jones, Steven; Scott, Mark; Keeney, Frank

2002-10-01

We report experimental results showing coincident proton and triton production from the reaction: d + d --> t (1.01 MeV) + p (3.02 MeV). Partially-deuterided thin titanium foils were positioned between two silicon surface-barrier detectors which were mounted in a small cylindrical vacuum chamber which also served as a Faraday cage. We performed Monte Carlo studies using the SRIM code to determine the expected energies of arriving particles after they exit the host foil. The dual-coincidence requirement reduces background to very low levels so that low yields from very thin TiD foils can be readily detected. In one sequence of experiments, we observed 74 foreground coincidences in the regions of interest compared with 24 background counts; the statistical significance is approximately ten standard deviations. A striking advance is that the repeatability from the dual-coincidence experiments is currently greater than 70%.

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

PubMed

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

NASA Astrophysics Data System (ADS)

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.

On the thermodynamics of phase transitions in metal hydrides

NASA Astrophysics Data System (ADS)

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.

The HD molecule in small and medium cages of clathrate hydrates: Quantum dynamics studied by neutron scattering measurements and computation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Colognesi, Daniele; Celli, Milva; Ulivi, Lorenzo, E-mail: lorenzo.ulivi@isc.cnr.it

2014-10-07

We report inelastic neutron scattering (INS) measurements on molecular hydrogen deuteride (HD) trapped in binary cubic (sII) and hexagonal (sH) clathrate hydrates, performed at low temperature using two different neutron spectrometers in order to probe both energy and momentum transfer. The INS spectra of binary clathrate samples exhibit a rich structure containing sharp bands arising from both the rotational transitions and the rattling modes of the guest molecule. For the clathrates with sII structure, there is a very good agreement with the rigorous fully quantum simulations which account for the subtle effects of the anisotropy, angular and radial, of themore » host cage on the HD microscopic dynamics. The sH clathrate sample presents a much greater challenge, due to the uncertainties regarding the crystal structure, which is known only for similar crystals with different promoter, but nor for HD (or H{sub 2}) plus methyl tert-butyl ether (MTBE-d12)« less

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

PubMed

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.

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

PubMed Central

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

2016-01-01

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. PMID:27403638

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

DOE PAGES

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

2015-12-17

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. Here, 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 (LiDmore » $$_{\\beta}$$ , $$\\beta =0.25$$ , 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. Finally, we observed the formation of some D 2 molecules at high D concentrations.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maienschein, J.L.; Garcia, F.; Garza, R.G.

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 4{times}10{sup 4}--10{sup 6} disintegrations per minute (dpm)/cm{sup 2} to 2{times}10{sup 2}--4{times}10{sup 4} dpm/cm{sup 2}. Details on the decontamination operation are provided. A seriesmore » 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.« less

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

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, andmore » 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.« less

Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

DOE PAGES

Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; ...

2015-08-10

The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging’ mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate amore » low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. Lastly, the present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts.« less

Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

PubMed Central

Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Tanaka, Yoshihito; Lubitz, Wolfgang; Cramer, Stephen P.

2015-01-01

The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging' mode involving H− motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H− binding Ni more tightly than Fe. The present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts. PMID:26259066

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zonta, Irene

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 forwardmore » 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 H 2 and D 2 in the Hydrogen-Deuteride gas which was used for the target of the g14 experiment.« less

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

NASA Astrophysics Data System (ADS)

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.

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

PubMed

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

2018-04-13

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±0.03_{stat}±0.08_{syst}  MHz (δν/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 m_{e}α^{6}, 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.

Lattice strain measurements of deuteride phase formation in epitaxial niobium on sapphire

NASA Astrophysics Data System (ADS)

Allain, Monica Marie Cortez

Deuteride phase formation in epitaxial niobium on sapphire was investigated for two film thicknesses (200 and 1200A). A palladium cap of approximately 40A facilitated deuterium absorption from the gas phase and each exposure condition ensured that the film passed through the miscibility gap. In situ resistivity and x-ray diffraction (XRD) provided a correlation between the film resistance and each of the phases. This correlation was used during helium-3 nuclear reaction analysis to determine the deuterium concentration at the beginning and end of the miscibility gap providing a closer look at the strain behavior vs. deuterium concentration within the single and two-phase region. Three orthogonal reciprocal lattice points, the out-of-plane (1--10), the in-plane (002), and the in-plane (110), were monitored with XRD during deuterium absorption to saturation. Cycling effects on the 1200A Nb film were analyzed and found not to influence the strain behavior. The strain was anisotropic for both films, giving an enhanced out-of-plane expansion relative to the two in-plane directions. This is consistent with a clamping force inhibiting in-plane expansion. The observed out-of-plane strain can be used to estimate the in-plane clamping stress; the result is approximately 1 and 2 GPa for the 1200 and 200A Nb films respectively. The volumetric expansion determined from in situ XRD measurements demonstrate that the know value of the specific volume of deuterium, Deltanu/O, in bulk Nb (Deltanu/O = 0.174) does not hold for thin-film, epitaxial geometry (Deltanu/O ≈ 1). Further, the behavior of the specific volume shows a discontinuity at the phase boundary that does not exist in bulk. Lattice strain and overall film expansion from simultaneous XRD and x-ray reflectivity (XRR) measurements, respectively, were performed on both films. These results demonstrate a larger out-of-plane film expansion compared to the out-of-plane lattice strain for the 1200A Nb film compared to the 200A Nb film. It is believe that this is a consequence of greater plasticity within the 1200A film and associated dislocation generation. The enhance plasticity is also confirmed by a greater loss in structural coherence for the 1200A film and the fact that the in-plane clamping stress is greater for the 200A film. Evidence of significant dislocation formation has been confirmed with high-resolution electron microscopy (HREM) for the 1200A Nb film. The HREM images were used to estimate a dislocation density of 1012 cm-2 after repeated cycling. A residual out-of-plane compressive strain was observed in the 1200A Nb film after complete deuterium evolution. This observation can be explained by irreversible interstitial dislocation loop formation.

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

NASA Astrophysics Data System (ADS)

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.

Full empirical potential curves for the X{sup 1}Σ{sup +} and A{sup 1}Π states of CH{sup +} from a direct-potential-fit analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cho, Young-Sang; Le Roy, Robert J.

2016-01-14

All available “conventional” absorption/emission spectroscopic data have been combined with photodissociation data and translational spectroscopy data in a global analysis that yields analytic potential energy and Born-Oppenheimer breakdown functions for the X{sup 1}Σ{sup +} and A{sup 1}Π states of CH{sup +} and its isotopologues that reproduce all of the data (on average) within their assigned uncertainties. For the ground X{sup 1}Σ{sup +} state, this fully quantum mechanical “Direct-Potential-Fit” analysis yielded an improved empirical well depth of D{sub e} = 34 362.8(3) cm{sup −1} and equilibrium bond length of r{sub e} = 1.128 462 5 (58) Å. For the A{sup 1}Π state, the resulting wellmore » depth and equilibrium bond length are D{sub e} = 10 303.7(3) cm{sup −1} and r{sub e} = 1.235 896 (14) Å, while the electronic isotope shift from the hydride to the deuteride is ΔT{sub e} = − 5.99(±0.08) cm{sup −1}.« less

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

NASA Astrophysics Data System (ADS)

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.

High-precision evaluation of the magnetic moment of the helion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neronov, Yu. I., E-mail: yineronov@mail.ru; Seregin, N. N.

NMR spectra of samples containing a mixture of hydrogen deuteride HD with pressure of about 80 atm and helium-3 with partial pressure of about 1 atm are analyzed. The ratio of the resonance frequencies of the nuclei, F({sup 3}He)/F(H{sub 2}), is determined to be 0.761786594(2), which is equal to the magnetic moment of the helion (bound in a helium atom) in the units of the magnetic moment of a proton (bound in molecular hydrogen). The uncertainty of two digits in the last place corresponds to a relative error of {delta}[F({sup 3}He)/F(H{sub 2})] = 2.6 Multiplication-Sign 10{sup -9}. The use ofmore » the known calculated data on the shielding of nuclei in the helium-3 atom ({sigma}({sup 3}He) = 59924(2) Multiplication-Sign 10{sup -9}) and on the shielding of protons in hydrogen ({sigma}(H{sub 2}) = 26288(2) Multiplication-Sign 10{sup -9}) yields a value of {mu}({sup 3}He)/{mu}{sub p} = -0.761812217(3) for the free magnetic moment of the helion in the units of the proton magnetic moment.« less

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

PubMed

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.

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

NASA Astrophysics Data System (ADS)

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

2016-10-01

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 6x108, and 1x107 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.

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

NASA Astrophysics Data System (ADS)

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.

Terminal Hydride Species in [FeFe]-Hydrogenases are Vibrationally Coupled to the Active Site Environment.

PubMed

Cramer, Stephen Paul; Pham, Cindy C; Mulder, David W; Pelmenschikov, Vladimir; King, Paul W; Ratzloff, Michael W; Wang, Hongxin; Mishra, Nakul; Alp, Ercan; Zhao, Jiyong; Hu, Michael Y; Tamasaku, Kenji; Yoda, Yoshitaka

2018-06-19

A combination of NRVS and FT-IR spectroscopies and DFT calculations was used to observe and characterize Fe-H/D bending modes in CrHydA1 [FeFe]-hydrogenase Cys-to-Ser variant C169S. Mutagenesis of cysteine to serine at position 169 changes the functional group adjacent to the H-cluster from a -SH to -OH, thus altering the proton transfer pathway. C169S has a significant reduction in catalytic activity compared to the native CrHydA1, presumably due to less efficient transfer of protons to the H-cluster. This mutation allowed effective capture of a hydride/deuteride intermediate and facilitated direct detection of the Fe-H/D normal modes. We find a significant shift to higher frequency in a Fe-H bending mode of the C169S variant, as compared to previous findings with reconstituted native and oxadithiolate (ODT) substituted CrHydA1. Rationalized by DFT calculations, we propose that this shift is caused by a stronger interaction between the -OH of C169S with the bridgehead -NH- of the active site, as compared to the -SH of C169 in the native enzyme. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

NASA Astrophysics Data System (ADS)

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.

Deploying Solid Targets in Dense Plasma Focus Devices for Improved Neutron Yields

NASA Astrophysics Data System (ADS)

Podpaly, Y. A.; Chapman, S.; Povilus, A.; Falabella, S.; Link, A.; Shaw, B. H.; Cooper, C. M.; Higginson, D.; Holod, I.; Sipe, N.; Gall, B.; Schmidt, A. E.

2017-10-01

We report on recent progress in using solid targets in dense plasma focus (DPF) devices. DPFs have been observed to generate energetic ion beams during the pinch phase; these beams interact with the dense plasma in the pinch region as well as the background gas and are believed to be the primary neutron generation mechanism for a D2 gas fill. Targets can be placed in the beam path to enhance neutron yield and to shorten the neutron pulse if desired. In this work, we measure yields from placing titanium deuteride foils, deuterated polyethylene, and non-deuterated control targets in deuterium filled DPFs at both megajoule and kilojoule scales. Furthermore, we have deployed beryllium targets in a helium gas-filled, kilojoule scale DPF for use as a potential AmBe radiological source replacement. Neutron yield, neutron time of flight, and optical images are used to diagnose the effectiveness of target deployments relative to particle-in-cell simulation predictions. A discussion of target holder engineering for material compatibility and damage control will be shown as well. Prepared by LLNL under Contract DE-AC52-07NA27344. Supported by the Office of Defense Nuclear Nonproliferation Research and Development within U.S. DOE's National Nuclear Security Administration and the LLNL Institutional Computing Grand Challenge program.

High energy primary knock-on process in metal deuterium systems initiated by bombardment with noble gas ions

NASA Astrophysics Data System (ADS)

Gann, V. V.; Tolstolutskaya, G. D.

2008-08-01

An experimental study confirms the possibility of nuclear fusion reactions initiating in metal-deuterium targets by bombarding them with ions that are not the reagents of the fusion reaction, in particular, with noble gas ions. The yields of (d,d) and (d,t) reactions were measured as functions of energy (0.4-3.2 MeV) and mass of incident ions (He +, Ne +, Ar +, Kr + and Xe +). Irradiation by heavy ions produced a number of energetic deuterium atoms in the deuteride and deuterium + tritium metal targets. At ion energies of ˜0.1-1 MeV the d-d reaction yields are relatively high. A model of nuclear fusion reaction cross-sections in atomic collision cascades initiated by noble gas ion beam in metal-deuterium target is developed. The method for calculation tritium or deuterium recoil fluxes and the yield of d-d fusion reaction in subsequent collisions was proposed. It was shown that D(d,p)t and D(t,n) 4He reactions mainly occur in energy region of the recoiled D-atom from 10 keV to 250 keV. The calculated probabilities of d-d and d-t fusion reactions were found to be in a good agreement with the experimental data.

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

DOE PAGES

Abrams, T.; Jaworski, M. A.; Chen, M.; ...

2015-12-17

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 (>10 23 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 ofmore » 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 10 23-10 24 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. Lastly, these results imply that the temperature limit for a Li-coated PFC may be significantly higher than previously imagined.« less

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

NASA Astrophysics Data System (ADS)

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.

Nuts and Bolts of the Ion Band State Theory

NASA Astrophysics Data System (ADS)

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.

Observation of tritium in gas/plasma loaded titanium samples

NASA Astrophysics Data System (ADS)

Srinivasan, M.; Shyam, A.; Kaushik, T. C.; Rout, R. K.; Kulkarni, L. V.; Krishnan, M. S.; Malhotra, S. K.; Nagvenkar, V. G.; Iyengar, P. K.

1991-05-01

The observation of significant neutron yield from gas loaded titanium samples at Frascati in April 1989 opened up an alternate pathway to the investigation of anomalous nuclear phenomena in deuterium/solid systems, complimenting the electrolytic approach. Since then at least six different groups have successfully measured burst neutron emission from deuterated titanium shavings following the Frascati methodology, the special feature of which was the use of liquid nitrogen to create repeated thermal cycles resulting in the production of non-equilibrium conditions in the deuterated samples. At Trombay several variations of the gas loading procedure have been investigated including induction heating of single machined titanium targets in a glass chamber as well as use of a plasma focus device for deuteriding its central titanium electrode. Stemming from earlier observations both at BARC and elsewhere that tritium yield is ≂108 times higher than neutron output in cold fusion experiments, we have channelised our efforts to the search for tritium rather than neutrons. The presence of tritium in a variety gas/plasma loaded titanium samples has been established successfully through a direct measurement of the radiations emitted as a result of tritium decay, in contradistinction to other groups who have looked for tritium in the extracted gases. In some samples we have thus observed tritium levels of over 10 MBq with a corresponding (t/d) ratio of ≳10-5.

Structure of the intermediate Zr/sub 2/Br/sub 2/H by neutron diffraction and its structural and bonding relationships to other phases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wijeyesekera, S.D.; Corbett, J.D.

1986-12-17

The structures of the isomorphous Zr/sub 2/Br/sub 2/D and Zr/sub 2/Br/sub 2/H have been solved and refined by using Rietveld techniques on pulsed neutron diffraction data obtained from the powdered samples at 14 K (C2/m, a = 19.437 (3) A, b = 3.5253 (4) A, c = 5.9036 (6) A, ..beta.. = 100.98 (1)/sup 0/, R(profile)/R(expected) = 2.44 for the deuteride). The structure consists of layers sequenced Br-Zr-H-H-Zr-Br and arranged such that hydride lies in zigzag chains of distorted metal tetrahedra (or butterflies) (d(Zr-D) = 2.03-2.20 A; d(D-D) = 2.93 A). The structure is intermediate between ZrBr (ccp) and ZrBrHmore » (hcp heavy atoms, double H in trigonal-antiprismatic interstices) and can be generated by concerted intraslab slippage from either. The hemihydride effectively retains most of the strong Zr-Zr bonding of the ZrBr parent while tetrahedral bonding of hydrogen to metal is gained that is absent in ZrBrH. The energetics associated with the contrasting structures of YClH/sub x/ (ZrBr type) and ZrBrH are considered in terms of the results of extended-Hueckel band calculations. 25 references, 7 figures, 3 tables.« less

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

NASA Astrophysics Data System (ADS)

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.

MASS MEASUREMENTS IN PROTOPLANETARY DISKS FROM HYDROGEN DEUTERIDE

DOE Office of Scientific and Technical Information (OSTI.GOV)

McClure, M. K.; Bergin, E. A.; Cleeves, L. I., E-mail: mmcclure@eso.org, E-mail: ebergin@umich.edu, E-mail: ilse.cleeves@cfa.harvard.edu

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-tracingmore » 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.« less

Lines in the spectrum of /sup 6/LiD (3086--5156 A)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, K.C.

1976-01-01

The emission spectra of A/sup 1/..sigma../sup +/--X/sup 1/..sigma../sup +/ bands of /sup 6/LiD were photographed in the 3086 A - 5156 A region with a 3.4 meter Ebert Spectrograph of theoretical resolution of about 0.07 cm/sup -1/. High-purity /sup 6/LiD crystals were obtained from Oak Ridge National Laboratory. The atomic percent of /sup 6/Li in /sup 6/LiD was 95.58 percent. The discharge source is a demountable stainless steel hollow cathode lamp. The lithium deuteride crystals were packed into the cathode. Pressure in the discharge tube was about 10 to 20 torr of D/sub 2/. The discharge was run at aboutmore » 600 volts and 1.25 to 1.75 amperes. Acceptable spectra were obtained with exposure time of 6 hours. A Westinghouse iron hollow cathode was used to produce the iron spectrum for calibration. The plates were measured on the Gaertner photoplate comparator with an encoder system and on-line computer service at Argonne National Laboratory. The measured lines in the spectra of /sup 6/LiD are given in this report (COO-2326-18). Similar spectra for /sup 6/LiH and /sup 7/LiH are given in companion reports (COO-2326-17) and (COO-2326-19), respectively. The relative intensities of the lines are applicable only to short regions and do not extend over the whole spectrum.« less

Paramagnetic Attraction of Impurity-Helium Solids

NASA Technical Reports Server (NTRS)

Bernard, E. P.; Boltnev, R. E.; Khmelenko, V. V.; Lee, D. M.

2003-01-01

Impurity-helium solids are formed when a mixture of impurity and helium gases enters a volume of superfluid helium. Typical choices of impurity gas are hydrogen deuteride, deuterium, nitrogen, neon and argon, or a mixture of these. These solids consist of individual impurity atoms and molecules as well as clusters of impurity atoms and molecules covered with layers of solidified helium. The clusters have an imperfect crystalline structure and diameters ranging up to 90 angstroms, depending somewhat on the choice of impurity. Immediately following formation the clusters aggregate into loosely connected porous solids that are submerged in and completely permeated by the liquid helium. Im-He solids are extremely effective at stabilizing high concentrations of free radicals, which can be introduced by applying a high power RF dis- charge to the impurity gas mixture just before it strikes the super fluid helium. Average concentrations of 10(exp 19) nitrogen atoms/cc and 5 x 10(exp 18) deuterium atoms/cc can be achieved this way. It shows a typical sample formed from a mixture of atomic and molecular hydrogen and deuterium. It shows typical sample formed from atomic and molecular nitrogen. Much of the stability of Im-He solids is attributed to their very large surface area to volume ratio and their permeation by super fluid helium. Heat resulting from a chance meeting and recombination of free radicals is quickly dissipated by the super fluid helium instead of thermally promoting the diffusion of other nearby free radicals.

Laboratory Rotational Spectroscopy of Astrophysical Interesting Diatomic Hydrides

NASA Astrophysics Data System (ADS)

Halfen, DeWayne; Ziurys, L.

2008-05-01

Diatomic hydride are among the most common molecular species in the interstellar medium (ISM). The low molecular mass and thus moments of inertia cause their rotational spectra to lie entirely in the submillimeter and far-infrared regions. Hence, the future airborne and space-borne platforms, such as SOFIA and Herschel, are primed to explore these prevalent molecules. However, in order to detect these species in the ISM, their rotational spectra must first be measured in the laboratory. Using submillimeter direct absorption methods in the Ziurys laboratory, we have recorded the spectra of several diatomic hydrides of astrophysical interest. We have measured the pure rotational spectrum of MnH (X7Σ+: N = 0 - 1) and MnD (N = 2 - 3), as well as the deuterium and carbon-13 isotopologues of CH, CD (X2Πr: N = 1 - 1 and 1 - 2) and 13CH (N = 1 - 1). Manganese hydride and deuteride were created in a DC discharge of H2 or D2 and manganese vapor, generated in a Broida-type oven. CD and 13CH were produced in an AC discharge of argon and CD4 or 13CH4. For MnH, the five strongest manganese hyperfine transitions were recorded in its N = 0 - 1 transition, each of which are additionally split by hydrogen hyperfine interactions. CD and 13CH also have multiple hyperfine components due to the D, 13C, and/or H atoms. The direct measurement of these fundamental transitions will allow for unambiguous astronomical detections. The results of these studies will be presented.

Dynamics of the active site architecture in plant-type ferredoxin-NADP(+) reductases catalytic complexes.

PubMed

Sánchez-Azqueta, Ana; Catalano-Dupuy, Daniela L; López-Rivero, Arleth; Tondo, María Laura; Orellano, Elena G; Ceccarelli, Eduardo A; Medina, Milagros

2014-10-01

Kinetic isotope effects in reactions involving hydride transfer and their temperature dependence are powerful tools to explore dynamics of enzyme catalytic sites. In plant-type ferredoxin-NADP(+) reductases the FAD cofactor exchanges a hydride with the NADP(H) coenzyme. Rates for these processes are considerably faster for the plastidic members (FNR) of the family than for those belonging to the bacterial class (FPR). Hydride transfer (HT) and deuteride transfer (DT) rates for the NADP(+) coenzyme reduction of four plant-type FNRs (two representatives of the plastidic type FNRs and the other two from the bacterial class), and their temperature dependences are here examined applying a full tunnelling model with coupled environmental fluctuations. Parameters for the two plastidic FNRs confirm a tunnelling reaction with active dynamics contributions, but isotope effects on Arrhenius factors indicate a larger contribution for donor-acceptor distance (DAD) dynamics in the Pisum sativum FNR reaction than in the Anabaena FNR reaction. On the other hand, parameters for bacterial FPRs are consistent with passive environmental reorganisation movements dominating the HT coordinate and no contribution of DAD sampling or gating fluctuations. This indicates that active sites of FPRs are more organised and rigid than those of FNRs. These differences must be due to adaptation of the active sites and catalytic mechanisms to fulfil their particular metabolic roles, establishing a compromise between protein flexibility and functional optimisation. Analysis of site-directed mutants in plastidic enzymes additionally indicates the requirement of a minimal optimal architecture in the catalytic complex to provide a favourable gating contribution. Copyright © 2014 Elsevier B.V. All rights reserved.

Investigation of Deuterium Loaded Materials Subject to X-Ray Exposure

NASA Technical Reports Server (NTRS)

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;

Neutron diffraction studies of some rare earth-transition metal deuterides

NASA Astrophysics Data System (ADS)

James, W. J.

1984-04-01

Neutron diffraction studies of the ternary alloy system Y6(Fel-xMnx)23 reveal that the unusual magnetic behavior upon substitution of Mn or Fe into the end members, is a consequence of atomic ordering wherein there is strong site preference of Mn for the f sub 2 sites and of Fe for the f sub 1 sites. In the Mn-rich compositions, Fe is found to have no spontaneous moments. Therefore, the long range magnetic ordering arises solely from Mn-Mn interactions. Upon substitution of Mn into the Fe-rich ternaries, the Fe moments are considerably reduced. Neutron diffraction studies of Y6Mn23D23 show that a transition occurs below 180K from a fcc structure to a primitive tetragonal structure, space group P4/mmm with the onset of antiferromagnetic ordering. The Mn moments are directed along the c-axis. The transition probably results from atomic ordering of the D atoms at low temperature which induces c axis magnetic ordering. The question of the appropriate space group of LaNi4.5Al0.5D4.5, P6/mmm or P3/m has been resolved by a careful refinement and analysis of neutron diffraction data. The preferred space group is P6/mmm. Neutron powder diffraction and thermal magnetization measurements on small single crystals of ErNi3, ErCo3, and ErFe3 (space group R3m) show that the magnetocrystalline properties are a consequence of competing local site anisotropies between the two non-equivalent crystallographic sites of Er and two of the three non-equivalent sites of the 3d-transition metal.

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

NASA Astrophysics Data System (ADS)

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.

In operando neutron diffraction study of LaNdMgNi9H13 as a metal hydride battery anode

NASA Astrophysics Data System (ADS)

Nazer, N. S.; Denys, R. V.; Yartys, V. A.; Hu, Wei-Kang; Latroche, M.; Cuevas, F.; Hauback, B. C.; Henry, P. F.; Arnberg, L.

2017-03-01

La2MgNi9-related alloys are superior metal hydride battery anodes as compared to the commercial AB5 alloys. Nd-substituted La2-yNdyMgNi9 intermetallics are of particular interest because of increased diffusion rate of hydrogen and thus improved performance at high discharge currents. The present work presents in operando characterization of the LaNdMgNi9 intermetallic as anode for the nickel metal hydride (Ni-MH) battery. We have studied the structural evolution of LaNdMgNi9 during its charge and discharge using in situ neutron powder diffraction. The work included experiments using deuterium gas and electrochemical charge-discharge measurements. The alloy exhibited a high electrochemical discharge capacity (373 mAh/g) which is 20% higher than the AB5 type alloys. A saturated β-deuteride synthesized by solid-gas reaction at PD2 = 1.6 MPa contained 12.9 deuterium atoms per formula unit (D/f.u.) which resulted in a volume expansion of 26.1%. During the electrochemical charging, the volume expansion (23.4%) and D-contents were found to be slightly reduced. The reversible electrochemical cycling is performed through the formation of a two-phase mixture of the α-solid solution and β-hydride phases. Nd substitution contributes to the high-rate dischargeability, while maintaining a good cyclic stability. Electrochemical Impedance Spectroscopy (EIS) was used to characterize the anode electrode on cycling. A mathematical model for the impedance response of a porous electrode was utilized. The EIS showed a decreased hydrogen transport rate during the long-term cycling, which indicated a corresponding slowing down of the electrochemical processes at the surface of the metal hydride anode.

Optical properties of metal-hydride switchable films

NASA Astrophysics Data System (ADS)

Griessen, Ronald

2001-03-01

In 1996 we discovered that yttrium-, lanthanum-, and rare-earth-hydride (REHx) films [1] protected by a thin palladium layer, exhibit spectacular changes in their optical properties when the hydrogen concentration x is increased from 2 to 3. For example, a 500 nm thick YH2 film is metallic and shiny while YH3 is yellowish and transparent. The transition is reversible, fast [2, 3], and can simply be induced by adding or removing hydrogen from the gas phase, an electrolyte or from an H containing liquid. The optical switching that occurs near the metal-insulator transition of these hydrides is remarkably robust as it is not affected by structural or compositional disorder. It occurs in polycrystalline and epitaxial films, in alloys with cubic or hexagonal crystal structures,and deuterides [4] switch as well as hydrides. At small length scales epitaxial YHx films exhibit surprising structural properties which open the way to pixel-by-pixel optical switching [5]. Colour-neutral switchable mirrors based on RE-Mg alloys [6] can be used in all-solid-state switchable devices. Newest results for Rare-Earth free switchable mirrors will be presented. [1] J. N. Huiberts, R. Griessen, J. H. Rector, R. J. Wijngaarden, J. P. Dekker, D. G. de Groot and N. J. Koeman, Nature 380 (1996) 231; [2] S. J. van der Molen, J. W. J. Kerssemakers, J. H. Rector, N. J. Koeman, B. Dam, R. Griessen, J. Appl. Phys. 86 (1999) 6107; [3] F. J. A. den Broeder, S. J. van der Molen, et al., Nature 394 (1998)656; [4] A. T. M. van Gogh, E. S. Kooij, R. Griessen, Phys. Rev. Lett. 83 (1999) 4614; [5] J. W. J. Kerssemakers, S. J. van der Molen and R. Griessen, Nature 406 (2000) 489; [6] P. van der Sluis, M. Ouwerkerk and P. A. Duine, Appl. Phys. Lett. 70 (1997) 3356.

Measurement of the E Polarization Observable for yd --> pi^-p(p_s), yd-->K^0Lambda(p_s), and yd-->pi^+pi^-d(0) using CLAS g14 data at Jefferson Lab

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ho, Dao

Photoproduction of mesons from the nucleon has a long and ongoing tradition for exploring nucleon excitations and the baryon-baryon interaction. Polarization observables which play a role in the photoproduction mechanism are, therefore, essential in addition to the differential cross section. The CLAS collaboration at Jefferson Lab, has been active in measuring these observables, but until now only on a proton targets. However, a comprehensive picture of the pseudoscalar meson photoproduction requires neutron data as well. That is, paired measurements of observables in p and n reactions are necessary to disentangle the photoproduction mechanism on the basis of isospin I =more » 0, and I = 1 photo-coupling transition amplitudes. The g14 experiment with 'HDIce,' a longitudinally polarized solid target of molecular hydrogen-deuteride with low background contamination from other nuclear species, provided an unique opportunity to measure several polarization observables|for the first time|on the neutron for different channels. In particular, we present our measurements of the E beam-target polarization observable, which requires circularly polarized beam and a longitudinally polarized target, for p pi^-, K^0Lambda, and K^0Sigma^0 channels in the energy range of 1.5 lte W lte 2.3 GeV. In addition, we also utilized the g14 dataset to investigate the intrinsic spin of a possible dibaryonic ND bound state by measuring the E (beam-target) observable on the d-pi^+/-d channel of the reaction yd --> pi^+pi^-d(0). Finally, this thesis also discusses a highly efficient multivariate analysis method called Boosted Decision Trees, which we employed extensively for this work and which has not been used before in CLAS data analysis.« less

Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system.

PubMed

Drozdov, A P; Eremets, M I; Troyan, I A; Ksenofontov, V; Shylin, S I

2015-09-03

A superconductor is a material that can conduct electricity without resistance below a superconducting transition temperature, Tc. The highest Tc that has been achieved to date is in the copper oxide system: 133 kelvin at ambient pressure and 164 kelvin at high pressures. As the nature of superconductivity in these materials is still not fully understood (they are not conventional superconductors), the prospects for achieving still higher transition temperatures by this route are not clear. In contrast, the Bardeen-Cooper-Schrieffer theory of conventional superconductivity gives a guide for achieving high Tc with no theoretical upper bound--all that is needed is a favourable combination of high-frequency phonons, strong electron-phonon coupling, and a high density of states. These conditions can in principle be fulfilled for metallic hydrogen and covalent compounds dominated by hydrogen, as hydrogen atoms provide the necessary high-frequency phonon modes as well as the strong electron-phonon coupling. Numerous calculations support this idea and have predicted transition temperatures in the range 50-235 kelvin for many hydrides, but only a moderate Tc of 17 kelvin has been observed experimentally. Here we investigate sulfur hydride, where a Tc of 80 kelvin has been predicted. We find that this system transforms to a metal at a pressure of approximately 90 gigapascals. On cooling, we see signatures of superconductivity: a sharp drop of the resistivity to zero and a decrease of the transition temperature with magnetic field, with magnetic susceptibility measurements confirming a Tc of 203 kelvin. Moreover, a pronounced isotope shift of Tc in sulfur deuteride is suggestive of an electron-phonon mechanism of superconductivity that is consistent with the Bardeen-Cooper-Schrieffer scenario. We argue that the phase responsible for high-Tc superconductivity in this system is likely to be H3S, formed from H2S by decomposition under pressure. These findings raise hope for the prospects for achieving room-temperature superconductivity in other hydrogen-based materials.

State-To Chemical Dynamics of the Hydrogen Atom Plus Hydrogen R Groups/deuterium R Groups Goes to Hydrogen/hydrogen Deuteride Plus R Group Hydrogen Abstraction Reactions

NASA Astrophysics Data System (ADS)

Germann, Geoffrey James

1990-01-01

The rotational and vibrational quantum state population distributions of the H_2/HD products of the H + HR/DR to H_2 /HD + R reactions (HD/DR = CD_4, C_2H_6, C _3H_8) have been measured using CARS spectroscopy. Very little of the available energy is partitioned to the H_2 /HD products of these reactions, although more rotational energy is found in the hydrogen product molecule as the size of the R radical increases, f_{ rm int}/f_{rm v}/f_{rm r} is 0.15/0.06/0.09, 0.18/0.06/0.12 and 0.20/0.06/0.14 for the H + CD_4, C_2 H_6, and C_3 H_8 reactions, respectively. Some anomalous behavior is exhibited in the rotational distributions of the reactions. The quantum state distributions show that more rotational energy is partitioned to those molecules formed in v^' = 1, the vibrationally excited state, than is partitioned to the product molecules formed in v^' = 0, the vibrational ground state. Of the energy that is available to produce product rotation 8(15), 11(22) and 12(27)% is partitioned to rotationally excite the H _2/HD product molecules formed in the v^' = 0(v ^' = 1) quantum states in the H + CD_4, C_2H _6, and C_3H _8 reactions, respectively. Finally, the H_2 product quantum state population distributions of the H + C_2H _6 and H + C_3H _8 reactions are observed to become less energetic, both vibrationally and rotationally, more rapidly than the HD product of the H + CD_4 reaction as the H atom reactant is allowed to undergo a greater number of collisions. This final observation could be the result of the differences in structure of the C _2H_6, and C_3H_8 and the CD_4 molecules and/or the differences in the barriers to reaction in each of the reactions.

Crystal Properties and Radiation Effects in Solid Molecular Hydrogens

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kozioiziemski, B

2000-09-01

The crystal lattice structure, growth shapes and helium generated by beta-decay of solid deuterium-tritium (D-T) mixtures have been studied. Understanding of these D-T properties is important for predicting and optimizing the target design of the National Ignition Facility (NIF). Raman spectroscopy showed the D-T crystal structure is hexagonal close packed, common to the non-tritiated isotopes. The isotopic mixtures of both tritiated and non-tritiated species broadens the rotational transitions, especially of the lighter species in the mixture. The vibrational frequencies of each isotope is shifted to higher energy in the mixture than the pure components. The J = 1-0 population decreasesmore » exponentially with a 1/e time constant which rapidly increases above 10.5 K for both D{sub 2} and T{sub 2} in D-T. The conversion rate is nearly constant from 5 K to 10 K for both D{sub 2} and T{sub 2} at 7.1 hours and 2.1 hours, respectively. The smoothing of D-T layers by beta decay heating is limited by the crystal surface energy. Deuterium and hydrogen-deuteride crystals were grown at a number of temperatures below the triple point to determine the surface energy and roughening transition. Several distinct crystal shapes were observed on a number of different substrates. The a facet roughens between 0.9 T{sub TP} and T{sub TP}, while the c facet persists up to the melting temperature. This is very different from the behavior of the other rare gas crystals which grow completely rounded above 0.8 T{sub TP}. Helium bubbles formed as a product of the beta decay were observed using optical microscopy and the diffusion of smaller bubbles measured with dynamic light scattering. Bubble diffusion coefficients as high as 2.0 x 10{sup -16} m{sup 2}/s were measured for 10-50 nm bubbles. The bubbles move in response to a thermal gradient, with speeds between 1 {micro}m/hour and 100 {micro}m/hour for thermal gradients and temperatures appropriate to NIF targets.« less

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

NASA Astrophysics Data System (ADS)

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.

Reductive Elimination of H2 Activates Nitrogenase to Reduce the N≡N Triple Bond: Characterization of the E4(4H) Janus Intermediate in Wild-Type Enzyme.

PubMed

Lukoyanov, Dmitriy; Khadka, Nimesh; Yang, Zhi-Yong; Dean, Dennis R; Seefeldt, Lance C; Hoffman, Brian M

2016-08-24

We proposed a reductive elimination/oxidative addition (re/oa) mechanism for reduction of N2 to 2NH3 by nitrogenase, based on identification of a freeze-trapped intermediate of the α-70(Val→Ile) MoFe protein as the Janus intermediate that stores four reducing equivalents on FeMo-co as two [Fe-H-Fe] bridging hydrides (denoted E4(4H)). The mechanism postulates that obligatory re of the hydrides as H2 drives reduction of N2 to a state (denoted E4(2N2H)) with a moiety at the diazene (HN═NH) reduction level bound to the catalytic FeMo-co. EPR/ENDOR/photophysical measurements on wild type (WT) MoFe protein now establish this mechanism. They show that a state freeze-trapped during N2 reduction by WT MoFe is the same Janus intermediate, thereby establishing the α-70(Val→Ile) intermediate as a reliable guide to mechanism. Monitoring the Janus state in WT MoFe during N2 reduction under mixed-isotope condition, H2O buffer/D2, and the converse, establishes that the bridging hydrides/deuterides do not exchange with solvent during enzymatic turnover, thereby solving longstanding puzzles. Relaxation of E4(2N2H) to the WT resting-state is shown to occur via oa of H2 and release of N2 to form Janus, followed by sequential release of two H2, demonstrating the kinetic reversibility of the re/oa equilibrium. Relative populations of E4(2N2H)/E4(4H) freeze-trapped during WT turnover furthermore show that the reversible re/oa equilibrium between [E4(4H) + N2] and [E4(2N2H) + H2] is ∼ thermoneutral (ΔreG(0) ∼ -2 kcal/mol), whereas, by itself, hydrogenation of N2(g) is highly endergonic. These findings demonstrate that (i) re/oa accounts for the historical Key Constraints on mechanism, (ii) that Janus is central to N2 reduction by WT enzyme, which (iii) indeed occurs via the re/oa mechanism. Thus, emerges a picture of the central mechanistic steps by which nitrogenase carries out one of the most challenging chemical transformations in biology.

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

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paul-Boncour, V., E-mail: paulbon@icmpe.cnrs.fr; Guillot, M.; Isnard, O.

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 tomore » 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–H bonding. • Magnetic properties are driven by the monoclinic distortion induced by D order.« less

Far-infrared HD emission as a measure of protoplanetary disk mass

NASA Astrophysics Data System (ADS)

Trapman, L.; Miotello, A.; Kama, M.; van Dishoeck, E. F.; Bruderer, S.

2017-09-01

Context. Protoplanetary disks around young stars are the sites of planet formation. While the dust mass can be estimated using standard methods, determining the gas mass - and thus the amount of material available to form giant planets - has proven to be very difficult. Hydrogen deuteride (HD) is a promising alternative to the commonly used gas mass tracer, carbon monoxide. However, the potential of HD has not yet been investigated with models incorporating both HD and CO isotopologue-specific chemistry, and its sensitivity to uncertainties in disk parameters has not yet been quantified. Aims: We examine the robustness of HD as tracer of the disk gas mass, specifically the effect of gas mass on HD far-infrared emission and its sensitivity to the vertical structure. Also, we seek to provide requirements for future far-infrared missions such as SPICA. Methods: Deuterium chemistry reactions relevant for HD were implemented in the thermochemical code DALI and more than 160 disk models were run for a range of disk masses and vertical structures. Results: The HD J = 1-0 line intensity depends directly on the gas mass through a sublinear power law relation with a slope of 0.8. Assuming no prior knowledge about the vertical structure of a disk and using only the HD 1-0 flux, gas masses can be estimated to within a factor of two for low mass disks (Mdisk ≤ 10-3M⊙). For more massive disks, this uncertainty increases to more than an order of magnitude. Adding the HD 2-1 line or independent information about the vertical structure can reduce this uncertainty to a factor of 3 for all disk masses. For TW Hya, using the radial and vertical structure from the literature, the observations constrain the gas mass to 6 × 10-3M⊙ ≤ Mdisk ≤ 9 × 10-3M⊙. Future observations require a 5σ sensitivity of 1.8 × 10-20 W m-2 (2.5 × 10-20 W m-2) and a spectral resolving power R ≥ 300 (1000) to detect HD 1-0 (HD 2-1) for all disk masses above 10-5M⊙ with a line-to-continuum ratio ≥ 0.01. Conclusions: These results show that HD can be used as an independent gas mass tracer with a relatively low uncertainty and should be considered an important science goal for future far-infrared missions.

THE DEUTERIUM ISOTOPE RATE EFFECT IN FREE RADICAL REACTIONS OF t-CARBON DEUTERATED DDT AND ITS ANALOGS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dachauer, A.C.

1962-01-01

DDT and several of its analogs were synthesized with deuterium in the t- carbon position so that any chemical reaction involving this site in the molecule would then be subject to the deuterium isotope rate effect. Lithium aluminum deuteride, used as the source of the deuterium, was employed to reduce trichloromethyl p-chlorophenyl ketone, trichloromethyl p-bromophenyl ketone, and trichloromethyl p-methoxyphenyl ketone to the corresponding alcohols. The alcohols were then condensed with chlorobenzene, bromobenzene, and anisole respectively to form 1,1,1-trichloro2,2-bis(p-chloro-phenyl)ethane-2-d (d-DDT), 1,1,1-trichloro-2,2-bis (p-bromophenyl)ethane-2-d (d-DBrDT), and 1,1, 1-trichloro- 2,2-bis (p-methoxyphenyl)ethane (d-methoxychlor). The deuterated and non- deuterated insecticides were identical in physical appearance andmore » melting points. Infrared spectra showed sigrificant differences; in particular, each deuterated compound had a distinctive band at ca 10.5 mu , missing in the spectra of the non-deuterated insecticides. NMR analysis confirmed the tertiary position of the deuterium and gave proof of high isotopic purity, each insecticide being 98% deuterated in the desired site. The isotope rate effect was first studied in the reaction of DDT, methoxychlor, and their deuterated analogs with alcoholic sodium- hydroxide. The base catalyzed dehydrohalogenation showed an isotope rate effect, k/sub H//k/sub D/, of the order of 5.4 for DDT and 8 for methoxychlor. The results were considered to be of a magnitude sufficient for the isotope rate effect to be manifested in the in vivo studies. The insecticides and their deuterated analogs were tested for toxicity on houseflies. The results showed that d-DDT and d-DBrDT were more toxic than their non-deuterated counterparts by a factor of ca 1.5 while d-methoxychlor showed a toxicity equal to methoxychlor. The results are explained on the basis of the detoxication process in the insects. In vitro studies showed that DDT-dehydrochlorinase, an enzyme capable of detoxifying DDT, manifested the isotope rate effect. It appeared, therefore, that in the detoxication process, the deuterated insecticide reacted more slowly, and though the initial dose given to the insect was less than that of the non- deuterated insecticide, the amount reaching the susceptible site in the insect was the same. The data support the view that at least one mode of resistance to DDT is chemical in nature and that the tertiary carbon-hydrogen group is involved. The data also indicated that susceptible houseflies contain some mechanlsm that can detoxify DDT and that this detoxication is chemical and subject to the isotope rate effect. (P.C.H.)« less

Condensed Matter Nuclear Science

NASA Astrophysics Data System (ADS)

Takahashi, Akito; Ota, Ken-Ichiro; Iwamura, Yashuhiro

Preface -- 1. General. Progress in condensed matter nuclear science / A. Takahashi. Summary of ICCF-12 / X. Z. Li. Overview of light water/hydrogen-based low-energy nuclear reactions / G. H. Miley and P. J. Shrestha -- 2. Excess heat and He detection. Development of "DS-reactor" as the practical reactor of "cold fusion" based on the "DS-cell" with "DS-cathode" / Y. Arata and Y.-C. Zhang. Progress in excess of power experiments with electrochemical loading of deuterium in palladium / V. Violante ... [et al.]. Anomalous energy generation during conventional electrolysis / T. Mizuno and Y. Toriyabe. "Excess heat" induced by deuterium flux in palladium film / B. Liu ... [et al.]. Abnormal excess heat observed during Mizuno-type experiments / J.-F. Fauvarque, P. P. Clauzon and G. J.-M. Lallevé. Seebeck envelope calorimetry with a Pd|D[symbol]O + H[symbol]SO[symbol] electrolytic cell / W.-S. Zhang, J. Dash and Q. Wang. Observation and investigation of nuclear fusion and self-induced electric discharges in liquids / A. I. Koldamasov ... [et al.]. Description of a sensitive seebeck calorimeter used for cold fusion studies / E. Storms. Some recent results at ENEA / M. Apicella ... [et al.]. Heat measurement during plasma electrolysis / K. Iizumi ... [et al.]. Effect of an additive on thermal output during electrolysis of heavy water with a palladium cathode / Q. Wang and J. Dash. Thermal analysis of calorimetric systems / L. D'Aulerio ... [et al.]. Surface plasmons and low-energy nuclear reactions triggering / E. Castagna ... [et al.]. Production method for violent TCB jet plasma from cavity / F. Amini. New results and an ongoing excess heat controversy / L. Kowalski ... [et al.] -- 3. Transmutation. Observation of surface distribution of products by X-ray fluorescence spectrometry during D[symbol] gas permeation through Pd Complexes / Y. Iwamura ... [et al.]. Discharge experiment using Pd/CaO/Pd multi-layered cathode / S. Narita ... [et al.]. Producing transmutation element on multi-layered Pd sample by deuterium permeation / H. Yamada ... [et al.]. Experimental observation and combined investigation of high-performance fusion of iron-region isotopes in optimal growing microbiological associations / V. I. Vysotskii ... [et al.]. Research into low-energy nuclear reactions in cathode sample solid with production of excess heat, stable and radioactive impurity nuclides / A. B. Karabut. Influence of parameters of the glow discharge on change of structure and the isotope composition of the cathode materials / I. B. Savvatimova and D. V. Gavritenkov. Elemental analysis of palladium electrodes after Pd/Pd light water critical electrolysis / Y. Toriyabe ... [et al.]. Progress on the study of isotopic composition in metallic thin films undergone to electrochemical loading of hydrogen / M. Apicella ... [et al.]. In situ accelerator analyses of palladium complex under deuterium permeation / A. Kitamura ... [et al.]. High-resolution mass spectrum for deuterium (hydrogen) gas permeating palladium film / Q. M. Wei ... [et al.]. ICP-MS analysis of electrodes and electrolytes after HNO[symbol]/H[symbol]O electrolysis / S. Taniguchi ... [et al.]. The Italy-Japan project - fundamental research on cold transmutation process for treatment of nuclear wastes / A. Takahashi, F. Celani and Y. Iwamura -- 4. Nuclear physics approach. Reproducible nuclear emissions from Pd/PdO:Dx heterostructure during controlled exothermic deuterium desorption / A. G. Lipson ... [et al.]. Correct identification of energetic alpha and proton tracks in experiments on CR-39 charged particle detection during hydrogen desorption from Pd/PdO:H[symbol] heterostructure / A. S. Roussetski ... [et al.]. Intense non-linear soft X-ray emission from a hydride target during pulsed D bombardment / G. H. Miley ... [et al.]. Enhancement of first wall damage in ITER type TOKAMAK due to LENR effects / A. G. Lipson, G. H. Miley and H. Momota. Generation of DD-reactions in a ferroelectric KD[symbol]PO[symbol] single crystal during transition through curie point (Tc = 220K) / A. G. Lipson ... [et al.]. Study of energetic and temporal characteristics of X-ray emission from solid-state cathode medium of high-current glow discharge / A. B. Karabut. A novel LiF-based detector for X-ray imaging in hydrogen loaded Ni films under laser irradiation / R. M. Montereali ... [et al.]. Observation and modeling of the ordered motion of hypothetical magnetically charged particles on the multilayer surface and the problem of low-energy fusion / S. V. Adamenko and V. I. Vysotskii -- 5. Material science. Evidence of superstoichiometric H/D lenr active sites and high-temperature superconductivity in a hydrogen-cycled Pd/PdO / A. G. Lipson ... [et al.]. New procedures to make active, fractal-like surfaces on thin Pd wires / F. Celani ... [et al.]. Using resistivity to measure H/Pd and D/Pd loading: Method and significance / M. C. H. McKubre and F. L. Tanzella. Measurements of the temperature coefficient of electric resistivity of hydrogen overloaded Pd / A. Spallone ... [et al.]. Magnetic interaction of hypothetical particles moving beneath the electrode/electrolyte interface to elucidate evolution mechanism of vortex appeared on Pd surface after long-term evolution of deuterium in 0.1 m LiOD / H. Numata and M. Ban. Unusual structures on the material surfaces irradiated by low-energy ions / B. Rodionov and I. Savvatimova -- 6. Theory. Context for understanding why particular nanoscale crystals turn-on faster and other LENR effects / S. R. Chubb. Models for anomalies in condensed matter deuterides / P. L. Hagelstein. Time-dependent EQPET analysis of TSC / A. Takahashi. Unifying theory of low-energy nuclear reaction and transmutation processes in deuterated/hydrogenated metals, acoustic cavitation, glow discharge, and deuteron beam experiments / Y. E. Kim and A. L. Zubarev. Catalytic fusion and the interface between insulators and transition metals / T. A. Chubb. Multiple scattering of deuterium wave function near surface of palladium lattice / X. Z. Li ... [et al.]. Theoretical comparison between semi-classical and quantum tunneling effect / F. Frisone. New cooperative mechanisms of low-energy nuclear reactions using super low-energy external field / F. A. Gareev and I. E. Zhidkova. Polyneutron theory of transmutation / J. C. Fisher. The thermal conduction from the centers of the nuclear reactions in solids / K.-I. Tsuchiya. Four-body RST general nuclear wavefunctions and matrix elements / I. Chaudhary and P. L. Hagelstein. Study on formation of tetrahedral or octahedral symmetric condensation by hopping of alkali or alkaline-earth metal ion / H. Miura. Calculations of nuclear reactions probability in a crystal lattice of lanthanum deuteride / V. A. Kirkinskii and Yu. A. Novikov. Possible coupled electron and electron neutrino in nucleus and its physical catalysis effect on D-D cold fusion into helium in Pd / M. Fukuhara. Tunnel resonance of electron wave and force of fluctuation / M. Ban. Types of nuclear fusion in solids / N. Yabuuchi. Neutrino-dineutron reactions (low-energy nuclear reactions induced by D[symbol] gas permeation through Pd complexes - Y. Iwamura effect) / V. Muromtsev, V. Platonov and I. Savvatimova. An explanation of earthquakes by the blacklight process and hydrogen fusion / H. Yamamoto. Theoretical modeling of electron flow action on probability of nuclear fusion of deuterons / A. I. Goncharov and V. A. Kirkinskii.

Hydrogen atom distribution and hydrogen induced site depopulation for the La{sub 2-x}Mg{sub x}Ni{sub 7}-H system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guzik, Matylda N., E-mail: Matylda.Guzik@ife.no; Physics Department, Institute for Energy Technology, P.O. Box 40, NO-2027 Kjeller; Hauback, Bjorn C.

2012-02-15

La{sub 2-x}Mg{sub x}Ni{sub 7} and its hydrides/deuterides were investigated by high resolution synchrotron powder X-ray and neutron diffraction. Upon deuteration the single phase sample of the intermetallic compound with the refined composition La{sub 1.63}Mg{sub 0.37}Ni{sub 7} (space group: P6{sub 3}/mmc) expands isotropically, in contrast to the Mg free phase. The hydrogen uptake, {approx}9 D/f.u., is higher than in La{sub 2}Ni{sub 7}D{sub 6.5}. The refined composition accounts for La{sub 1.63}Mg{sub 0.37}Ni{sub 7}D{sub 8.8} (beta-phase). Rietveld refinements using the neutron and synchrotron diffraction data suggest that deuterium atoms occupy 5 different interstitial sites within both AB{sub 2} and AB{sub 5} slabs, eithermore » in an ordered or a disordered way. All determined D sites have an occupancy >50% and the shortest D-D contact is 1.96(3) A. It is supposed that a competition between the tendency to form directional bonds and repulsive D-D (H-H) interactions is the most important factor that influences the distribution of deuterium atoms in this structure. A hitherto unknown second, alpha-phase with composition La{sub 1.63}Mg{sub 0.37}Ni{sub 7}D{sub 0.56}, crystallizing with the same hexagonal symmetry as La{sub 1.63}Mg{sub 0.37}Ni{sub 7}D{sub 8.8}, has been discovered. The unit cell parameters for this D-poor phase differ slightly from those of the intermetallic. Alpha-phase displays only one D site (4f, space group: P6{sub 3}/mmc) occupied >50%, which is not populated in the D-rich beta-phase. This hydrogen/deuterium induced site depopulation can be explained by repulsive D-D (H-H) interactions that are likely to influence non-occupancy of certain interstices in metal lattice when absorbing hydrogen. - Graphical abstract: The detailed D atoms arrangement in La{sub 1.63}Mg{sub 0.37}Ni{sub 7}D{sub 8.8} differs significantly from the previously reported La{sub 1.5}Mg{sub 0.5}Ni{sub 7}D{sub 8.9(9.1)}. The present model consists of only five deuterium sites as opposed to nine proposed for La{sub 1.5}Mg{sub 0.5}Ni{sub 7}D{sub 8.9(9.1)}. The reported four remaining deuterium atom positions in La{sub 1.5}Mg{sub 0.5}Ni{sub 7}D{sub 8.9(9.1)} were not found in the investigated La{sub 1.63}Mg{sub 0.37}Ni{sub 7}D{sub 8.8}. The five Ni atoms have deuterium among their nearest neighbors, which surround them in a way similar to configurations observed in some complex transition metal hydrides and already reported for metallic hydrides. In the presented deuterium-rich phase, deformed tetrahedron, rigid trigonal pyramids as well as disordered and deformed saddle-like configuration are observed. Highlights: Black-Right-Pointing-Pointer Alpha- and beta-phase for La{sub 2-x}Mg{sub x}Ni{sub 7}-H system have been characterized. Black-Right-Pointing-Pointer Five different interstitial sites are occupied by deuterium/hydrogen atoms in the beta-phase. Black-Right-Pointing-Pointer One D/H site has been determined in the alpha-phase. Black-Right-Pointing-Pointer Deuterium/hydrogen induced site depopulation during phase transformation is observed. Black-Right-Pointing-Pointer Ni atoms tend to have tetrahedral-like D/H atom coordination.« less

Condensed Matter Nuclear Science

NASA Astrophysics Data System (ADS)

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 into characteristics of X-ray emission laser beams from solidstate cathode medium of high-current glow discharge / A. B. Karabut. Charged particles from Ti and Pd foils / L. Kowalski ... [et al.]. Cr-39 track detectors in cold fusion experiments: review and perspectives / A. S. Roussetski. Energetic particle shower in the vapor from electrolysis / R. A. Oriani and J. C. Fisher. Nuclear reactions produced in an operating electrolysis cell / R. A. Oriani and J. C. Fisher. Evidence of microscopic ball lightning in cold fusion experiments / E. H. Lewis. Neutron emission from D[symbol] gas in magnetic fields under low temperature / T. Mizuno ... [et al.]. Energetic charged particle emission from hydrogen-loaded Pd and Ti cathodes and its enhancement by He-4 implantation / A. G. Lipson ... [et al.]. H-D permeation. Observation of nuclear transmutation reactions induced by D[symbol] gas permeation through Pd complexes / Y. Iwamura ... [et al.]. Deuterium (hydrogen) flux permeating through palladium and condensed matter nuclear science / Q. M. Wei ... [et al.]. Triggering. Precursors and the fusion reactions in polarized Pd/D-D[symbol]O system: effect of an external electric field / S. Szpak, P. A. Mosier-Boss, and F. E. Gordon. Calorimetric and neutron diagnostics of liquids during laser irradiation / Yu. N. Bazhutov ... [et al.]. Anomalous neutron capture and plastic deformation of Cu and Pd cathodes during electrolysis in a weak thermalized neutron field: evidence of nuclei-lattice exchange / A. G. Lipson and G. H. Miley. H-D loading. An overview of experimental studies on H/Pd over-loading with thin Pd wires and different electrolytic solutions / A. Spallone ... [et al.] -- 3. Transmutations. Photon and particle emission, heat production, and surface transformation in Ni-H system / E. Campari ... [et al.]. Surface analysis of hydrogen-loaded nickel alloys / E. Campari ... [et al.]. Low-energy nuclear reactions and the leptonic monopole / G. Lochak and L. Urutskoev. Results of analysis of Ti foil after glow discharge with deuterium / I. B. Savvatimova and D. V. Gavritenkov. Enhancement mechanisms of low-energy nuclear reactions / F. A. Gareev, I. E. Zhidkova, and Y. L. Ratis. Co-deposition of palladium with hydrogen isotopes / J. Dash and A. Ambadkar. Variation of the concentration of isotopes copper and zinc in human plasmas of patients affected by cancer / A. Triassi. Transmutation of metal at low energy in a confined plasma in water / D. Cirillo and V. Iorio. The conditions and realization of self-similar Coulomb collapse of condensed target and low-energy laboratory nucleosynthesis / S. V. Adamenko and V. I. Vysotskii. The spatial structure of water and the problem of controlled low-energy nuclear reactions in water matrix / V. I. Vysotskii and A. A. Kornilova. Experiments on controlled decontamination of water mixture of longlived active isotopes in biological cells / V. I. Vysotskii. Assessment of the biological effects of "strange" radiation / E. A. Pryakhin ... [et al.]. Possible nuclear transmutation of nitrogen in the earth's atmosphere / M. Fukuhara. Evidences on the occurrence of LENR-type processes in alchemical transmutations / J. Pérez-Pariente. History of the discovery of transmutation at Texas A&M University / J. O.-M. Bockris -- 4. Theory. Quantum electrodynamics. Concerning the modeling of systems in terms of quantum electro dynamics: the special case of "cold fusion" / M. Abyaneh ... [et al.]. Screening. Theoretical model of the probability of fusion between deuterons within deformed lattices with microcracks at room temperature / F. Fulvio. Resonant tunnelling. Effective interaction potential in the deuterium plasma and multiple resonance scattering / T. Toimela. Multiple scattering theory and condensed matter nuclear science - "super-absorption" in a crystal latice / X. Z. Li ... [et al.]. Ion band states. Framework for understanding LENR processes, using conventional condensed matter physics / S. R. Chubb. I. Bloch ions / T. A. Chubb. II. Inhibited diffusion driven surface transmutations / T. A. Chubb. III. Bloch nuclides, Iwamura transmutations, and Oriani showers / T. A. Chubb. Bose-Einstein condensate. Theoretical study of nuclear reactions induced by Bose-Einstein condensation in Pd / K.-I. Tsuchiya and H. Okumura. Proposal for new experimental tests of the Bose-Einstein condensation mechanism for low-energy nuclear reaction and transmutation processes in deuterium loaded micro- and nano-scale cavities / Y. E. Kim ... [et al.]. Mixtures of charged bosons confined in harmonic traps and Bose-Einstein condensation mechanism for low-energy nuclear reactions and transmutation processes in condensed matters / Y. E. Kim and A. L. Zubarev. Alternative interpretation of low-energy nuclear reaction processes with deuterated metals based on the Bose-Einstein condensation mechanism / Y. E. Kim and T. O. Passell. Multi-body fusion. [symbol]He/[symbol]He production ratios by tetrahedral symmetric condensation / A. Takahashi. Phonon coupling. Phonon-exchange models: some new results / P. L. Hagelstein. Neutron clusters. Cold fusion phenomenon and solid state nuclear physics / H. Kozima. Neutrinos, magnetic monopoles. Neutrino-driven nuclear reactions of cold fusion and transmutation / V. Filimonov. Light monopoles theory: an overview of their effects in physics, chemistry, biology, and nuclear science (weak interactions) / G. Lochak. Electrons clusters and magnetic monopoles / M. Rambaut. Others. Effects of atomic electrons on nuclear stability and radioactive decay / D. V. Filippov, L. I. Urutskoev, and A. A. Rukhadze. Search for erzion nuclear catalysis chains from cosmic ray erzions stopping in organic scintillator / Yu. N. Bazhutov and E. V. Pletnikov. Low-energy nuclear reactions resulting as picometer interactions with similarity to K-shell electron capture / H. Hora ... [et al.] -- 5. Other topics. On the possible magnetic mechanism of shortening the runaway of RBMK-1000 reactor at Chernobyl Nuclear Power Plant / D. V. Filippov ... [et al.]. Cold fusion in the context of a scientific revolution in physics: history and economic ramifications / E. Lewis. The nucleovoltaic cell / D. D. Moon. Introducing the book "Cold Fusion and the Future" / J. Rothwell. Recent cold fusion claims: are they valid? / L. Kowalski. History of attempts to publish a paper / L. Kowalski.