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Sample records for automated hydride generation-cryotrapping-atomic

  1. Speciation analysis of arsenic in biological matrices by automated hydride generation-cryotrapping-atomic absorption spectrometry with multiple microflame quartz tube atomizer (multiatomizer).

    EPA Science Inventory

    This paper describes an automated system for the oxidation state specific speciation of inorganic and methylated arsenicals by selective hydride generation - cryotrapping- gas chromatography - atomic absorption spectrometry with the multiatomizer. The corresponding arsines are ge...

  2. Speciation analysis of arsenic by selective hydride generation-cryotrapping-atomic fluorescence spectrometry with flame-in-gas-shield atomizer: achieving extremely low detection limits with inexpensive instrumentation.

    PubMed

    Musil, Stanislav; Matoušek, Tomáš; Currier, Jenna M; Stýblo, Miroslav; Dědina, Jiří

    2014-10-21

    This work describes the method of a selective hydride generation-cryotrapping (HG-CT) coupled to an extremely sensitive but simple in-house assembled and designed atomic fluorescence spectrometry (AFS) instrument for determination of toxicologically important As species. Here, an advanced flame-in-gas-shield atomizer (FIGS) was interfaced to HG-CT and its performance was compared to a standard miniature diffusion flame (MDF) atomizer. A significant improvement both in sensitivity and baseline noise was found that was reflected in improved (4 times) limits of detection (LODs). The yielded LODs with the FIGS atomizer were 0.44, 0.74, 0.15, 0.17 and 0.67 ng L(-1) for arsenite, total inorganic, mono-, dimethylated As and trimethylarsine oxide, respectively. Moreover, the sensitivities with FIGS and MDF were equal for all As species, allowing for the possibility of single species standardization with arsenate standard for accurate quantification of all other As species. The accuracy of HG-CT-AFS with FIGS was verified by speciation analysis in two samples of bottled drinking water and certified reference materials, NRC CASS-5 (nearshore seawater) and SLRS-5 (river water) that contain traces of methylated As species. As speciation was in agreement with results previously reported and sums of all quantified species corresponded with the certified total As. The feasibility of HG-CT-AFS with FIGS was also demonstrated by the speciation analysis in microsamples of exfoliated bladder epithelial cells isolated from human urine. The results for the sums of trivalent and pentavalent As species corresponded well with the reference results obtained by HG-CT-ICPMS (inductively coupled plasma mass spectrometry).

  3. SPECIATION ANALYSIS OF ARSENIC IN BIOLOGICAL MATRICES BY AUTOMATED HYDRIDE GENERATION-CRYOTRAPPING-ATOMIC ABSORPTION SPECTROMETRY WITH MULTIPLE MICROFLAME QUARTZ TUBE ATOMIZER (MULTIATOMIZER)

    EPA Science Inventory

    Abstract Analyses of arsenic (As) species in tissues and body fluids of individuals chronically exposed to inorganic arsenic (iAs) provide essential information about the exposure level and pattern of iAs metabolism. We have previously described an oxidation state-specifi...

  4. Comparative oxidation state specific analysis of arsenic species by high-performance liquid chromatography-inductively coupled-mass spectrometry and hydride generation-cryotrapping-atomic absorption spectrometry

    EPA Science Inventory

    The formation of methylarsonous acid (MAsIII) and dimethylarsinous acid (DMAsIII) in the course of inorganic arsenic (iAs) metabolism plays an important role in the adverse effects of chronic exposure to iAs. High-performance liquid chromatography-inductively coupled plasma-mass ...

  5. Automated determinations of selenium in thermal power plant wastewater by sequential hydride generation and chemiluminescence detection.

    PubMed

    Ezoe, Kentaro; Ohyama, Seiichi; Hashem, Md Abul; Ohira, Shin-Ichi; Toda, Kei

    2016-02-01

    After the Fukushima disaster, power generation from nuclear power plants in Japan was completely stopped and old coal-based power plants were re-commissioned to compensate for the decrease in power generation capacity. Although coal is a relatively inexpensive fuel for power generation, it contains high levels (mgkg(-1)) of selenium, which could contaminate the wastewater from thermal power plants. In this work, an automated selenium monitoring system was developed based on sequential hydride generation and chemiluminescence detection. This method could be applied to control of wastewater contamination. In this method, selenium is vaporized as H2Se, which reacts with ozone to produce chemiluminescence. However, interference from arsenic is of concern because the ozone-induced chemiluminescence intensity of H2Se is much lower than that of AsH3. This problem was successfully addressed by vaporizing arsenic and selenium individually in a sequential procedure using a syringe pump equipped with an eight-port selection valve and hot and cold reactors. Oxidative decomposition of organoselenium compounds and pre-reduction of the selenium were performed in the hot reactor, and vapor generation of arsenic and selenium were performed separately in the cold reactor. Sample transfers between the reactors were carried out by a pneumatic air operation by switching with three-way solenoid valves. The detection limit for selenium was 0.008 mg L(-1) and calibration curve was linear up to 1.0 mg L(-1), which provided suitable performance for controlling selenium in wastewater to around the allowable limit (0.1 mg L(-1)). This system consumes few chemicals and is stable for more than a month without any maintenance. Wastewater samples from thermal power plants were collected, and data obtained by the proposed method were compared with those from batchwise water treatment followed by hydride generation-atomic fluorescence spectrometry.

  6. Automated determinations of selenium in thermal power plant wastewater by sequential hydride generation and chemiluminescence detection.

    PubMed

    Ezoe, Kentaro; Ohyama, Seiichi; Hashem, Md Abul; Ohira, Shin-Ichi; Toda, Kei

    2016-02-01

    After the Fukushima disaster, power generation from nuclear power plants in Japan was completely stopped and old coal-based power plants were re-commissioned to compensate for the decrease in power generation capacity. Although coal is a relatively inexpensive fuel for power generation, it contains high levels (mgkg(-1)) of selenium, which could contaminate the wastewater from thermal power plants. In this work, an automated selenium monitoring system was developed based on sequential hydride generation and chemiluminescence detection. This method could be applied to control of wastewater contamination. In this method, selenium is vaporized as H2Se, which reacts with ozone to produce chemiluminescence. However, interference from arsenic is of concern because the ozone-induced chemiluminescence intensity of H2Se is much lower than that of AsH3. This problem was successfully addressed by vaporizing arsenic and selenium individually in a sequential procedure using a syringe pump equipped with an eight-port selection valve and hot and cold reactors. Oxidative decomposition of organoselenium compounds and pre-reduction of the selenium were performed in the hot reactor, and vapor generation of arsenic and selenium were performed separately in the cold reactor. Sample transfers between the reactors were carried out by a pneumatic air operation by switching with three-way solenoid valves. The detection limit for selenium was 0.008 mg L(-1) and calibration curve was linear up to 1.0 mg L(-1), which provided suitable performance for controlling selenium in wastewater to around the allowable limit (0.1 mg L(-1)). This system consumes few chemicals and is stable for more than a month without any maintenance. Wastewater samples from thermal power plants were collected, and data obtained by the proposed method were compared with those from batchwise water treatment followed by hydride generation-atomic fluorescence spectrometry. PMID:26653491

  7. An automated microtechnique for selenium determination in human body fluids by flow injection hydride atomic absorption spectrometry (FI-HAAS).

    PubMed

    Negretti de Brätter, V E; Brätter, P; Tomiak, A

    1990-03-01

    The automation of a flow injection system for the hydride generation of selenium and its subsequent determination by atomic absorption spectrometry (FI-HAAS) is described. Pre-treatment of the sample and the details of the automated equipment are reviewed. For the FI-HAAS selenium analysis a volume of 350 microL of acid-digested sample solution is injected. The on-line generated hydride is delivery by the gas-liquid separator and is transported together with an Ar stream to the heated quartz cell for the atomic absorption determination. The absolute detection limit is 35 pg Se; the relative detection limit 0.10 micrograms/L Se. The absolute determination limit in real biological samples is 110 pg Se; the relative detection limit 0.31 micrograms/L Se. The accuracy of the method was evaluated via analysis of certified standard reference materials. Quality control was made by comparing FI-HAAS and instrumental neutron activation analysis (INAA), as an independent analytical method. Two acid-digestion procedures (in open vessels at atmospheric pressure and bomb-digestion in pressure vessels) were experimentally tested. To determine the effectiveness of the selenium reduction and the completeness of the selenium hydride formation a parallel selenium determination was carried out by means of ICP-AES and FI-HAAS analysis. FI-HAAS was applied for blood serum analysis of children undergoing long-term total parenteral nutrition, as well as of persons with high dietary selenium intake, and for human milk analysis. PMID:2135957

  8. Methods of analysis by the U.S. Geological Survey National Water Quality Laboratory; determination of antimony by automated-hydride atomic absorption spectrophotometry

    USGS Publications Warehouse

    Brown, G.E.; McLain, B.J.

    1994-01-01

    The analysis of natural-water samples for antimony by automated-hydride atomic absorption spectrophotometry is described. Samples are prepared for analysis by addition of potassium and hydrochloric acid followed by an autoclave digestion. After the digestion, potassium iodide and sodium borohydride are added automatically. Antimony hydride (stibine) gas is generated, then swept into a heated quartz cell for determination of antimony by atomic absorption spectrophotometry. Precision and accuracy data are presented. Results obtained on standard reference water samples agree with means established by interlaboratory studies. Spike recoveries for actual samples range from 90 to 114 percent. Replicate analyses of water samples of varying matrices give relative standard deviations from 3 to 10 percent.

  9. Hydriding process

    DOEpatents

    Raymond, J.W.; Taketani, H.

    1973-12-01

    BS>A method is described for hydriding a body of a Group IV-B metal, preferably zirconium, to produce a crack-free metal-hydride bedy of high hydrogen content by cooling the body at the beta to beta + delta boundary, without further addition of hydrogen, to precipitate a fine-grained delta-phase metal hydride in the beta + delta phase region and then resuming the hydriding, preferably preceded by a reheating step. (Official Gazette)

  10. An improved method for the determination of trace levels of arsenic and antimony in geological materials by automated hydride generation-atomic absorption spectroscopy

    USGS Publications Warehouse

    Crock, J.G.; Lichte, F.E.

    1982-01-01

    An improved, automated method for the determination of arsenic and antimony in geological materials is described. After digestion of the material in sulfuric, nitric, hydrofluoric and perchloric acids, a hydrochloric acid solution of the sample is automatically mixed with reducing agents, acidified with additional hydrochloric acid, and treated with a sodium tetrahydroborate solution to form arsine and stibine. The hydrides are decomposed in a heated quartz tube in the optical path of an atomic absorption spectrometer. The absorbance peak height for arsenic or antimony is measured. Interferences that exist are minimized to the point where most geological materials including coals, soils, coal ashes, rocks and sediments can be analyzed directly without use of standard additions. The relative standard deviation of the digestion and the instrumental procedure is less than 2% at the 50 ??g l-1 As or Sb level. The reagent-blank detection limit is 0.2 ??g l-1 As or Sb. ?? 1982.

  11. Arsenic fractionation in agricultural soil using an automated three-step sequential extraction method coupled to hydride generation-atomic fluorescence spectrometry.

    PubMed

    Rosas-Castor, J M; Portugal, L; Ferrer, L; Guzmán-Mar, J L; Hernández-Ramírez, A; Cerdà, V; Hinojosa-Reyes, L

    2015-05-18

    A fully automated modified three-step BCR flow-through sequential extraction method was developed for the fractionation of the arsenic (As) content from agricultural soil based on a multi-syringe flow injection analysis (MSFIA) system coupled to hydride generation-atomic fluorescence spectrometry (HG-AFS). Critical parameters that affect the performance of the automated system were optimized by exploiting a multivariate approach using a Doehlert design. The validation of the flow-based modified-BCR method was carried out by comparison with the conventional BCR method. Thus, the total As content was determined in the following three fractions: fraction 1 (F1), the acid-soluble or interchangeable fraction; fraction 2 (F2), the reducible fraction; and fraction 3 (F3), the oxidizable fraction. The limits of detection (LOD) were 4.0, 3.4, and 23.6 μg L(-1) for F1, F2, and F3, respectively. A wide working concentration range was obtained for the analysis of each fraction, i.e., 0.013-0.800, 0.011-0.900 and 0.079-1.400 mg L(-1) for F1, F2, and F3, respectively. The precision of the automated MSFIA-HG-AFS system, expressed as the relative standard deviation (RSD), was evaluated for a 200 μg L(-1) As standard solution, and RSD values between 5 and 8% were achieved for the three BCR fractions. The new modified three-step BCR flow-based sequential extraction method was satisfactorily applied for arsenic fractionation in real agricultural soil samples from an arsenic-contaminated mining zone to evaluate its extractability. The frequency of analysis of the proposed method was eight times higher than that of the conventional BCR method (6 vs 48 h), and the kinetics of lixiviation were established for each fraction. PMID:25910440

  12. Arsenic fractionation in agricultural soil using an automated three-step sequential extraction method coupled to hydride generation-atomic fluorescence spectrometry.

    PubMed

    Rosas-Castor, J M; Portugal, L; Ferrer, L; Guzmán-Mar, J L; Hernández-Ramírez, A; Cerdà, V; Hinojosa-Reyes, L

    2015-05-18

    A fully automated modified three-step BCR flow-through sequential extraction method was developed for the fractionation of the arsenic (As) content from agricultural soil based on a multi-syringe flow injection analysis (MSFIA) system coupled to hydride generation-atomic fluorescence spectrometry (HG-AFS). Critical parameters that affect the performance of the automated system were optimized by exploiting a multivariate approach using a Doehlert design. The validation of the flow-based modified-BCR method was carried out by comparison with the conventional BCR method. Thus, the total As content was determined in the following three fractions: fraction 1 (F1), the acid-soluble or interchangeable fraction; fraction 2 (F2), the reducible fraction; and fraction 3 (F3), the oxidizable fraction. The limits of detection (LOD) were 4.0, 3.4, and 23.6 μg L(-1) for F1, F2, and F3, respectively. A wide working concentration range was obtained for the analysis of each fraction, i.e., 0.013-0.800, 0.011-0.900 and 0.079-1.400 mg L(-1) for F1, F2, and F3, respectively. The precision of the automated MSFIA-HG-AFS system, expressed as the relative standard deviation (RSD), was evaluated for a 200 μg L(-1) As standard solution, and RSD values between 5 and 8% were achieved for the three BCR fractions. The new modified three-step BCR flow-based sequential extraction method was satisfactorily applied for arsenic fractionation in real agricultural soil samples from an arsenic-contaminated mining zone to evaluate its extractability. The frequency of analysis of the proposed method was eight times higher than that of the conventional BCR method (6 vs 48 h), and the kinetics of lixiviation were established for each fraction.

  13. Interstellar Hydrides

    NASA Astrophysics Data System (ADS)

    Gerin, Maryvonne; Neufeld, David A.; Goicoechea, Javier R.

    2016-09-01

    Interstellar hydrides—that is, molecules containing a single heavy element atom with one or more hydrogen atoms—were among the first molecules detected outside the solar system. They lie at the root of interstellar chemistry, being among the first species to form in initially atomic gas, along with molecular hydrogen and its associated ions. Because the chemical pathways leading to the formation of interstellar hydrides are relatively simple, the analysis of the observed abundances is relatively straightforward and provides key information about the environments where hydrides are found. Recent years have seen rapid progress in our understanding of interstellar hydrides, thanks largely to FIR and submillimeter observations performed with the Herschel Space Observatory. In this review, we discuss observations of interstellar hydrides, along with the advanced modeling approaches that have been used to interpret them and the unique information that has thereby been obtained.

  14. Hydride compositions

    DOEpatents

    Lee, Myung W.

    1995-01-01

    A composition for use in storing hydrogen, and a method for making the composition. The composition comprises a mixture of two or more hydrides, each hydride having a different series of hydrogen sorption isotherms that contribute to the overall isotherms of the mixture. The hydrides are chosen so that the isotherms of the mixture have regions wherein the hydrogen equilibrium pressure increases with increasing hydrogen, preferably linearly. The isotherms of the mixture can be adjusted by selecting hydrides with different isotherms and by varying the amounts of the individual hydrides, or both. Preferably, the mixture is made up of hydrides that have isotherms with substantially flat plateaus and in nearly equimolar amounts. The composition is activated by degassing, exposing to hydrogen and then heating at a temperature below the softening temperature of any of the. constituents so that their chemical and structural integrity is preserved. When the composition is used to store hydrogen, its hydrogen content can be found simply by measuring P.sub.H.sbsb.2 and determining H/M from the isothermic function of the composition.

  15. Hydride compositions

    DOEpatents

    Lee, Myung, W.

    1994-01-01

    Disclosed are a composition for use in storing hydrogen and a method for making the composition. The composition comprises a mixture of two or more hydrides, each hydride having a different series of hydrogen sorption isotherms that contribute to the overall isotherms of the mixture. The hydrides are chosen so that the isotherms of the mixture have regions wherein the H equilibrium pressure increases with increasing hydrogen, preferably linearly. The isotherms of the mixture can be adjusted by selecting hydrides with different isotherms and by varying the amounts of the individual hydrides, or both. Preferably, the mixture is made up of hydrides that have isotherms with substantially flat plateaus and in nearly equimolar amounts. The composition is activated by degassing, exposing to H, and then heating below the softening temperature of any of the constituents. When the composition is used to store hydrogen, its hydrogen content can be found simply by measuring P{sub H}{sub 2} and determining H/M from the isothermic function of the composition.

  16. Hydride compressor

    DOEpatents

    Powell, James R.; Salzano, Francis J.

    1978-01-01

    Method of producing high energy pressurized gas working fluid power from a low energy, low temperature heat source, wherein the compression energy is gained by using the low energy heat source to desorb hydrogen gas from a metal hydride bed and the desorbed hydrogen for producing power is recycled to the bed, where it is re-adsorbed, with the recycling being powered by the low energy heat source. In one embodiment, the adsorption-desorption cycle provides a chemical compressor that is powered by the low energy heat source, and the compressor is connected to a regenerative gas turbine having a high energy, high temperature heat source with the recycling being powered by the low energy heat source.

  17. Silica Embedded Metal Hydrides

    SciTech Connect

    Heung, L.K.; Wicks, G.G.

    1998-08-01

    A method to produce silica embedded metal hydride was developed. The product is a composite in which metal hydride particles are embedded in a matrix of silica. The silica matrix is highly porous. Hydrogen gas can easily reach the embedded metal hydride particles. The pores are small so that the metal hydride particles cannot leave the matrix. The porous matrix also protects the metal hydride particles from larger and reactive molecules such as oxygen, since the larger gas molecules cannot pass through the small pores easily. Tests show that granules of this composite can absorb hydrogen readily and withstand many cycles without making fines.

  18. Hysteresis in Metal Hydrides.

    ERIC Educational Resources Information Center

    Flanagan, Ted B., And Others

    1987-01-01

    This paper describes a reproducible process where the irreversibility can be readily evaluated and provides a thermodynamic description of the important phenomenon of hysteresis. A metal hydride is used because hysteresis is observed during the formation and decomposition of the hydride phase. (RH)

  19. Chemistry of intermetallic hydrides

    SciTech Connect

    Reilly, J.J.

    1991-01-01

    Certain intermetallic hydrides are safe, convenient and inexpensive hydrogen storage compounds. A particular advantage of such compounds is the ease with which their properties can be modified by small changes in alloy composition or preparation. This quality can be exploited to optimize their storage properties for particular applications, e.g. as intermetallic hydride electrodes in batteries. We will be concerned herein with the more important aspects of the thermodynamic and structural principles which regulate the behavior of intermetallic hydrogen systems and then illustrate their application using the archetype hydrides of LaNi5, FeTi and Mg alloys. The practical utility of these classes of materials will be briefly noted.

  20. Regenerative Hydride Heat Pump

    NASA Technical Reports Server (NTRS)

    Jones, Jack A.

    1992-01-01

    Hydride heat pump features regenerative heating and single circulation loop. Counterflow heat exchangers accommodate different temperatures of FeTi and LaNi4.7Al0.3 subloops. Heating scheme increases efficiency.

  1. Lightweight hydride storage materials

    SciTech Connect

    Thomas, G.J.; Guthrie, S.E.; Bauer, W.

    1995-09-01

    The need for lightweight hydrides in vehicular applications has prompted considerable research into the use of magnesium and its alloys. Although this earlier work has provided some improved performance in operating temperature and pressure, substantial improvements are needed before these materials will significantly enhance the performance of an engineered system on a vehicle. We are extending the work of previous investigators on Mg alloys to reduce the operating temperature and hydride heat of formation in light weight materials. Two important results will be discussed in this paper: (1) a promising new alloy hydride was found which has better pressure-temperature characteristics than any previous Mg alloy and, (2) a new fabrication process for existing Mg alloys was developed and demonstrated. The new alloy hydride is composed of magnesium, aluminum and nickel. It has an equilibrium hydrogen overpressure of 1.3 atm. at 200{degrees}C and a storage capacity between 3 and 4 wt.% hydrogen. A hydrogen release rate of approximately 5 x 10{sup -4} moles-H{sub 2}/gm-min was measured at 200{degrees}C. The hydride heat of formation was found to be 13.5 - 14 kcal/mole-H{sub 2}, somewhat lower than Mg{sub 2}Ni. The new fabrication method takes advantage of the high vapor transport of magnesium. It was found that Mg{sub 2}Ni produced by our low temperature process was better than conventional materials because it was single phase (no Mg phase) and could be fabricated with very small particle sizes. Hydride measurements on this material showed faster kinetic response than conventional material. The technique could potentially be applied to in-situ hydride bed fabrication with improved packing density, release kinetics, thermal properties and mechanical stability.

  2. Hydrated hydride anion clusters

    NASA Astrophysics Data System (ADS)

    Lee, Han Myoung; Kim, Dongwook; Singh, N. Jiten; Kołaski, Maciej; Kim, Kwang S.

    2007-10-01

    On the basis of density functional theory (DFT) and high level ab initio theory, we report the structures, binding energies, thermodynamic quantities, IR spectra, and electronic properties of the hydride anion hydrated by up to six water molecules. Ground state DFT molecular dynamics simulations (based on the Born-Oppenheimer potential surface) show that as the temperature increases, the surface-bound hydride anion changes to the internally bound structure. Car-Parrinello molecular dynamics simulations are also carried out for the spectral analysis of the monohydrated hydride. Excited-state ab initio molecular dynamics simulations show that the photoinduced charge-transfer-to-solvent phenomena are accompanied by the formation of the excess electron-water clusters and the detachment of the H radical from the clusters. The dynamics of the detachment process of a hydrogen radical upon the excitation is discussed.

  3. Boron hydride polymer coated substrates

    DOEpatents

    Pearson, R.K.; Bystroff, R.I.; Miller, D.E.

    1986-08-27

    A method is disclosed for coating a substrate with a uniformly smooth layer of a boron hydride polymer. The method comprises providing a reaction chamber which contains the substrate and the boron hydride plasma. A boron hydride feed stock is introduced into the chamber simultaneously with the generation of a plasma discharge within the chamber. A boron hydride plasma of ions, electrons and free radicals which is generated by the plasma discharge interacts to form a uniformly smooth boron hydride polymer which is deposited on the substrate.

  4. Boron hydride polymer coated substrates

    DOEpatents

    Pearson, Richard K.; Bystroff, Roman I.; Miller, Dale E.

    1987-01-01

    A method is disclosed for coating a substrate with a uniformly smooth layer of a boron hydride polymer. The method comprises providing a reaction chamber which contains the substrate and the boron hydride plasma. A boron hydride feed stock is introduced into the chamber simultaneously with the generation of a plasma discharge within the chamber. A boron hydride plasma of ions, electrons and free radicals which is generated by the plasma discharge interacts to form a uniformly smooth boron hydride polymer which is deposited on the substrate.

  5. Hydrogen Outgassing from Lithium Hydride

    SciTech Connect

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

    2006-04-20

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

  6. Method for preparing porous metal hydride compacts

    DOEpatents

    Ron, Moshe; Gruen, Dieter M.; Mendelsohn, Marshall H.; Sheft, Irving

    1981-01-01

    A method for preparing porous metallic-matrix hydride compacts which can be repeatedly hydrided and dehydrided without disintegration. A mixture of a finely divided metal hydride and a finely divided matrix metal is contacted with a poison which prevents the metal hydride from dehydriding at room temperature and atmospheric pressure. The mixture of matrix metal and poisoned metal hydride is then compacted under pressure at room temperature to form porous metallic-matrix hydride compacts.

  7. Method for preparing porous metal hydride compacts

    DOEpatents

    Ron, M.; Gruen, D.M.; Mendelsohn, M.H.; Sheft, I.

    1980-01-21

    A method for preparing porous metallic-matrix hydride compacts which can be repeatedly hydrided and dehydrided without disintegration. A mixture of a finely divided metal hydride and a finely divided matrix metal is contacted with a poison which prevents the metal hydride from dehydriding at room temperature and atmospheric pressure. The mixture of matrix metal and poisoned metal hydride is then compacted under pressure at room temperature to form porous metallic-matrix hydride compacts.

  8. 17. VIEW OF HYDRIDING SYSTEM IN BUILDING 881. THE HYDRIDING ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    17. VIEW OF HYDRIDING SYSTEM IN BUILDING 881. THE HYDRIDING SYSTEM WAS PART OF THE FAST ENRICHED URANIUM RECOVERY PROCESS. (11/11/59) - Rocky Flats Plant, General Manufacturing, Support, Records-Central Computing, Southern portion of Plant, Golden, Jefferson County, CO

  9. Dimensionally stable metallic hydride composition

    DOEpatents

    Heung, Leung K.

    1994-01-01

    A stable, metallic hydride composition and a process for making such a composition. The composition comprises a uniformly blended mixture of a metal hydride, kieselguhr, and a ballast metal, all in the form of particles. The composition is made by subjecting a metal hydride to one or more hydrogen absorption/desorption cycles to disintegrate the hydride particles to less than approximately 100 microns in size. The particles are partly oxidized, then blended with the ballast metal and the kieselguhr to form a uniform mixture. The mixture is compressed into pellets and calcined. Preferably, the mixture includes approximately 10 vol. % or more kieselguhr and approximately 50 vol. % or more ballast. Metal hydrides that can be used in the composition include Zr, Ti, V, Nb, Pd, as well as binary, tertiary, and more complex alloys of La, Al, Cu, Ti, Co, Ni, Fe, Zr, Mg, Ca, Mn, and mixtures and other combinations thereof. Ballast metals include Al, Cu and Ni.

  10. Development of metal hydride composites

    SciTech Connect

    Congdon, J.W.

    1992-12-01

    Most of current hydride technology at Savannah River Site is based on beds of metal hydride powders; the expansion upon hydridation and the cycling results in continued breakdown into finer particles. Goal is to develop a composite which will contain the fines in a dimensionally stable matrix, for use in processes which require a stable gas flow through a hydride bed. Metal hydride composites would benefit the advanced Thermal Cycling Absorption process (hydrogen isotope separation), and the Replacement Tritium Facility (storage, pumping, compression, purification of hydrogen isotopes). These composites were fabricated by cold compaction of a mixture of metal hydride granules and coarse copper powder; the porosity in the granules was introduced by means of ammonium carbonate. The composite pellets were cycled 138 times in hydrogen with the loss of LANA0.75 (LaNi{sub 4.25}Al{sub 0.75}) limited to the surface. Vacuum sintering can provide additional strength at the edges. Without a coating, the metal hydride particles exposed at the pellet surface can be removed by cycling several times in hydrogen.

  11. Erbium hydride decomposition kinetics.

    SciTech Connect

    Ferrizz, Robert Matthew

    2006-11-01

    Thermal desorption spectroscopy (TDS) is used to study the decomposition kinetics of erbium hydride thin films. The TDS results presented in this report are analyzed quantitatively using Redhead's method to yield kinetic parameters (E{sub A} {approx} 54.2 kcal/mol), which are then utilized to predict hydrogen outgassing in vacuum for a variety of thermal treatments. Interestingly, it was found that the activation energy for desorption can vary by more than 7 kcal/mol (0.30 eV) for seemingly similar samples. In addition, small amounts of less-stable hydrogen were observed for all erbium dihydride films. A detailed explanation of several approaches for analyzing thermal desorption spectra to obtain kinetic information is included as an appendix.

  12. Complex Hydrides for Hydrogen Storage

    SciTech Connect

    Slattery, Darlene; Hampton, Michael

    2003-03-10

    This report describes research into the use of complex hydrides for hydrogen storage. The synthesis of a number of alanates, (AIH4) compounds, was investigated. Both wet chemical and mechano-chemical methods were studied.

  13. Hydride development for hydrogen storage

    SciTech Connect

    Thomas, G.J.; Guthrie, S.E.; Bauer, W.; Yang, N.Y.C.; Sandrock, G.

    1996-10-01

    The purpose of this project is to develop and demonstrate improved hydride materials for hydrogen storage. The work currently is organized into four tasks: hydride development, bed fabrication, materials support for engineering systems, and IEA Annex 12 activities. At the present time, hydride development is focused on Mg alloys. These materials generally have higher weight densities for storing hydrogen than rare earth or transition metal alloys, but suffer from high operating temperatures, slow kinetic behavior and material stability. The authors approach is to study bulk alloy additions which increase equilibrium overpressure, in combination with stable surface alloy modification and particle size control to improve kinetic properties. This work attempts to build on the considerable previous research in this area, but examines specific alloy systems in greater detail, with attention to known phase properties and structures. The authors have found that specific phases can be produced which have significantly improved hydride properties compared to previous studies.

  14. Low density metal hydride foams

    DOEpatents

    Maienschein, Jon L.; Barry, Patrick E.

    1991-01-01

    Disclosed is a low density foam having a porosity of from 0 to 98% and a density less than about 0.67 gm/cc, prepared by heating a mixture of powered lithium hydride and beryllium hydride in an inert atmosphere at a temperature ranging from about 455 to about 490 K for a period of time sufficient to cause foaming of said mixture, and cooling the foam thus produced. Also disclosed is the process of making the foam.

  15. Physics of hydride fueled PWR

    NASA Astrophysics Data System (ADS)

    Ganda, Francesco

    The first part of the work presents the neutronic results of a detailed and comprehensive study of the feasibility of using hydride fuel in pressurized water reactors (PWR). The primary hydride fuel examined is U-ZrH1.6 having 45w/o uranium: two acceptable design approaches were identified: (1) use of erbium as a burnable poison; (2) replacement of a fraction of the ZrH1.6 by thorium hydride along with addition of some IFBA. The replacement of 25 v/o of ZrH 1.6 by ThH2 along with use of IFBA was identified as the preferred design approach as it gives a slight cycle length gain whereas use of erbium burnable poison results in a cycle length penalty. The feasibility of a single recycling plutonium in PWR in the form of U-PuH2-ZrH1.6 has also been assessed. This fuel was found superior to MOX in terms of the TRU fractional transmutation---53% for U-PuH2-ZrH1.6 versus 29% for MOX---and proliferation resistance. A thorough investigation of physics characteristics of hydride fuels has been performed to understand the reasons of the trends in the reactivity coefficients. The second part of this work assessed the feasibility of multi-recycling plutonium in PWR using hydride fuel. It was found that the fertile-free hydride fuel PuH2-ZrH1.6, enables multi-recycling of Pu in PWR an unlimited number of times. This unique feature of hydride fuels is due to the incorporation of a significant fraction of the hydrogen moderator in the fuel, thereby mitigating the effect of spectrum hardening due to coolant voiding accidents. An equivalent oxide fuel PuO2-ZrO2 was investigated as well and found to enable up to 10 recycles. The feasibility of recycling Pu and all the TRU using hydride fuels were investigated as well. It was found that hydride fuels allow recycling of Pu+Np at least 6 times. If it was desired to recycle all the TRU in PWR using hydrides, the number of possible recycles is limited to 3; the limit is imposed by positive large void reactivity feedback.

  16. Bulk Hydrides and Delayed Hydride Cracking in Zirconium Alloys

    NASA Astrophysics Data System (ADS)

    Tulk, Eric F.

    Zirconium alloys are susceptible to engineering problems associated with the uptake of hydrogen throughout their design lifetime in nuclear reactors. Understanding of hydrogen embrittlement associated with the precipitation of brittle hydride phases and a sub-critical crack growth mechanism known as Delayed Hydride Cracking (DHC) is required to provide the engineering justifications for safe reactor operation. The nature of bulk zirconium hydrides at low concentrations (< 100 wt. ppm) is subject to several contradictory descriptions in the literature associated with the stability and metastability of gamma-phase zirconium hydride. Due to the differing volume expansions (12-17%) and crystallography between gamma and delta hydride phases, it is suggested that the matrix yield strength may have an effect on the phase stability. The present work indicated that although yield strength can shift the phase stability, other factors such as microstructure and phase distribution can be as or more important. This suggests that small material differences are the reason for the literature discrepancies. DHC is characterised by the repeated precipitation, growth, fracture of brittle hydride phases and subsequent crack arrest in the ductile metal. DHC growth is associated primarily the ability of hydrogen to diffuse under a stress induced chemical potential towards a stress raiser. Knowledge of the factors controlling DHC are paramount in being able to appropriately describe DHC for engineering purposes. Most studies characterise DHC upon cooling to the test temperature. DHC upon heating has not been extensively studied and the mechanism by which it occurs is somewhat controversial in the literature. This work shows that previous thermo-mechanical processing of hydrided zirconium can have a significant effect on the dissolution behaviour of the bulk hydride upon heating. DHC tests with gamma-quenched, furnace cooled-delta and reoriented bulk hydrides upon heating and DHC upon

  17. Photochemistry of Transition Metal Hydrides.

    PubMed

    Perutz, Robin N; Procacci, Barbara

    2016-08-10

    Photochemical reactivity associated with metal-hydrogen bonds is widespread among metal hydride complexes and has played a critical part in opening up C-H bond activation. It has been exploited to design different types of photocatalytic reactions and to obtain NMR spectra of dilute solutions with a single pulse of an NMR spectrometer. Because photolysis can be performed on fast time scales and at low temperature, metal-hydride photochemistry has enabled determination of the molecular structure and rates of reaction of highly reactive intermediates. We identify five characteristic photoprocesses of metal monohydride complexes associated with the M-H bond, of which the most widespread are M-H homolysis and R-H reductive elimination. For metal dihydride complexes, the dominant photoprocess is reductive elimination of H2. Dihydrogen complexes typically lose H2 photochemically. The majority of photochemical reactions are likely to be dissociative, but hydride complexes may be designed with equilibrated excited states that undergo different photochemical reactions, including proton transfer or hydride transfer. The photochemical mechanisms of a few reactions have been analyzed by computational methods, including quantum dynamics. A section on specialist methods (time-resolved spectroscopy, matrix isolation, NMR, and computational methods) and a survey of transition metal hydride photochemistry organized by transition metal group complete the Review.

  18. Method of producing a chemical hydride

    DOEpatents

    Klingler, Kerry M.; Zollinger, William T.; Wilding, Bruce M.; Bingham, Dennis N.; Wendt, Kraig M.

    2007-11-13

    A method of producing a chemical hydride is described and which includes selecting a composition having chemical bonds and which is capable of forming a chemical hydride; providing a source of a hydrocarbon; and reacting the composition with the source of the hydrocarbon to generate a chemical hydride.

  19. Hydrogen, lithium, and lithium hydride production

    DOEpatents

    Brown, Sam W; Spencer, Larry S; Phillips, Michael R; Powell, G. Louis; Campbell, Peggy J

    2014-03-25

    A method of producing high purity lithium metal is provided, where gaseous-phase lithium metal is extracted from lithium hydride and condensed to form solid high purity lithium metal. The high purity lithium metal may be hydrided to provide high purity lithium hydride.

  20. Vanadium hydride deuterium-tritium generator

    DOEpatents

    Christensen, Leslie D.

    1982-01-01

    A pressure controlled vanadium hydride gas generator to provide deuterium-tritium gas in a series of pressure increments. A high pressure chamber filled with vanadium-deuterium-tritium hydride is surrounded by a heater which controls the hydride temperature. The heater is actuated by a power controller which responds to the difference signal between the actual pressure signal and a programmed pressure signal.

  1. Characterization of hydrides and delayed hydride cracking in zirconium alloys

    NASA Astrophysics Data System (ADS)

    Fang, Qiang

    This thesis tries to fill some of the missing gaps in the study of zirconium hydrides with state-of-art experiments, cutting edge tomographical technique, and a novel numerical algorithm. A new hydriding procedure is proposed. The new anode material and solution combination overcomes many drawbacks of the AECLRTM hydriding method and leads to superior hydriding result compared to the AECL RTM hydriding procedure. The DHC crack growth velocity of as-received Excel alloy and Zr-2.5Nb alloy together with several different heat treated Excel alloy samples are measured. While it already known that the DHC crack growth velocity increases with the increase of base metal strength, the finding that the transverse plane is the weaker plane for fatigue crack growth despite having higher resistance to DHC crack growth was unexpected. The morphologies of hydrides in a coarse grained Zircally-2 sample have been studied using synchrotron x-rays at ESRF with a new technique called Diffraction Contrast Tomography that uses simultaneous collection of tomographic data and diffraction data to determine the crystallographic orientation of crystallites (grains) in 3D. It has been previously limited to light metals such as Al or Mg (due to the use of low energy x-rays). Here we show the first DCT measurements using high energy x-rays (60 keV), allowing measurements in zirconium. A new algorithm of a computationally effcient way to characterize distributions of hydrides - in particular their orientation and/or connectivity - has been proposed. It is a modification of the standard Hough transform, which is an extension of the Hough transform widely used in the line detection of EBSD patterns. Finally, a basic model of hydrogen migration is built using ABAQUS RTM, which is a mature finite element package with tested modeling modules of a variety of physical laws. The coupling of hydrogen diffusion, lattice expansion, matrix deformation and phase transformation is investigated under

  2. Properties of nanoscale metal hydrides.

    PubMed

    Fichtner, Maximilian

    2009-05-20

    Nanoscale hydride particles may exhibit chemical stabilities which differ from those of a macroscopic system. The stabilities are mainly influenced by a surface energy term which contains size-dependent values of the surface tension, the molar volume and an additional term which takes into account a potential reduction of the excess surface energy. Thus, the equilibrium of a nanoparticular hydride system may be shifted to the hydrogenated or to the dehydrogenated side, depending on the size and on the prefix of the surface energy term of the hydrogenated and dehydrogenated material. Additional complexity appears when solid-state reactions of complex hydrides are considered and phase segregation has to be taken into account. In such a case the reversibility of complex hydrides may be reduced if the nanoparticles are free standing on a surface. However, it may be enhanced if the system is enclosed by a nanoscale void which prevents the reaction partners on the dehydrogenated side from diffusing away from each other. Moreover, the generally enhanced diffusivity in nanocrystalline systems may lower the kinetic barriers for the material's transformation and, thus, facilitate hydrogen absorption and desorption. PMID:19420657

  3. Bipolar Nickel-Metal Hydride Battery Development Project

    NASA Technical Reports Server (NTRS)

    Cole, John H.

    1999-01-01

    This paper reviews the development of the Electro Energy, Inc.'s bipolar nickel metal hydride battery. The advantages of the design are that each cell is individually sealed, and that there are no external cell terminals, no electrode current collectors, it is compatible with plastic bonded electrodes, adaptable to heat transfer fins, scalable to large area, capacity and high voltage. The design will allow for automated flexible manufacturing, improved energy and power density and lower cost. The development and testing of the battery's component are described. Graphic presentation of the results of many of the tests are included.

  4. Microstructure of surface cerium hydride growth sites

    SciTech Connect

    Brierley, Martin; Knowles, John; Montgomery, Neil; Preuss, Michael

    2014-05-15

    Samples of cerium were exposed to hydrogen under controlled conditions causing cerium hydride sites to nucleate and grow on the surface. The hydriding rate was measured in situ, and the hydrides were characterised using secondary ion mass spectrometry, scanning electron microscopy, and optical microscopy. The results show that the hydriding rate proceeded more quickly than earlier studies. Characterisation confirmed that the hydrogen is confined to the sites. The morphology of the hydrides was confirmed to be oblate, and stressed material was observed surrounding the hydride, in a number of cases lathlike features were observed surrounding the hydride sites laterally with cracking in the surface oxide above them. It is proposed that during growth the increased lattice parameter of the CeH{sub 2} induces a lateral compressive stress around the hydride, which relieves by the ca. 16% volume collapse of the γ-Ce to α-Ce pressure induced phase transition. Cracking of the surface oxide above the laths reduces the diffusion barrier to hydrogen reaching the metal/oxide interface surrounding the hydride site and contributes to the anisotropic growth of the hydrides.

  5. Rechargeable metal hydrides for spacecraft application

    NASA Technical Reports Server (NTRS)

    Perry, J. L.

    1988-01-01

    Storing hydrogen on board the Space Station presents both safety and logistics problems. Conventional storage using pressurized bottles requires large masses, pressures, and volumes to handle the hydrogen to be used in experiments in the U.S. Laboratory Module and residual hydrogen generated by the ECLSS. Rechargeable metal hydrides may be competitive with conventional storage techniques. The basic theory of hydride behavior is presented and the engineering properties of LaNi5 are discussed to gain a clear understanding of the potential of metal hydrides for handling spacecraft hydrogen resources. Applications to Space Station and the safety of metal hydrides are presented and compared to conventional hydride storage. This comparison indicates that metal hydrides may be safer and require lower pressures, less volume, and less mass to store an equivalent mass of hydrogen.

  6. Metal hydride composition and method of making

    DOEpatents

    Congdon, James W.

    1995-01-01

    A dimensionally stable hydride composition and a method for making such a composition. The composition is made by forming particles of a metal hydride into porous granules, mixing the granules with a matrix material, forming the mixture into pellets, and sintering the pellets in the absence of oxygen. The ratio of matrix material to hydride is preferably between approximately 2:1 and 4:1 by volume. The porous structure of the granules accommodates the expansion that occurs when the metal hydride particles absorb hydrogen. The porous matrix allows the flow of hydrogen therethrough to contact the hydride particles, yet supports the granules and contains the hydride fines that result from repeated absorption/desorption cycles.

  7. Complex hydrides for hydrogen storage

    DOEpatents

    Zidan, Ragaiy

    2006-08-22

    A hydrogen storage material and process of forming the material is provided in which complex hydrides are combined under conditions of elevated temperatures and/or elevated temperature and pressure with a titanium metal such as titanium butoxide. The resulting fused product exhibits hydrogen desorption kinetics having a first hydrogen release point which occurs at normal atmospheres and at a temperature between 50.degree. C. and 90.degree. C.

  8. Ten degree Kelvin hydride refrigerator

    NASA Technical Reports Server (NTRS)

    Jones, Jack A. (Inventor)

    1987-01-01

    A compact hydride absorption refrigeration system with few moving parts for 10 Kelvin operation is disclosed and comprises liquid hydrogen producing means in combination with means for solidifying and subliming the liquid hydrogen produced. The liquid hydrogen is sublimed at about 10 Kelvin. By using a symmetrical all hydrogen redundant loop system, a 10 Kelvin refrigeration system can be operated for many years with only a fraction of the power required for prior art systems.

  9. Hydrogen /Hydride/-air secondary battery

    NASA Technical Reports Server (NTRS)

    Sarradin, J.; Bronoel, G.; Percheron-Guegan, A.; Achard, J. C.

    1979-01-01

    The use of metal hydrides as negative electrodes in a hydrogen-air secondary battery seems promising. However, in an unpressurized cell, more stable hydrides that LaNi5H6 must be selected. Partial substitutions of nickel by aluminium or manganese increase the stability of hydrides. Combined with an air reversible electrode, a specific energy close to 100 Wh/kg can be expected.

  10. Inhibited solid propellant composition containing beryllium hydride

    NASA Technical Reports Server (NTRS)

    Thompson, W. W. (Inventor)

    1978-01-01

    An object of this invention is to provide a composition of beryllium hydride and carboxy-terminated polybutadiene which is stable. Another object of this invention is to provide a method for inhibiting the reactivity of beryllium hydride toward carboxy-terminated polybutadiene. It was found that a small amount of lecithin inhibits the reaction of beryllium hydride with the acid groups in carboxy terminated polybutadiene.

  11. Vanadium hydride deuterium-tritium generator

    DOEpatents

    Christensen, L.D.

    1980-03-13

    A pressure controlled vanadium hydride gas generator was designed to provide deuterium-tritium gas in a series of pressure increments. A high pressure chamber filled with vanadium-deuterium-tritium hydride is surrounded by a heater which controls the hydride temperature. The heater is actuated by a power controller which responds to the difference signal between the actual pressure signal and a programmed pressure signal.

  12. Multi-stage hydride-hydrogen compressor

    NASA Astrophysics Data System (ADS)

    Golben, P. M.

    A 4-stage metal hydride/hydrogen compressor that uses low temperature hot water (75 C) as its energy source has been built and tested. The compressor utilizes a new hydride heat exchanger technique that has achieved fast cycling time (with 20 C cooling water) on the order of 1 min. This refinement substantially decreases the size, weight and cost of the unit when compared to previous hydride compressors or even conventional mechanical diaphragm compressors.

  13. Thermodynamic Hydricity of Transition Metal Hydrides.

    PubMed

    Wiedner, Eric S; Chambers, Matthew B; Pitman, Catherine L; Bullock, R Morris; Miller, Alexander J M; Appel, Aaron M

    2016-08-10

    Transition metal hydrides play a critical role in stoichiometric and catalytic transformations. Knowledge of free energies for cleaving metal hydride bonds enables the prediction of chemical reactivity, such as for the bond-forming and bond-breaking events that occur in a catalytic reaction. Thermodynamic hydricity is the free energy required to cleave an M-H bond to generate a hydride ion (H(-)). Three primary methods have been developed for hydricity determination: the hydride transfer method establishes hydride transfer equilibrium with a hydride donor/acceptor pair of known hydricity, the H2 heterolysis method involves measuring the equilibrium of heterolytic cleavage of H2 in the presence of a base, and the potential-pKa method considers stepwise transfer of a proton and two electrons to give a net hydride transfer. Using these methods, over 100 thermodynamic hydricity values for transition metal hydrides have been determined in acetonitrile or water. In acetonitrile, the hydricity of metal hydrides spans a range of more than 50 kcal/mol. Methods for using hydricity values to predict chemical reactivity are also discussed, including organic transformations, the reduction of CO2, and the production and oxidation of hydrogen. PMID:27483171

  14. Fundamental experiments on hydride reorientation in zircaloy

    NASA Astrophysics Data System (ADS)

    Colas, Kimberly B.

    In the current study, an in-situ X-ray diffraction technique using synchrotron radiation was used to follow directly the kinetics of hydride dissolution and precipitation during thermomechanical cycles. This technique was combined with conventional microscopy (optical, SEM and TEM) to gain an overall understanding of the process of hydride reorientation. Thus this part of the study emphasized the time-dependent nature of the process, studying large volume of hydrides in the material. In addition, a micro-diffraction technique was also used to study the spatial distribution of hydrides near stress concentrations. This part of the study emphasized the spatial variation of hydride characteristics such as strain and morphology. Hydrided samples in the shape of tensile dog-bones were used in the time-dependent part of the study. Compact tension specimens were used during the spatial dependence part of the study. The hydride elastic strains from peak shift and size and strain broadening were studied as a function of time for precipitating hydrides. The hydrides precipitate in a very compressed state of stress, as measured by the shift in lattice spacing. As precipitation proceeds the average shift decreases, indicating average stress is reduced, likely due to plastic deformation and morphology changes. When nucleation ends the hydrides follow the zirconium matrix thermal contraction. When stress is applied below the threshold stress for reorientation, hydrides first nucleate in a very compressed state similar to that of unstressed hydrides. After reducing the average strain similarly to unstressed hydrides, the average hydride strain reaches a constant value during cool-down to room temperature. This could be due to a greater ease of deforming the matrix due to the applied far-field strain which would compensate for the strains due to thermal contraction. Finally when hydrides reorient, the average hydride strains become tensile during the first precipitation regime and

  15. Erbium hydride thermal desorption : controlling kinetics.

    SciTech Connect

    Ferrizz, Robert Matthew

    2007-08-01

    Thermal desorption spectroscopy (TDS) is used to study the decomposition kinetics of erbium hydride thin films. The TDS results presented in this report show that hydride film processing parameters directly impact thermal stability. Issues to be addressed include desorption kinetics for dihydrides and trihydrides, and the effect of film growth parameters, loading parameters, and substrate selection on desorption kinetics.

  16. Zirconium hydride containing explosive composition

    DOEpatents

    Walker, Franklin E.; Wasley, Richard J.

    1981-01-01

    An improved explosive composition is disclosed and comprises a major portion of an explosive having a detonation velocity between about 1500 and 10,000 meters per second and a minor amount of a donor additive comprising a non-explosive compound or mixture of non-explosive compounds which when subjected to an energy fluence of 1000 calories/cm.sup.2 or less is capable of releasing free radicals each having a molecular weight between 1 and 120. Exemplary donor additives are dibasic acids, polyamines and metal hydrides.

  17. Direct synthesis of catalyzed hydride compounds

    DOEpatents

    Gross, Karl J.; Majzoub, Eric

    2004-09-21

    A method is disclosed for directly preparing alkali metal aluminum hydrides such as NaAlH.sub.4 and Na.sub.3 AlH.sub.6 from either the alkali metal or its hydride, and aluminum. The hydride thus prepared is doped with a small portion of a transition metal catalyst compound, such as TiCl.sub.3, TiF.sub.3, or a mixture of these materials, in order to render them reversibly hydridable. The process provides for mechanically mixing the dry reagents under an inert atmosphere followed by charging the mixed materials with high pressure hydrogen while heating the mixture to about 125.degree. C. The method is relatively simple and inexpensive and provides reversible hydride compounds which are free of the usual contamination introduced by prior art wet chemical methods.

  18. Hydrogen-storing hydride complexes

    DOEpatents

    Srinivasan, Sesha S.; Niemann, Michael U.; Goswami, D. Yogi; Stefanakos, Elias K.

    2012-04-10

    A ternary hydrogen storage system having a constant stoichiometric molar ratio of LiNH.sub.2:MgH.sub.2:LiBH.sub.4 of 2:1:1. It was found that the incorporation of MgH.sub.2 particles of approximately 10 nm to 20 nm exhibit a lower initial hydrogen release temperature of 150.degree. C. Furthermore, it is observed that the particle size of LiBNH quaternary hydride has a significant effect on the hydrogen sorption concentration with an optimum size of 28 nm. The as-synthesized hydrides exhibit two main hydrogen release temperatures, one around 160.degree. C. and the other around 300.degree. C., with the main hydrogen release temperature reduced from 310.degree. C. to 270.degree. C., while hydrogen is first reversibly released at temperatures as low as 150.degree. C. with a total hydrogen capacity of 6 wt. % to 8 wt. %. Detailed thermal, capacity, structural and microstructural properties have been demonstrated and correlated with the activation energies of these materials.

  19. Activated aluminum hydride hydrogen storage compositions and uses thereof

    DOEpatents

    Sandrock, Gary; Reilly, James; Graetz, Jason; Wegrzyn, James E.

    2010-11-23

    In one aspect, the invention relates to activated aluminum hydride hydrogen storage compositions containing aluminum hydride in the presence of, or absence of, hydrogen desorption stimulants. The invention particularly relates to such compositions having one or more hydrogen desorption stimulants selected from metal hydrides and metal aluminum hydrides. In another aspect, the invention relates to methods for generating hydrogen from such hydrogen storage compositions.

  20. Cyclopentadiene-mediated hydride transfer from rhodium complexes.

    PubMed

    Pitman, C L; Finster, O N L; Miller, A J M

    2016-07-12

    Attempts to generate a proposed rhodium hydride catalytic intermediate instead resulted in isolation of (Cp*H)Rh(bpy)Cl (1), a pentamethylcyclopentadiene complex, formed by C-H bond-forming reductive elimination from the fleeting rhodium hydride. The hydride transfer ability of diene 1 was explored through thermochemistry and hydride transfer reactions, including the reduction of NAD(+). PMID:26949917

  1. Liquid suspensions of reversible metal hydrides

    DOEpatents

    Reilly, J.J.; Grohse, E.W.; Winsche, W.E.

    1983-12-08

    The reversibility of the process M + x/2 H/sub 2/ ..-->.. MH/sub x/, where M is a metal hydride former that forms a hydride MH/sub x/ in the presence of H/sub 2/, generally used to store and recall H/sub 2/, is found to proceed under a liquid, thereby to reduce contamination, provide better temperature control and provide in situ mobility of the reactants. Thus, a slurry of particles of a metal hydride former with an inert solvent is subjected to temperature and pressure controlled atmosphere containing H/sub 2/, to store hydrogen (at high pressures) and to release (at low pressures) previously stored hydrogen. The direction of the flow of the H/sub 2/ through the liquid is dependent upon the H/sub 2/ pressure in the gas phase at a given temperature. When the former is above the equilibrium absorption pressure of the respective hydride the reaction proceeds to the right, i.e., the metal hydride is formed and hydrogen is stored in the solid particle. When the H/sub 2/ pressure in the gas phase is below the equilibrium dissociation pressure of the respective hydride the reaction proceeds to the left, the metal hydride is decomposed and hydrogen is released into the gas phase.

  2. Hydride heat pump with heat regenerator

    NASA Technical Reports Server (NTRS)

    Jones, Jack A. (Inventor)

    1991-01-01

    A regenerative hydride heat pump process and system is provided which can regenerate a high percentage of the sensible heat of the system. A series of at least four canisters containing a lower temperature performing hydride and a series of at least four canisters containing a higher temperature performing hydride is provided. Each canister contains a heat conductive passageway through which a heat transfer fluid is circulated so that sensible heat is regenerated. The process and system are useful for air conditioning rooms, providing room heat in the winter or for hot water heating throughout the year, and, in general, for pumping heat from a lower temperature to a higher temperature.

  3. Formation and superconductivity of hydrides under pressure

    NASA Astrophysics Data System (ADS)

    Kim, Duck Young; Scheicher, Ralph H.; Pickard, Chris J.; Needs, Richard J.; Ahuja, Rajeev

    2011-03-01

    Hydrogen is the lightest and smallest element in the periodic table. Despite its simplest electronic structure, enormous complexity can arise when hydrogen participates in the formation of solids. Pressure as a controllable parameter can provide an excellent platform to investigate novel physics of hydrides because it can induce structural transformation and even changes in stoichiometry accompanied with phenomena such as metallization and superconductivity. In this presentation, we will briefly overview contemporary high-pressure research on hydrides and show our most recent results on predicting crystal structures of metal hydrides under pressure using ab initio random structure searching. Our findings allow for a better understanding of pressure-induced metallization/superconductivity in hydrides which can help to shed light on recent observations of pressure-induced metallization and superconductivity in hydrogen-rich materials. Wenner-Gren Foundations and VR in Sweden, The Royal Society in UK.

  4. Sealed aerospace metal-hydride batteries

    NASA Technical Reports Server (NTRS)

    Coates, Dwaine

    1992-01-01

    Nickel metal hydride and silver metal hydride batteries are being developed for aerospace applications. There is a growing market for smaller, lower cost satellites which require higher energy density power sources than aerospace nickel-cadmium at a lower cost than space nickel-hydrogen. These include small LEO satellites, tactical military satellites and satellite constellation programs such as Iridium and Brilliant Pebbles. Small satellites typically do not have the spacecraft volume or the budget required for nickel-hydrogen batteries. NiCd's do not have adequate energy density as well as other problems such as overcharge capability and memory effort. Metal hydride batteries provide the ideal solution for these applications. Metal hydride batteries offer a number of advantages over other aerospace battery systems.

  5. Method of forming metal hydride films

    NASA Technical Reports Server (NTRS)

    Steinberg, R.; Alger, D. L.; Cooper, D. W. (Inventor)

    1977-01-01

    The substrate to be coated (which may be of metal, glass or the like) is cleaned, both chemically and by off-sputtering in a vacuum chamber. In an ultra-high vacuum system, vapor deposition by a sublimator or vaporizer coats a cooled shroud disposed around the substrate with a thin film of hydride forming metal which getters any contaminant gas molecules. A shutter is then opened to allow hydride forming metal to be deposited as a film or coating on the substrate. After the hydride forming metal coating is formed, deuterium or other hydrogen isotopes are bled into the vacuum system and diffused into the metal film or coating to form a hydride of metal film. Higher substrate temperatures and pressures may be used if various parameters are appropriately adjusted.

  6. A classical but new kinetic equation for hydride transfer reactions.

    PubMed

    Zhu, Xiao-Qing; Deng, Fei-Huang; Yang, Jin-Dong; Li, Xiu-Tao; Chen, Qiang; Lei, Nan-Ping; Meng, Fan-Kun; Zhao, Xiao-Peng; Han, Su-Hui; Hao, Er-Jun; Mu, Yuan-Yuan

    2013-09-28

    A classical but new kinetic equation to estimate activation energies of various hydride transfer reactions was developed according to transition state theory using the Morse-type free energy curves of hydride donors to release a hydride anion and hydride acceptors to capture a hydride anion and by which the activation energies of 187 typical hydride self-exchange reactions and more than thirty thousand hydride cross transfer reactions in acetonitrile were safely estimated in this work. Since the development of the kinetic equation is only on the basis of the related chemical bond changes of the hydride transfer reactants, the kinetic equation should be also suitable for proton transfer reactions, hydrogen atom transfer reactions and all the other chemical reactions involved with breaking and formation of chemical bonds. One of the most important contributions of this work is to have achieved the perfect unity of the kinetic equation and thermodynamic equation for hydride transfer reactions.

  7. Metastable Metal Hydrides for Hydrogen Storage

    DOE PAGES

    Graetz, Jason

    2012-01-01

    The possibility of using hydrogen as a reliable energy carrier for both stationary and mobile applications has gained renewed interest in recent years due to improvements in high temperature fuel cells and a reduction in hydrogen production costs. However, a number of challenges remain and new media are needed that are capable of safely storing hydrogen with high gravimetric and volumetric densities. Metal hydrides and complex metal hydrides offer some hope of overcoming these challenges; however, many of the high capacity “reversible” hydrides exhibit a large endothermic decomposition enthalpy making it difficult to release the hydrogen at low temperatures. Onmore » the other hand, the metastable hydrides are characterized by a low reaction enthalpy and a decomposition reaction that is thermodynamically favorable under ambient conditions. The rapid, low temperature hydrogen evolution rates that can be achieved with these materials offer much promise for mobile PEM fuel cell applications. However, a critical challenge exists to develop new methods to regenerate these hydrides directly from the reactants and hydrogen gas. This spotlight paper presents an overview of some of the metastable metal hydrides for hydrogen storage and a few new approaches being investigated to address the key challenges associated with these materials.« less

  8. Thin-film metal hydrides.

    PubMed

    Remhof, Arndt; Borgschulte, Andreas

    2008-12-01

    The goal of the medieval alchemist, the chemical transformation of common metals into nobel metals, will forever be a dream. However, key characteristics of metals, such as their electronic band structure and, consequently, their electric, magnetic and optical properties, can be tailored by controlled hydrogen doping. Due to their morphology and well-defined geometry with flat, coplanar surfaces/interfaces, novel phenomena may be observed in thin films. Prominent examples are the eye-catching hydrogen switchable mirror effect, the visualization of solid-state diffusion and the formation of complex surface morphologies. Thin films do not suffer as much from embrittlement and/or decrepitation as bulk materials, allowing the study of cyclic absorption and desorption. Therefore, thin-metal hydride films are used as model systems to study metal-insulator transitions, for high throughput combinatorial research or they may be used as indicator layers to study hydrogen diffusion. They can be found in technological applications as hydrogen sensors, in electrochromic and thermochromic devices. In this review, we discuss the effect of hydrogen loading of thin niobium and yttrium films as archetypical examples of a transition metal and a rare earth metal, respectively. Our focus thereby lies on the hydrogen induced changes of the electronic structure and the morphology of the thin films, their optical properties, the visualization and the control of hydrogen diffusion and on the study of surface phenomena and catalysis.

  9. Can hydridic-to-protonic hydrogen bonds catalyze hydride transfers in biological systems?

    PubMed

    Marincean, Simona; Jackson, James E

    2010-12-30

    Catalysis of hydride transfer by hydridic-to-protonic hydrogen (HHH) bonding in α-hydroxy carbonyl isomerization reactions was examined computationally in the lithium salts of 7-substituted endo-3-hydroxybicyclo[2.2.1]hept-5-en-2-ones. The barrier for intramolecular hydride transfer in the parent system was calculated to be 17.2 kcal/mol. Traditional proton donors, such as OH and NH(3)(+), stabilized the metal cation-bridged transition state by 1.4 and 3.3 kcal/mol, respectively. Moreover, among the conformers of the OH systems, the one in which the proton donor is able to interact with the migrating hydride (H(m)) has an activation barrier lower by 1.3 and 1.7 kcal/mol than the other possible OH conformers. By contrast, the presence of an electronegative group such as F, which disfavors the migration electronically by opposing development of hydridic charge, destabilizes the hydride migration by 1.5 kcal/mol relative to the epimeric exo system. In both ground and transition states the H(m)···H distance decreased with increasing acidity of the proton donor, reaching a minimum of 1.58 Å at the transition state for NH(3)(+). Both Mulliken and NPA charges show enhancement of negative character of the migrating hydride in the cases in which HHH bonding is possible. PMID:21141894

  10. 49 CFR 173.311 - Metal hydride storage systems.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 49 Transportation 2 2012-10-01 2012-10-01 false Metal hydride storage systems. 173.311 Section 173... systems. The following packing instruction is applicable to transportable UN Metal hydride storage systems... maximum developed pressure not exceeding 25 MPa. Metal hydride storage systems must be...

  11. Atomistic potentials for palladium-silver hydrides

    NASA Astrophysics Data System (ADS)

    Hale, L. M.; Wong, B. M.; Zimmerman, J. A.; Zhou, X. W.

    2013-06-01

    New embedded-atom method potentials for the ternary palladium-silver-hydrogen system are developed by extending a previously developed palladium-hydrogen potential. The ternary potentials accurately capture the heat of mixing and structural properties associated with solid solution alloys of palladium-silver. Stable hydrides are produced with properties that smoothly transition across the compositions. Additions of silver to palladium are predicted to alter the properties of the hydrides by decreasing the miscibility gap and increasing the likelihood of hydrogen atoms occupying tetrahedral interstitial sites over octahedral interstitial sites.

  12. 1. VIEW OF A PORTION OF THE HYDRIDE PROCESSING LABORATORY. ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    1. VIEW OF A PORTION OF THE HYDRIDE PROCESSING LABORATORY. OPERATIONS IN THE GLOVE BOX IN THE BACKGROUND OF THE PHOTOGRAPH INCLUDED HYDRIDING OF PLUTONIUM AND HYDRIDE SEPARATION. IN THE FOREGROUND, THE VACUUM MONITOR CONTROL PANEL MEASURED TEMPERATURES WITHIN THE GLOVEBOX. THE CENTER CONTROL PANEL REGULATED THE FURNACE INSIDE THE GLOVE BOX USED IN THE HYDRIDING PROCESSES. THIS EQUIPMENT WAS ESSENTIAL TO THE HYDRIDING PROCESS, AS WELL AS OTHER GLOVE BOX OPERATIONS. - Rocky Flats Plant, Plutonium Laboratory, North-central section of industrial area at 79 Drive, Golden, Jefferson County, CO

  13. Hydridable material for the negative electrode in a nickel-metal hydride storage battery

    DOEpatents

    Knosp, Bernard; Bouet, Jacques; Jordy, Christian; Mimoun, Michel; Gicquel, Daniel

    1997-01-01

    A monophase hydridable material for the negative electrode of a nickel-metal hydride storage battery with a "Lave's phase" structure of hexagonal C14 type (MgZn.sub.2) has the general formula: Zr.sub.1-x Ti.sub.x Ni.sub.a Mn.sub.b Al.sub.c Co.sub.d V.sub.e where ##EQU1##

  14. Metal hydride fuel storage and method thereof

    SciTech Connect

    Morse, Jeffrey D.; Jankowski, Alan F.; Yu, Conrad

    2006-10-17

    Disclosed herein is a metal hydride fuel storage cartridge having integrated resistive heaters that can be used in conjunction with fuel cells such as MEMS-based fuel cells. The cartridge is fabricated using micromachining methods and thin/thick film materials synthesis techniques.

  15. Metal hydride fuel storage and method thereof

    DOEpatents

    Morse, Jeffrey D [Martinez, CA; Jankowski, Alan F [Livermore, CA; Yu, Conrad [Antioch, CA

    2009-05-05

    Disclosed herein is a metal hydride fuel storage cartridge having integrated resistive heaters that can be used in conjunction with fuel cells such as MEMS-based fuel cells. The cartridge is fabricated using micromachining methods and thin/thick film materials synthesis techniques.

  16. Cockpit automation

    NASA Technical Reports Server (NTRS)

    Wiener, Earl L.

    1988-01-01

    The aims and methods of aircraft cockpit automation are reviewed from a human-factors perspective. Consideration is given to the mixed pilot reception of increased automation, government concern with the safety and reliability of highly automated aircraft, the formal definition of automation, and the ground-proximity warning system and accidents involving controlled flight into terrain. The factors motivating automation include technology availability; safety; economy, reliability, and maintenance; workload reduction and two-pilot certification; more accurate maneuvering and navigation; display flexibility; economy of cockpit space; and military requirements.

  17. METHOD OF FABRICATING A URANIUM-ZIRCONIUM HYDRIDE REACTOR CORE

    DOEpatents

    Weeks, I.F.; Goeddel, W.V.

    1960-03-22

    A method is described of evenly dispersing uranlum metal in a zirconium hydride moderator to produce a fuel element for nuclear reactors. According to the invention enriched uranium hydride and zirconium hydride powders of 200 mesh particle size are thoroughly admixed to form a mixture containing 0.1 to 3% by weight of U/sup 235/ hydride. The mixed powders are placed in a die and pressed at 100 tons per square inch at room temperature. The resultant compacts are heated in a vacuum to 300 deg C, whereby the uranium hydride deoomposes into uranium metal and hydrogen gas. The escaping hydrogen gas forms a porous matrix of zirconium hydride, with uramum metal evenly dispersed therethrough. The advantage of the invention is that the porosity and uranium distribution of the final fuel element can be more closely determined and controlled than was possible using prior methods of producing such fuel ele- ments.

  18. Dissipative hydride precipitates in superconducting niobium cavities

    SciTech Connect

    Romanenko, A.; Cooley, L.D.; Ciovati, G.; Wu, G.; /Argonne

    2011-10-01

    We report the first direct observation of the microstructural features exhibiting RF losses at high surface magnetic fields of above 100 mT in field emission free superconducting niobium cavities. The lossy areas were identified by advanced thermometry. Surface investigations using different techniques were carried out on cutout samples from lossy areas and showed the presence of dendritic niobium hydrides. This finding has possible implications to the mechanisms of RF losses in superconducting niobium at all field levels.

  19. Flow in a metal hydride chromatographic column

    SciTech Connect

    Nichols, G.S.

    1990-01-01

    The flow of hydrogen isotopes in a metal hydride chromatographic column is calculated by a one-dimensional finite difference method. The Ergun equation is used to define the gas flow; and equilibrium pressure isotherms are used to define the column holdup. Solid phase loadings are shown to move as a wave front on absorption, but remain more uniform on desorption. 3 refs., 4 figs.

  20. Nickel metal hydride LEO cycle testing

    NASA Technical Reports Server (NTRS)

    Lowery, Eric

    1995-01-01

    The George C. Marshall Space Flight Center is working to characterize aerospace AB5 Nickel Metal Hydride (NiMH) cells. The cells are being evaluated in terms of storage, low earth orbit (LEO) cycling, and response to parametric testing (high rate charge and discharge, charge retention, pulse current ability, etc.). Cells manufactured by Eagle Picher are the subjects of the evaluation. There is speculation that NiMH cells may become direct replacements for current Nickel Cadmium cells in the near future.

  1. HYDRIDE-RELATED DEGRADATION OF SNF CLADDING UNDER REPOSITORY CONDITIONS

    SciTech Connect

    K. McCoy

    2000-12-12

    The purpose and scope of this analysis/model report is to analyze the degradation of commercial spent nuclear fuel (CSNF) cladding under repository conditions by the hydride-related metallurgical processes, such as delayed hydride cracking (DHC), hydride reorientation and hydrogen embrittlement, thereby providing a better understanding of the degradation process and clarifying which aspects of the process are known and which need further evaluation and investigation. The intended use is as an input to a more general analysis of cladding degradation.

  2. Density Functional Screening of Metal Hydride Reactions

    NASA Astrophysics Data System (ADS)

    Johnson, Karl; Alapati, Sudhakar; Dai, Bing; Kim, Ki-Chul; Sholl, David

    2008-03-01

    The on-board storage of hydrogen is one of the most vexing problems associated with the development of viable fuel cell vehicles. Hydrides of period 2 or 3 metals can store hydrogen at high gravimetric and volumetric densities. However, existing hydrides either have unacceptable thermodynamics or kinetics. New materials for hydrogen storage are therefore needed. We demonstrate how first principles density functional theory (DFT) can be used to screen potential candidate materials for hydrogen storage. We have used DFT calculations in conjunction with a free energy analysis to screen over a million reactions involving 212 known compounds. This approach has identified several interesting reaction schemes that have not yet been explored experimentally. We have computed the phonon density of states and used this information to predict the van't Hoff plots for some of the most promising candidate reactions identified though our modeling. We have also examined the thermodynamics of thin films and nanoparticles for selected metal hydrides by accounting for the surface energies of the films or nanoparticles.

  3. METAL HYDRIDE HYDROGEN COMPRESSORS: A REVIEW

    SciTech Connect

    Bowman Jr, Robert C; Yartys, Dr. Volodymyr A.; Lototskyy, Dr. Michael V; Pollet, Dr. B.G.

    2014-01-01

    Metal hydride (MH) thermal sorption compression is an efficient and reliable method allowing a conversion of energy from heat into a compressed hydrogen gas. The most important component of such a thermal engine the metal hydride material itself should possess several material features in order to achieve an efficient performance in the hydrogen compression. Apart from the hydrogen storage characteristics important for every solid H storage material (e.g. gravimetric and volumetric efficiency of H storage, hydrogen sorption kinetics and effective thermal conductivity), the thermodynamics of the metal-hydrogen systems is of primary importance resulting in a temperature dependence of the absorption/desorption pressures). Several specific features should be optimized to govern the performance of the MH-compressors including synchronisation of the pressure plateaus for multi-stage compressors, reduction of slope of the isotherms and hysteresis, increase of cycling stability and life time, together with challenges in system design associated with volume expansion of the metal matrix during the hydrogenation. The present review summarises numerous papers and patent literature dealing with MH hydrogen compression technology. The review considers (a) fundamental aspects of materials development with a focus on structure and phase equilibria in the metal-hydrogen systems suitable for the hydrogen compression; and (b) applied aspects, including their consideration from the applied thermodynamic viewpoint, system design features and performances of the metal hydride compressors and major applications.

  4. Materials compatibility of hydride storage materials with austenitic stainless steels

    SciTech Connect

    Clark, E.A.

    1992-09-21

    This task evaluated the materials compatibility of LaNi{sub 5-x}Al{sub x} (x= 0.3, 0.75) hydrides and palladium coated kieselguhr with austenitic stainless steel in hydrogen and tritium process environments. Based on observations of retired prototype hydride storage beds and materials exposure testing samples designed for this study, no materials compatibility problem was indicated. Scanning electron microscopy observations of features on stainless steel surfaces after exposure to hydrides are also commonly found on as-received materials before hydriding. These features are caused by either normal heat treating and acid cleaning of stainless steel or reflect the final machining operation.

  5. Materials compatibility of hydride storage materials with austenitic stainless steels

    SciTech Connect

    Clark, E.A.

    1992-09-21

    This task evaluated the materials compatibility of LaNi[sub 5-x]Al[sub x] (x= 0.3, 0.75) hydrides and palladium coated kieselguhr with austenitic stainless steel in hydrogen and tritium process environments. Based on observations of retired prototype hydride storage beds and materials exposure testing samples designed for this study, no materials compatibility problem was indicated. Scanning electron microscopy observations of features on stainless steel surfaces after exposure to hydrides are also commonly found on as-received materials before hydriding. These features are caused by either normal heat treating and acid cleaning of stainless steel or reflect the final machining operation.

  6. Fe induced hydride formation in ZrPd2

    SciTech Connect

    Gupta, Michele; Gupta, Raju; Singh, David J

    2008-01-01

    We show via first-principles calculations that the electronic structure of ZrPd{sub 2}, which does not form a hydride, can be modified by partial substitution of Fe for Pd, leading to a material that forms a hydride. We also show that PdZr{sub 2}, which forms a very stable hydride, can also be modified by Fe addition to lower the enthalpy of hydride formation. These results are explained in terms of electronic structure, specifically electronegativity, charge transfer, and s-d bonding, and clearly have implications in the search of new materials for hydrogen storage.

  7. Storing hydrogen in the form of light alloy hydrides

    NASA Technical Reports Server (NTRS)

    Freund, E.; Gillerm, C.

    1981-01-01

    Different hydrides are investigated to find a system with a sufficiently high storage density (at least 3%). The formation of hydrides with light alloys is examined. Reaction kinetics for hydride formation were defined and applied to the systems Mg-Al-H, Mg-Al-Cu-H, Ti-Al-H, Ti-Al-Cu-H, and Ti-Al-Ni-H. Results indicate that the addition of Al destabilizes MgH2 and TiH2 hydrides while having only a limited effect on the storage density.

  8. METHOD AND APPARATUS FOR MAKING URANIUM-HYDRIDE COMPACTS

    DOEpatents

    Wellborn, W.; Armstrong, J.R.

    1959-03-10

    A method and apparatus are presented for making compacts of pyrophoric hydrides in a continuous operation out of contact with air. It is particularly useful for the preparation of a canned compact of uranium hydride possessing high density and purity. The metallic uranium is enclosed in a container, positioned in a die body evacuated and nvert the uranium to the hydride is admitted and the container sealed. Heat is applied to bring about the formation of the hydride, following which compression is used to form the compact sealed in a container ready for use.

  9. Method of making crack-free zirconium hydride

    DOEpatents

    Sullivan, Richard W.

    1980-01-01

    Crack-free hydrides of zirconium and zirconium-uranium alloys are produced by alloying the zirconium or zirconium-uranium alloy with beryllium, or nickel, or beryllium and scandium, or nickel and scandium, or beryllium and nickel, or beryllium, nickel and scandium and thereafter hydriding.

  10. Metal Hydrides for High-Temperature Power Generation

    DOE PAGES

    Ronnebro, Ewa; Whyatt, Greg A.; Powell, Michael R.; Westman, Matthew P.; Zheng, Feng; Fang, Zhigang Zak

    2015-08-10

    Metal hydrides can be utilized for hydrogen storage and for thermal energy storage (TES) applications. By using TES with solar technologies, heat can be stored from sun energy to be used later which enables continuous power generation. We are developing a TES technology based on a dual-bed metal hydride system, which has a high-temperature (HT) metal hydride operating reversibly at 600-800°C to generate heat as well as a low-temperature (LT) hydride near room temperature that is used for hydrogen storage during sun hours until there is a need to produce electricity, such as during night time, a cloudy day, ormore » during peak hours. We proceeded from selecting a high-energy density, low-cost HT-hydride based on performance characterization on gram size samples, to scale-up to kilogram quantities and design, fabrication and testing of a 1.5kWh, 200kWh/m3 bench-scale TES prototype based on a HT-bed of titanium hydride and a hydrogen gas storage instead of a LT-hydride. COMSOL Multiphysics was used to make performance predictions for cylindrical hydride beds with varying diameters and thermal conductivities. Based on experimental and modeling results, a bench-scale prototype was designed and fabricated and we successfully showed feasibility to meet or exceed all performance targets.« less

  11. Hydrogen storage in the form of metal hydrides

    NASA Technical Reports Server (NTRS)

    Zwanziger, M. G.; Santana, C. C.; Santos, S. C.

    1984-01-01

    Reversible reactions between hydrogen and such materials as iron/titanium and magnesium/ nickel alloy may provide a means for storing hydrogen fuel. A demonstration model of an iron/titanium hydride storage bed is described. Hydrogen from the hydride storage bed powers a converted gasoline electric generator.

  12. High energy density battery based on complex hydrides

    DOEpatents

    Zidan, Ragaiy

    2016-04-26

    A battery and process of operating a battery system is provided using high hydrogen capacity complex hydrides in an organic non-aqueous solvent that allows the transport of hydride ions such as AlH.sub.4.sup.- and metal ions during respective discharging and charging steps.

  13. Metal Hydrides for High-Temperature Power Generation

    SciTech Connect

    Ronnebro, Ewa; Whyatt, Greg A.; Powell, Michael R.; Westman, Matthew P.; Zheng, Feng; Fang, Zhigang Zak

    2015-08-10

    Metal hydrides can be utilized for hydrogen storage and for thermal energy storage (TES) applications. By using TES with solar technologies, heat can be stored from sun energy to be used later which enables continuous power generation. We are developing a TES technology based on a dual-bed metal hydride system, which has a high-temperature (HT) metal hydride operating reversibly at 600-800°C to generate heat as well as a low-temperature (LT) hydride near room temperature that is used for hydrogen storage during sun hours until there is a need to produce electricity, such as during night time, a cloudy day, or during peak hours. We proceeded from selecting a high-energy density, low-cost HT-hydride based on performance characterization on gram size samples, to scale-up to kilogram quantities and design, fabrication and testing of a 1.5kWh, 200kWh/m3 bench-scale TES prototype based on a HT-bed of titanium hydride and a hydrogen gas storage instead of a LT-hydride. COMSOL Multiphysics was used to make performance predictions for cylindrical hydride beds with varying diameters and thermal conductivities. Based on experimental and modeling results, a bench-scale prototype was designed and fabricated and we successfully showed feasibility to meet or exceed all performance targets.

  14. Modular hydride beds for mobile applications

    SciTech Connect

    Malinowski, M.E.; Stewart, K.D.

    1997-08-01

    Design, construction, initial testing and simple thermal modeling of modular, metal hydride beds have been completed. Originally designed for supplying hydrogen to a fuel cell on a mobile vehicle, the complete bed design consists of 8 modules and is intended for use on the Palm Desert Vehicle (PDV) under development at the Schatz Energy Center, Humbolt State University. Each module contains approximately 2 kg of a commercially available, low temperature, hydride-forming metal alloy. Waste heat from the fuel cell in the form of heated water is used to desorb hydrogen from the alloy for supplying feed hydrogen to the fuel cell. In order to help determine the performance of such a modular bed system, six modules were constructed and tested. The design and construction of the modules is described in detail. Initial testing of the modules both individually and as a group showed that each module can store {approximately} 30 g of hydrogen (at 165 PSIA fill pressure, 17 C), could be filled with hydrogen in 6 minutes at a nominal, 75 standard liters/min (slm) fueling rate, and could supply hydrogen during desorption at rates of 25 slm, the maximum anticipated hydrogen fuel cell input requirement. Tests made of 5 modules as a group indicated that the behavior of the group run in parallel both in fueling and gas delivery could be directly predicted from the corresponding, single module characteristics by using an appropriate scaling factor. Simple thermal modeling of a module as an array of cylindrical, hydride-filled tubes was performed. The predictions of the model are in good agreement with experimental data.

  15. Automation or De-automation

    NASA Astrophysics Data System (ADS)

    Gorlach, Igor; Wessel, Oliver

    2008-09-01

    In the global automotive industry, for decades, vehicle manufacturers have continually increased the level of automation of production systems in order to be competitive. However, there is a new trend to decrease the level of automation, especially in final car assembly, for reasons of economy and flexibility. In this research, the final car assembly lines at three production sites of Volkswagen are analysed in order to determine the best level of automation for each, in terms of manufacturing costs, productivity, quality and flexibility. The case study is based on the methodology proposed by the Fraunhofer Institute. The results of the analysis indicate that fully automated assembly systems are not necessarily the best option in terms of cost, productivity and quality combined, which is attributed to high complexity of final car assembly systems; some de-automation is therefore recommended. On the other hand, the analysis shows that low automation can result in poor product quality due to reasons related to plant location, such as inadequate workers' skills, motivation, etc. Hence, the automation strategy should be formulated on the basis of analysis of all relevant aspects of the manufacturing process, such as costs, quality, productivity and flexibility in relation to the local context. A more balanced combination of automated and manual assembly operations provides better utilisation of equipment, reduces production costs and improves throughput.

  16. Highly Concentrated Palladium Hydrides/Deuterides; Theory

    SciTech Connect

    Papaconstantopoulos, Dimitrios

    2013-11-26

    Accomplishments are reported in these areas: tight-binding molecular dynamics study of palladium; First-principles calculations and tight-binding molecular dynamics simulations of the palladium-hydrogen system; tight-binding studies of bulk properties and hydrogen vacancies in KBH{sub 4}; tight-binding study of boron structures; development of angular dependent potentials for Pd-H; and density functional and tight-binding calculations for the light-hydrides NaAlH4 and NaBH4

  17. Metal hydride fuel storage and method thereof

    DOEpatents

    Morse, Jeffrey D.; Jankowski, Alan F.; Yu, Conrad

    2010-08-10

    An apparatus having a first substrate having (1) a cavity, (2) one or more resistive heaters, and (3) one or more coatings forming a diffusion barrier to hydrogen; a second substrate having (1) an outlet valve comprising a pressure relief structure and (2) one or more coatings forming a diffusion barrier to hydrogen, wherein said second substrate is coupled to said first substrate forming a sealed volume in said cavity; a metal hydride material contained within said cavity; and a gas distribution system formed by coupling a microfluidic interconnect to said pressure relief structure. Additional apparatuses and methods are also disclosed.

  18. Development of nickel-metal hydride cell

    NASA Technical Reports Server (NTRS)

    Kuwajima, Saburo; Kamimori, Nolimits; Nakatani, Kensuke; Yano, Yoshiaki

    1993-01-01

    National Space Development Agency of Japan (NASDA) has conducted the research and development (R&D) of battery cells for space use. A new R&D program about a Nickel-Metal Hydride (Ni-MH) cell for space use from this year, based on good results in evaluations of commercial Ni-MH cells in Tsukuba Space Center (TKSC), was started. The results of those commercial Ni-MH cell's evaluations and recent status about the development of Ni-MH cells for space use are described.

  19. Metal hydrides for concentrating solar thermal power energy storage

    NASA Astrophysics Data System (ADS)

    Sheppard, D. A.; Paskevicius, M.; Humphries, T. D.; Felderhoff, M.; Capurso, G.; Bellosta von Colbe, J.; Dornheim, M.; Klassen, T.; Ward, P. A.; Teprovich, J. A.; Corgnale, C.; Zidan, R.; Grant, D. M.; Buckley, C. E.

    2016-04-01

    The development of alternative methods for thermal energy storage is important for improving the efficiency and decreasing the cost of concentrating solar thermal power. We focus on the underlying technology that allows metal hydrides to function as thermal energy storage (TES) systems and highlight the current state-of-the-art materials that can operate at temperatures as low as room temperature and as high as 1100 °C. The potential of metal hydrides for thermal storage is explored, while current knowledge gaps about hydride properties, such as hydride thermodynamics, intrinsic kinetics and cyclic stability, are identified. The engineering challenges associated with utilising metal hydrides for high-temperature TES are also addressed.

  20. Porous metal hydride composite and preparation and uses thereof

    DOEpatents

    Steyert, W.A.; Olsen, C.E.

    1980-03-12

    A composite formed from large pieces of aggregate formed from (1) metal hydride (or hydride-former) powder and (2) either metal powder or plastic powder or both is prepared. The composite has large macroscopic interconnected pores (much larger than the sizes of the powders which are used) and will have a very fast heat transfer rate and low windage loss. It will be useful, for example, in heat engines, hydrogen storage devices, and refrigerator components which depend for their utility upon both a fast rate of hydriding and dehydriding. Additionally, a method of preparing the composite and a method of increasing the rates of hydriding and dehydriding of metal hydrides are also given.

  1. Porous metal hydride composite and preparation and uses thereof

    DOEpatents

    Steyert, William A.; Olsen, Clayton E.

    1982-01-01

    A composite formed from large pieces of aggregate formed from (1) metal hydride (or hydride-former) powder and (2) either metal powder or plastic powder or both is prepared. The composite has large macroscopic interconnected pores (much larger than the sizes of the powders which are used) and will have a very fast heat transfer rate and low windage loss. It will be useful, for example, in heat engines, hydrogen storage devices, and refrigerator components which depend for their utility upon both a fast rate of hydriding and dehydriding. Additionally, a method of preparing the composite and a method of increasing the rates of hydriding and dehydriding of metal hydrides are also given.

  2. Recent advances in metal hydrides for clean energy applications

    SciTech Connect

    Ronnebro, Ewa; Majzoub, Eric H.

    2013-06-01

    Metal hydrides are a fascinating class of materials that can be utilized for a surprising variety of clean energy applications, including smart solar collectors, smart windows, sensors, thermal energy storage, and batteries, in addition to their traditional application for hydrogen storage. Over the past decade, research on metal hydrides for hydrogen storage increased due to global governmental incentives and an increased focus on hydrogen storage research for polymer electrolyte membrane fuel cell operation. Tremendous progress has been made in so-called complex metal hydrides for hydrogen storage applications with the discovery of many new hydrides containing covalently bound complex anions. Many of these materials have applications beyond hydrogen storage and are being investigated for lithium-ion battery separator and anode materials. In this issue of MRS Bulletin , we present the state of the art of key evolving metal-hydride-based clean energy technologies with an outlook toward future needs.

  3. Process automation

    SciTech Connect

    Moser, D.R.

    1986-01-01

    Process automation technology has been pursued in the chemical processing industries and to a very limited extent in nuclear fuel reprocessing. Its effective use has been restricted in the past by the lack of diverse and reliable process instrumentation and the unavailability of sophisticated software designed for process control. The Integrated Equipment Test (IET) facility was developed by the Consolidated Fuel Reprocessing Program (CFRP) in part to demonstrate new concepts for control of advanced nuclear fuel reprocessing plants. A demonstration of fuel reprocessing equipment automation using advanced instrumentation and a modern, microprocessor-based control system is nearing completion in the facility. This facility provides for the synergistic testing of all chemical process features of a prototypical fuel reprocessing plant that can be attained with unirradiated uranium-bearing feed materials. The unique equipment and mission of the IET facility make it an ideal test bed for automation studies. This effort will provide for the demonstration of the plant automation concept and for the development of techniques for similar applications in a full-scale plant. A set of preliminary recommendations for implementing process automation has been compiled. Some of these concepts are not generally recognized or accepted. The automation work now under way in the IET facility should be useful to others in helping avoid costly mistakes because of the underutilization or misapplication of process automation. 6 figs.

  4. Results of NDE Technique Evaluation of Clad Hydrides

    SciTech Connect

    Dennis C. Kunerth

    2014-09-01

    This report fulfills the M4 milestone, M4FT-14IN0805023, Results of NDE Technique Evaluation of Clad Hydrides, under Work Package Number FT-14IN080502. During service, zirconium alloy fuel cladding will degrade via corrosion/oxidation. Hydrogen, a byproduct of the oxidation process, will be absorbed into the cladding and eventually form hydrides due to low hydrogen solubility limits. The hydride phase is detrimental to the mechanical properties of the cladding and therefore it is important to be able to detect and characterize the presence of this constituent within the cladding. Presently, hydrides are evaluated using destructive examination. If nondestructive evaluation techniques can be used to detect and characterize the hydrides, the potential exists to significantly increase test sample coverage while reducing evaluation time and cost. To demonstrate the viability this approach, an initial evaluation of eddy current and ultrasonic techniques were performed to demonstrate the basic ability to these techniques to detect hydrides or their effects on the microstructure. Conventional continuous wave eddy current techniques were applied to zirconium based cladding test samples thermally processed with hydrogen gas to promote the absorption of hydrogen and subsequent formation of hydrides. The results of the evaluation demonstrate that eddy current inspection approaches have the potential to detect both the physical damage induced by hydrides, e.g. blisters and cracking, as well as the combined effects of absorbed hydrogen and hydride precipitates on the electrical properties of the zirconium alloy. Similarly, measurements of ultrasonic wave velocities indicate changes in the elastic properties resulting from the combined effects of absorbed hydrogen and hydride precipitates as well as changes in geometry in regions of severe degradation. However, for both approaches, the signal responses intended to make the desired measurement incorporate a number of contributing

  5. Nanoindentation measurements of the mechanical properties of zirconium matrix and hydrides in unirradiated pre-hydrided nuclear fuel cladding

    NASA Astrophysics Data System (ADS)

    Rico, A.; Martin-Rengel, M. A.; Ruiz-Hervias, J.; Rodriguez, J.; Gomez-Sanchez, F. J.

    2014-09-01

    It is well known that the mechanical properties of the nuclear fuel cladding may be affected by the presence of hydrides. The average mechanical properties of hydrided cladding have been extensively investigated from a macroscopic point of view. In addition, the mechanical and fracture properties of bulk hydride samples fabricated from zirconium plates have also been reported. In this paper, Young's modulus, hardness and yield stress are measured for each phase, namely zirconium hydrides and matrix, of pre-hydrided nuclear fuel cladding. To this end, nanoindentation tests were performed on ZIRLO samples in as-received state, on a hydride blister and in samples with 150 and 1200 ppm of hydrogen homogeneously distributed along the hoop direction of the cladding. The results show that the measured mechanical properties of the zirconium hydrides and ZIRLO matrix (Young's modulus, hardness and yield stress) are rather similar. From the experimental data, the hydride volume fraction in the cladding samples with 150 and 1200 ppm was estimated and the average mechanical properties were calculated by means of the rule of mixtures. These values were compared with those obtained from ring compression tests. Good agreement between the results obtained by both methods was found.

  6. Synthesis and Hydride Transfer Reactions of Cobalt and Nickel Hydride Complexes to BX3 Compounds

    SciTech Connect

    Mock, Michael T.; Potter, Robert G.; O'Hagan, Molly J.; Camaioni, Donald M.; Dougherty, William G.; Kassel, W. S.; DuBois, Daniel L.

    2011-12-05

    Hydrides of numerous transition metal complexes can be generated by the heterolytic cleavage of H{sub 2} gas such that they offer alternatives to using main group hydrides in the regeneration of ammonia borane, a compound that has been intensely studied for hydrogen storage applications. Previously, we reported that HRh(dmpe){sub 2}, dmpe = 1,2-bis(dimethylphosphinoethane) was capable of reducing a variety of BX{sub 3} compounds having hydride affinity (HA) greater than or equal to HA of BEt{sub 3}. This study examines the reactivity of less expensive cobalt and nickel hydride complexes, (HCo(dmpe){sub 2} and [HNi(dmpe){sub 2}]{sup +}), to form B-H bonds. The hydride donor abilities ({Delta}G{sub H{sup -}}{sup o}) of HCo(dmpe){sub 2} and [HNi(dmpe){sub 2}]{sup +} were positioned on a previously established scale in acetonitrile that is cross-referenced with calculated HAs of BX{sub 3} compounds. The collective data guided our selection of BX{sub 3} compounds to investigate and aided our analysis of factors that determine favorability of hydride transfer. HCo(dmpe){sub 2} was observed to transfer H{sup -} to BX{sub 3} compounds with X = H, OC{sub 6}F{sub 5} and SPh. The reaction with B(SPh){sub 3} is accompanied by formation of (BH{sub 3}){sub 2}-dmpe and (BH{sub 2}SPh){sub 2}-dmpe products that follow from reduction of multiple BSPh bonds and loss of a dmpe ligand from Co. Reactions between HCo(dmpe){sub 2} and B(SPh){sub 3} in the presence of triethylamine result in formation of Et{sub 3}N-BH{sub 2}SPh and Et{sub 3}N-BH{sub 3} with no loss of dmpe ligand. Reactions of the cationic complex [HNi(dmpe){sub 2}]{sup +} with B(SPh){sub 3} under analogous conditions give Et{sub 3}N-BH{sub 2}SPh as the final product along with the nickel-thiolate complex [Ni(dmpe){sub 2}(SPh)]{sup +}. The synthesis and characterization of HCo(dedpe){sub 2} (dedpe = diethyldiphenyl(phosphino)ethane) from H{sub 2} and a base is also discussed; including the formation of an uncommon trans

  7. Fracture Resistance of a Zirconium Alloy with Reoriented Hydrides

    NASA Astrophysics Data System (ADS)

    Chan, Kwai S.; He, Xihua; Pan, Yi-Ming

    2015-01-01

    Zirconium alloy cladding materials typically contain circumferential hydrides that may be reoriented to align along the radial direction when the cladding tubes are heated above and then cooled below the solvus temperature. The objectives of this study were to investigate the critical stress levels required to cause hydride reorientation (HRT) and to characterize the fracture resistance of Zircaloy-2 after hydride reorientation. HRT heat-treatment was performed on hydrogen-charged Zircaloy-2 specimens at 593 K (320 °C) or 623 K (350 °C) for 1 to 2 hours, followed by cooling to 473 K (200 °C). Fracture testing was conducted on hydride-reoriented three-point bend specimens at 473 K (200 °C) using an in situ loading stage inside a scanning electron microscope. Direct observations indicated that the reoriented hydrides, which ranged from ≈1 to 22 μm in lengths, were more prone to fracture at larger sizes (>10 μm) compared to smaller sizes (<0.5 μm). The reoriented hydrides reduced fracture resistance through a void nucleation, growth, and coalescence process at the crack tip. The resulting crack-resistance curves for Zircaloy-2 with reoriented hydrides decrease from 38 to 21 MPa(m)1/2 with increasing hydrogen contents from 51 to 1265 wt ppm hydrogen.

  8. Molecular rare-earth-metal hydrides in non-cyclopentadienyl environments.

    PubMed

    Fegler, Waldemar; Venugopal, Ajay; Kramer, Mathias; Okuda, Jun

    2015-02-01

    Molecular hydrides of the rare-earth metals play an important role as homogeneous catalysts and as counterparts of solid-state interstitial hydrides. Structurally well-characterized non-metallocene-type hydride complexes allow the study of elementary reactions that occur at rare-earth-metal centers and of catalytic reactions involving bonds between rare-earth metals and hydrides. In addition to neutral hydrides, cationic derivatives have now become available.

  9. Technical and economic aspects of hydrogen storage in metal hydrides

    NASA Technical Reports Server (NTRS)

    Schmitt, R.

    1981-01-01

    The recovery of hydrogen from such metal hydrides as LiH, MgH2, TiH2, CaH2 and FeTiH compounds is studied, with the aim of evaluating the viability of the technique for the storage of hydrogen fuel. The pressure-temperature dependence of the reactions, enthalpies of formation, the kinetics of the hydrogen absorption and desorption, and the mechanical and chemical stability of the metal hydrides are taken into account in the evaluation. Economic aspects are considered. Development of portable metal hydride hydrogen storage reservoirs is also mentioned.

  10. Structural Characterization of Metal Hydrides for Energy Applications

    NASA Astrophysics Data System (ADS)

    George, Lyci

    Hydrogen can be an unlimited source of clean energy for future because of its very high energy density compared to the conventional fuels like gasoline. An efficient and safer way of storing hydrogen is in metals and alloys as hydrides. Light metal hydrides, alanates and borohydrides have very good hydrogen storage capacity, but high operation temperatures hinder their application. Improvement of thermodynamic properties of these hydrides is important for their commercial use as a source of energy. Application of pressure on materials can have influence on their properties favoring hydrogen storage. Hydrogen desorption in many complex hydrides occurs above the transition temperature. Therefore, it is important to study the physical properties of the hydride compounds at ambient and high pressure and/or high temperature conditions, which can assist in the design of suitable storage materials with desired thermodynamic properties. The high pressure-temperature phase diagram, thermal expansion and compressibility have only been evaluated for a limited number of hydrides so far. This situation serves as a main motivation for studying such properties of a number of technologically important hydrides. Focus of this dissertation was on X-ray diffraction and Raman spectroscopy studies of Mg2FeH6, Ca(BH4) 2, Mg(BH4)2, NaBH4, NaAlH4, LiAlH4, LiNH2BH3 and mixture of MgH 2 with AlH3 or Si, at different conditions of pressure and temperature, to obtain their bulk modulus and thermal expansion coefficient. These data are potential source of information regarding inter-atomic forces and also serve as a basis for developing theoretical models. Some high pressure phases were identified for the complex hydrides in this study which may have better hydrogen storage properties than the ambient phase. The results showed that the highly compressible B-H or Al-H bonds and the associated bond disordering under pressure is responsible for phase transitions observed in brorohydrides or

  11. Finite difference program for calculating hydride bed wall temperature profiles

    SciTech Connect

    Klein, J.E.

    1992-10-29

    A QuickBASIC finite difference program was written for calculating one dimensional temperature profiles in up to two media with flat, cylindrical, or spherical geometries. The development of the program was motivated by the need to calculate maximum temperature differences across the walls of the Tritium metal hydrides beds for thermal fatigue analysis. The purpose of this report is to document the equations and the computer program used to calculate transient wall temperatures in stainless steel hydride vessels. The development of the computer code was motivated by the need to calculate maximum temperature differences across the walls of the hydrides beds in the Tritium Facility for thermal fatigue analysis.

  12. Process for production of a metal hydride

    SciTech Connect

    Allen, Nathan Tait; Butterick, III, Robert; Chin, Arthur Achhing; Millar, Dean Michael; Molzahn, David Craig

    2014-08-12

    A process for production of a metal hydride compound MH.sub.x, wherein x is one or two and M is an alkali metal, Be or Mg. The process comprises combining a compound of formula (R.sup.1O).sub.xM with aluminum, hydrogen and at least one metal selected from among titanium, zirconium, hafnium, niobium, vanadium, tantalum and iron to produce a compound of formula MH.sub.x. R.sup.1 is phenyl or phenyl substituted by at least one alkyl or alkoxy group. A mole ratio of aluminum to (R.sup.1O).sub.xM is from 0.1:1 to 1:1. The catalyst is present at a level of at least 200 ppm based on weight of aluminum.

  13. Novel Hydride Transfer Catalysis for Carbohydrate Conversions

    SciTech Connect

    Holladay, John E.; Brown, Heather M.; Appel, Aaron M.; Zhang, Z. Conrad

    2008-04-03

    5-Hydroxymethylfurfural (HMF), an important versatile sugar derivative has been synthesized from glucose using catalytic amounts of CrCl2 in 1-ethyl-3-methylimidizolium chloride. Glycerol and glyceraldehyde were tested as sugar model compounds. Glycerol is unreactive and does not interfere with glucose conversion. Glyceraldehyde is reactive and does interfere with glucose conversion in competitive experiments. MnCl2 or FeCl2 catalyze dehydration of glyceraldehyde dimer to form compound I, a cyclic hemiacetal with an exocyclic double bond. Upon aqueous work-up I forms pyruvaldehyde. CrCl2 or VCl3 further catalyze a hydride transfer of I to form lactide. Upon aqueous work-up lactide is converted to lactic acid.

  14. Ni/metal hydride secondary element

    DOEpatents

    Bauerlein, Peter

    2005-04-19

    A Ni/metal hydride secondary element having a positive nickel hydroxide electrode, a negative electrode having a hydrogen storage alloy, and an alkaline electrolyte, the positive electrode, provided with a three-dimensional metallic conductive structure, also contains an aluminum compound which is soluble in the electrolyte, in addition to nickel hydroxide and cobalt oxide. The aluminum compound is aluminum hydroxide and/or aluminum oxide, and the mass of the aluminum compound which is present in the positive bulk material mixture is 0.1 to 2% by weight relative to the mass of the nickel hydroxide which is present. In combination with aluminum hydroxide or aluminum oxide, the positive electrode further contains lanthanoid oxidic compounds Y.sub.2 O.sub.3, La.sub.2 O.sub.3 and Ca(OH).sub.2, as well as mixtures of these compounds.

  15. Zirconium Hydride Space Power Reactor design.

    NASA Technical Reports Server (NTRS)

    Asquith, J. G.; Mason, D. G.; Stamp, S.

    1972-01-01

    The Zirconium Hydride Space Power Reactor being designed and fabricated at Atomics International is intended for a wide range of potential applications. Throughout the program a series of reactor designs have been evaluated to establish the unique requirements imposed by coupling with various power conversion systems and for specific applications. Current design and development emphasis is upon a 100 kilowatt thermal reactor for application in a 5 kwe thermoelectric space power generating system, which is scheduled to be fabricated and ground tested in the mid 70s. The reactor design considerations reviewed in this paper will be discussed in the context of this 100 kwt reactor and a 300 kwt reactor previously designed for larger power demand applications.

  16. Habitat automation

    NASA Technical Reports Server (NTRS)

    Swab, Rodney E.

    1992-01-01

    A habitat, on either the surface of the Moon or Mars, will be designed and built with the proven technologies of that day. These technologies will be mature and readily available to the habitat designer. We believe an acceleration of the normal pace of automation would allow a habitat to be safer and more easily maintained than would be the case otherwise. This document examines the operation of a habitat and describes elements of that operation which may benefit from an increased use of automation. Research topics within the automation realm are then defined and discussed with respect to the role they can have in the design of the habitat. Problems associated with the integration of advanced technologies into real-world projects at NASA are also addressed.

  17. Hydrogen storage in sodium aluminum hydride.

    SciTech Connect

    Ozolins, Vidvuds; Herberg, J.L. (Lawrence Livermore National Laboratories, Livermore, CA); McCarty, Kevin F.; Maxwell, Robert S. (Lawrence Livermore National Laboratories, Livermore, CA); Stumpf, Roland Rudolph; Majzoub, Eric H.

    2005-11-01

    Sodium aluminum hydride, NaAlH{sub 4}, has been studied for use as a hydrogen storage material. The effect of Ti, as a few mol. % dopant in the system to increase kinetics of hydrogen sorption, is studied with respect to changes in lattice structure of the crystal. No Ti substitution is found in the crystal lattice. Electronic structure calculations indicate that the NaAlH{sub 4} and Na{sub 3}AlH{sub 6} structures are complex-ionic hydrides with Na{sup +} cations and AlH{sub 4}{sup -} and AlH{sub 6}{sup 3-} anions, respectively. Compound formation studies indicate the primary Ti-compound formed when doping the material at 33 at. % is TiAl{sub 3} , and likely Ti-Al compounds at lower doping rates. A general study of sorption kinetics of NaAlH{sub 4}, when doped with a variety of Ti-halide compounds, indicates a uniform response with the kinetics similar for all dopants. NMR multiple quantum studies of solution-doped samples indicate solvent interaction with the doped alanate. Raman spectroscopy was used to study the lattice dynamics of NaAlH{sub 4}, and illustrated the molecular ionic nature of the lattice as a separation of vibrational modes between the AlH{sub 4}{sup -} anion-modes and lattice-modes. In-situ Raman measurements indicate a stable AlH{sub 4}{sup -} anion that is stable at the melting temperature of NaAlH{sub 4}, indicating that Ti-dopants must affect the Al-H bond strength.

  18. Self-Consistent-Field Calculation on Lithium Hydride for Undergraduates.

    ERIC Educational Resources Information Center

    Rioux, Frank; Harriss, Donald K.

    1980-01-01

    Describes a self-consistent-field-linear combination of atomic orbitals-molecular orbital calculation on the valence electrons of lithium hydride using the method of Roothaan. This description is intended for undergraduate physics students.

  19. Precipitation of hydrides in high purity niobium after different treatments

    SciTech Connect

    Barkov, F.; Romanenko, A.; Trenikhina, Y.; Grassellino, A.

    2013-01-01

    Precipitation of lossy non-superconducting niobium hydrides represents a known problem for high purity niobium in superconducting applications. Using cryogenic optical and laser confocal scanning microscopy we have directly observed surface precipitation and evolution of niobium hydrides in samples after different treatments used for superconducting RF cavities for particle acceleration. Precipitation is shown to occur throughout the sample volume, and the growth of hydrides is well described by the fast diffusion-controlled process in which almost all hydrogen is precipitated at $T=140$~K within $\\sim30$~min. 120$^{\\circ}$C baking and mechanical deformation are found to affect hydride precipitation through their influence on the number of nucleation and trapping centers.

  20. Life test results of hydride compressors for cryogenic refrigerators

    NASA Technical Reports Server (NTRS)

    Jones, J. A.; Golben, P. M.

    1984-01-01

    A development status assessment is made, from the viewpoint of system durability, for the hydride compressors used in such cryogenic refrigerators as that of the JPL, which has operated at 29 K for 500 hours and at lower temperatures for over 1000. Attention is given to a novel hydride compressor unit which has operated through 35,000 cycles and exhibits negligible degradation of check valves, hydride particle size, and expansion valves. The power requirement for liquid hydrogen cooling can be halved through the use of recuperative hot water heating methods, making this system comparable in power use to liquid hydrogen refrigeration systems operating on electricity. Due to the lack of moving parts in hydride refrigerator designs, potential service lifetimes of many years, and perhaps decades, are being projected.

  1. Nonaqueous actinide hydride dissolution and production of actinide $beta$- diketonates

    DOEpatents

    Crisler, L.R.

    1975-11-11

    Actinide beta-diketonate complex molecular compounds are produced by reacting a beta-diketone compound with a hydride of the actinide material in a mixture of carbon tetrachloride and methanol. (auth)

  2. Process for massively hydriding zirconium--uranium fuel elements

    DOEpatents

    Katz, N.H.

    1973-12-01

    A method is described of hydriding uranium-zirconium alloy by heating the alloy in a vacuum, introducing hydrogen and maintaining an elevated temperature until occurrence of the beta--delta phase transformation and isobarically cooling the composition. (Official Gazette)

  3. Solid-state gadolinium{endash}magnesium hydride optical switch

    SciTech Connect

    Armitage, R.; Rubin, M.; Richardson, T.; OBrien, N.; Chen, Y.

    1999-09-01

    The optical switching properties of gadolinium{endash}magnesium hydride have been demonstrated in a solid-state electrochromic device. With positive polarization of the hydride electrode, the visible reflectance approaches 35{percent} with virtually zero transmission, while with negative polarization, the visible transmission exceeds 25{percent} at 650 nm. The switching is reversible, with intermediate optical properties between the transparent and reflecting states. {copyright} {ital 1999 American Institute of Physics.}

  4. Development of the Low-Pressure Hydride/Dehydride Process

    SciTech Connect

    Rueben L. Gutierrez

    2001-04-01

    The low-pressure hydride/dehydride process was developed from the need to recover thin-film coatings of plutonium metal from the inner walls of an isotope separation chamber located at Los Alamos and to improve the safety operation of a hydride recovery process using hydrogen at a pressure of 0.7 atm at Rocky Flats. This process is now the heart of the Advanced Recovery and Integrated Extraction System (ARIES) project.

  5. Ab-Initio Study of the Group 2 Hydride Anions

    NASA Astrophysics Data System (ADS)

    Harris, Joe P.; Wright, Timothy G.; Manship, Daniel R.

    2013-06-01

    The beryllium hydride (BeH)- dimer has recently been shown to be surprisingly strongly bound, with an electronic structure which is highly dependent on internuclear separation. At the equilibrium distance, the negative charge is to be found on the beryllium atom, despite the higher electronegativity of the hydrogen. The current study expands this investigation to the other Group 2 hydrides, and attempts to explain these effects. M. Verdicchio, G. L. Bendazzoli, S. Evangelisti, T. Leininger J. Phys. Chem. A, 117, 192, (2013)

  6. Method of selective reduction of polyhalosilanes with alkyltin hydrides

    DOEpatents

    Sharp, Kenneth G.; D'Errico, John J.

    1989-01-01

    The invention relates to the selective and stepwise reduction of polyhalosilanes by reacting at room temperature or below with alkyltin hydrides without the use of free radical intermediates. Alkyltin hydrides selectively and stepwise reduce the Si--Br, Si--Cl, or Si--I bonds while leaving intact any Si--F bonds. When two or more different halogens are present on the polyhalosilane, the halogen with the highest atomic weight is preferentially reduced.

  7. Method of selective reduction of halodisilanes with alkyltin hydrides

    DOEpatents

    D'Errico, John J.; Sharp, Kenneth G.

    1989-01-01

    The invention relates to the selective and sequential reduction of halodisilanes by reacting these compounds at room temperature or below with trialkyltin hydrides or dialkyltin dihydrides without the use of free radical intermediates. The alkyltin hydrides selectively and sequentially reduce the Si-Cl, Si-Br or Si-I bonds while leaving intact the Si-Si and Si-F bonds present.

  8. Optimization of Hydride Rim Formation in Unirradiated Zr 4 Cladding

    SciTech Connect

    Shimskey, Rick W.; Hanson, Brady D.; MacFarlan, Paul J.

    2013-09-30

    The purpose of this work is to build on the results reported in the M2 milestone M2FT 13PN0805051, document number FCRD-USED-2013-000151 (Hanson, 2013). In that work, it was demonstrated that unirradiated samples of zircaloy-4 cladding could be pre-hydrided at temperatures below 400°C in pure hydrogen gas and that the growth of hydrides on the surface could be controlled by changing the surface condition of the samples and form a desired hydride rim on the outside diameter of the cladding. The work performed at Pacific Northwest National Laboratory since the issuing of the M2 milestone has focused its efforts to optimize the formation of a hydride rim on available zircaloy-4 cladding samples by controlling temperature variation and gas flow control during pre-hydriding treatments. Surface conditioning of the outside surface was also examined as a variable. The results of test indicate that much of the variability in the hydride thickness is due to temperature variation occurring in the furnaces as well as how hydrogen gas flows across the sample surface. Efforts to examine other alloys, gas concentrations, and different surface conditioning plan to be pursed in the next FY as more cladding samples become available

  9. AIR PASSIVATION OF METAL HYDRIDE BEDS FOR WASTE DISPOSAL

    SciTech Connect

    Klein, J; R. H. Hsu, R

    2007-07-02

    Metal hydride beds offer compact, safe storage of tritium. After metal hydride beds have reached the end of their useful life, the beds will replaced with new beds and the old beds prepared for disposal. One acceptance criteria for hydride bed waste disposal is that the material inside the bed not be pyrophoric. To determine the pyrophoric nature of spent metal hydride beds, controlled air ingress tests were performed. A simple gas handling manifold fitted with pressure transducers and a calibrated volume were used to introduce controlled quantities of air into a metal hydride bed and the bed temperature rise monitored for reactivity with the air. A desorbed, 4.4 kg titanium prototype hydride storage vessel (HSV) produced a 4.4 C internal temperature rise upon the first air exposure cycle and a 0.1 C temperature rise upon a second air exposure. A total of 346 scc air was consumed by the bed (0.08 scc per gram Ti). A desorbed, 9.66 kg LaNi{sub 4.25}Al{sub 0.75} prototype storage bed experienced larger temperature rises over successive cycles of air ingress and evacuation. The cycles were performed over a period of days with the bed effectively passivated after the 12th cycle. Nine to ten STP-L of air reacted with the bed producing both oxidized metal and water.

  10. Novel fuel cell stack with coupled metal hydride containers

    NASA Astrophysics Data System (ADS)

    Liu, Zhixiang; Li, Yan; Bu, Qingyuan; Guzy, Christopher J.; Li, Qi; Chen, Weirong; Wang, Cheng

    2016-10-01

    Air-cooled, self-humidifying hydrogen fuel cells are often used for backup and portable power sources, with a metal hydride used as the hydrogen storage material. To provide a stable hydrogen flow to the fuel cell stack, heat must be provided to the metal hydride. Conventionally, the heat released from the exothermic reaction of hydrogen and oxygen in the fuel cell stack to the exhaust air is used to heat a separate metal hydride container. In this case, the heat is only partially used instead of being more closely coupled because of the heat transfer resistances in the system. To achieve better heat integration, a novel scheme is proposed whereby hydrogen storage and single fuel cells are more closely coupled. Based on this idea, metal hydride containers in the form of cooling plates were assembled between each pair of cells in the stack so that the heat could be directly transferred to a metal hydride container of much larger surface-to-volume ratio than conventional separate containers. A heat coupled fuel cell portable power source with 10 cells and 11 metal hydride containers was constructed and the experimental results show that this scheme is beneficial for the heat management of fuel cell stack.

  11. Automated dispenser

    SciTech Connect

    Hollen, R.M.; Stalnaker, N.D.

    1989-04-06

    An automated dispenser having a conventional pipette attached to an actuating cylinder through a flexible cable for delivering precise quantities of a liquid through commands from remotely located computer software. The travel of the flexible cable is controlled by adjustable stops and a locking shaft. The pipette can be positioned manually or by the hands of a robot. 1 fig.

  12. Automating Finance

    ERIC Educational Resources Information Center

    Moore, John

    2007-01-01

    In past years, higher education's financial management side has been riddled with manual processes and aging mainframe applications. This article discusses schools which had taken advantage of an array of technologies that automate billing, payment processing, and refund processing in the case of overpayment. The investments are well worth it:…

  13. Terminal Hydride in [FeFe]-Hydrogenase Model Has Lower Potential for H2 Production Than the Isomeric Bridging Hydride

    PubMed Central

    Barton, Bryan E.; Rauchfuss, Thomas B.

    2008-01-01

    Protonation of the symmetrical tetraphosphine complexes Fe2(S2CnH2n)(CO)2(dppv)2 afforded the corresponding terminal hydrides, establishing that even symmetrical diiron(I) dithiolates undergo protonation at terminal sites. The terminal hydride [HFe2(S2C3H6)(CO)2(dppv)2]+ was found to catalyze proton reduction at potentials 200 mV milder than the isomeric bridging hydride, thereby establishing a thermodynamic advantage for catalysis operating via terminal hydride. The azadithiolate protonates to afford, [Fe2[(SCH2)2NH2](CO)2(dppv)2]+, [HFe2[(SCH2)2NH](CO)2−(dppv)2]+, and [HFe2[(SCH2)2NH2](CO)2(dppv)2]2+, depending on conditions. PMID:18333613

  14. A quantitative phase field model for hydride precipitation in zirconium alloys: Part II. Modeling of temperature dependent hydride precipitation

    NASA Astrophysics Data System (ADS)

    Xiao, Zhihua; Hao, Mingjun; Guo, Xianghua; Tang, Guoyi; Shi, San-Qiang

    2015-04-01

    A quantitative free energy functional developed in Part I (Shi and Xiao, 2014 [1]) was applied to model temperature dependent δ-hydride precipitation in zirconium in real time and real length scale. At first, the effect of external tensile load on reorientation of δ-hydrides was calibrated against experimental observations, which provides a modification factor for the strain energy in free energy formulation. Then, two types of temperature-related problems were investigated. In the first type, the effect of temperature transient was studied by cooling the Zr-H system at different cooling rates from high temperature while an external tensile stress was maintained. At the end of temperature transients, the average hydride size as a function of cooling rate was compared to experimental data. In the second type, the effect of temperature gradients was studied in a one or two dimensional temperature field. Different boundary conditions were applied. The results show that the hydride precipitation concentrated in low temperature regions and that it eventually led to the formation of hydride blisters in zirconium. A brief discussion on how to implement the hysteresis of hydrogen solid solubility on hydride precipitation and dissolution in the developed phase field scheme is also presented.

  15. Chemical Hydride Slurry for Hydrogen Production and Storage

    SciTech Connect

    McClaine, Andrew W

    2008-09-30

    The purpose of this project was to investigate and evaluate the attractiveness of using a magnesium chemical hydride slurry as a hydrogen storage, delivery, and production medium for automobiles. To fully evaluate the potential for magnesium hydride slurry to act as a carrier of hydrogen, potential slurry compositions, potential hydrogen release techniques, and the processes (and their costs) that will be used to recycle the byproducts back to a high hydrogen content slurry were evaluated. A 75% MgH2 slurry was demonstrated, which was just short of the 76% goal. This slurry is pumpable and storable for months at a time at room temperature and pressure conditions and it has the consistency of paint. Two techniques were demonstrated for reacting the slurry with water to release hydrogen. The first technique was a continuous mixing process that was tested for several hours at a time and demonstrated operation without external heat addition. Further work will be required to reduce this design to a reliable, robust system. The second technique was a semi-continuous process. It was demonstrated on a 2 kWh scale. This system operated continuously and reliably for hours at a time, including starts and stops. This process could be readily reduced to practice for commercial applications. The processes and costs associated with recycling the byproducts of the water/slurry reaction were also evaluated. This included recovering and recycling the oils of the slurry, reforming the magnesium hydroxide and magnesium oxide byproduct to magnesium metal, hydriding the magnesium metal with hydrogen to form magnesium hydride, and preparing the slurry. We found that the SOM process, under development by Boston University, offers the lowest cost alternative for producing and recycling the slurry. Using the H2A framework, a total cost of production, delivery, and distribution of $4.50/kg of hydrogen delivered or $4.50/gge was determined. Experiments performed at Boston

  16. Influence of uranium hydride oxidation on uranium metal behaviour

    SciTech Connect

    Patel, N.; Hambley, D.; Clarke, S.A.; Simpson, K.

    2013-07-01

    This work addresses concerns that the rapid, exothermic oxidation of active uranium hydride in air could stimulate an exothermic reaction (burning) involving any adjacent uranium metal, so as to increase the potential hazard arising from a hydride reaction. The effect of the thermal reaction of active uranium hydride, especially in contact with uranium metal, does not increase in proportion with hydride mass, particularly when considering large quantities of hydride. Whether uranium metal continues to burn in the long term is a function of the uranium metal and its surroundings. The source of the initial heat input to the uranium, if sufficient to cause ignition, is not important. Sustained burning of uranium requires the rate of heat generation to be sufficient to offset the total rate of heat loss so as to maintain an elevated temperature. For dense uranium, this is very difficult to achieve in naturally occurring circumstances. Areas of the uranium surface can lose heat but not generate heat. Heat can be lost by conduction, through contact with other materials, and by convection and radiation, e.g. from areas where the uranium surface is covered with a layer of oxidised material, such as burned-out hydride or from fuel cladding. These rates of heat loss are highly significant in relation to the rate of heat generation by sustained oxidation of uranium in air. Finite volume modelling has been used to examine the behaviour of a magnesium-clad uranium metal fuel element within a bottle surrounded by other un-bottled fuel elements. In the event that the bottle is breached, suddenly, in air, it can be concluded that the bulk uranium metal oxidation reaction will not reach a self-sustaining level and the mass of uranium oxidised will likely to be small in relation to mass of uranium hydride oxidised. (authors)

  17. Fatigue crack growth in lithium hydride

    SciTech Connect

    Healy, T.E.

    1993-09-01

    Subcritical fatigue crack growth, from cyclic tensile loading, was demonstrated in warm pressed Polycrystalline lithium hydride. Experiments were performed with cyclic tension-tension crack opening (mode I) loads applied to a pre-cracked compact type specimen in an argon environment at a temperature of 21C (70F). The fatigue crack growth was found to occur between 7.56 {times} 10{sup {minus}ll} M/cycle (2.98 {times} l0{sup {minus}9} in/cycle) and 2.35 {times} l0{sup {minus}8} m/cycle (9.24{times}10{sup {minus}7} in/cycle) for a range of stress intensity factors between 1.04 MPa{center_dot}{radical}m (0.95 ksi{center_dot}{radical}in) and 1.49 MPa{center_dot}{radical}m (1.36 ksi{center_dot}{radical}in). The rate of fatigue crack growth from cyclic tensile loading was found to be in excess of crack growth from sustained loading at an equivalent stress intensity factor. Furthermore, a fatigue threshold was not evident from the acquired data.

  18. Transition-Metal Hydride Radical Cations.

    PubMed

    Hu, Yue; Shaw, Anthony P; Estes, Deven P; Norton, Jack R

    2016-08-10

    Transition-metal hydride radical cations (TMHRCs) are involved in a variety of chemical and biochemical reactions, making a more thorough understanding of their properties essential for explaining observed reactivity and for the eventual development of new applications. Generally, these species may be treated as the ones formed by one-electron oxidation of diamagnetic analogues that are neutral or cationic. Despite the importance of TMHRCs, the generally sensitive nature of these complexes has hindered their development. However, over the last four decades, many more TMHRCs have been synthesized, characterized, isolated, or hypothesized as reaction intermediates. This comprehensive review focuses on experimental studies of TMHRCs reported through the year 2014, with an emphasis on isolated and observed species. The methods used for the generation or synthesis of TMHRCs are surveyed, followed by a discussion about the stability of these complexes. The fundamental properties of TMHRCs, especially those pertaining to the M-H bond, are described, followed by a detailed treatment of decomposition pathways. Finally, reactions involving TMHRCs as intermediates are described. PMID:26828562

  19. Transition-Metal Hydride Radical Cations.

    PubMed

    Hu, Yue; Shaw, Anthony P; Estes, Deven P; Norton, Jack R

    2016-08-10

    Transition-metal hydride radical cations (TMHRCs) are involved in a variety of chemical and biochemical reactions, making a more thorough understanding of their properties essential for explaining observed reactivity and for the eventual development of new applications. Generally, these species may be treated as the ones formed by one-electron oxidation of diamagnetic analogues that are neutral or cationic. Despite the importance of TMHRCs, the generally sensitive nature of these complexes has hindered their development. However, over the last four decades, many more TMHRCs have been synthesized, characterized, isolated, or hypothesized as reaction intermediates. This comprehensive review focuses on experimental studies of TMHRCs reported through the year 2014, with an emphasis on isolated and observed species. The methods used for the generation or synthesis of TMHRCs are surveyed, followed by a discussion about the stability of these complexes. The fundamental properties of TMHRCs, especially those pertaining to the M-H bond, are described, followed by a detailed treatment of decomposition pathways. Finally, reactions involving TMHRCs as intermediates are described.

  20. Hydrides in Space: Past, Present, and Future

    NASA Astrophysics Data System (ADS)

    Lis, D. C.; Goldsmith, P. F.; Bergin, E. A.; Falgarone, E.; Gerin, M.; Roueff, E.

    2009-12-01

    One of the central questions of modern astrophysics concerns the life cycle of molecules in the Universe—from the diffuse interstellar medium to planetary systems—and the chemical pathways leading from simple atoms and diatomic molecules to complex organic species. In the past two decades, the Caltech Submillimeter Observatory (CSO) has contributed a number of key discoveries on these topics. Light hydrides are of particular interest for astrochemistry, as the basic building blocks of the chemical networks in both diffuse and dense clouds. Ongoing and planned submillimeter wide-field continuum surveys will yield hundreds of potential galactic targets suitable for detailed spectroscopic follow-ups. Recent advances in detector and digital spectrometer technologies promise to truly revolutionize further the field of high-resolution submillimeter spectroscopy and its application to the study of the life cycle of molecules. This will greatly improve our understanding of astrochemistry, astrobiology, the origin of life on Earth, and allow assessing the possibilities of life in other planetary systems.

  1. Hydrogen storage as a hydride. Citations from the International Aerospace Abstracts data base

    NASA Technical Reports Server (NTRS)

    Zollars, G. F.

    1980-01-01

    These citations from the international literature concern the storage of hydrogen in various metal hydrides. Binary and intermetallic hydrides are considered. Specific alloys discussed are iron titanium, lanthanium nickel, magnesium copper and magnesium nickel among others.

  2. Micro-scale fracture experiments on zirconium hydrides and phase boundaries

    NASA Astrophysics Data System (ADS)

    Chan, H.; Roberts, S. G.; Gong, J.

    2016-07-01

    Fracture properties of micro-scale zirconium hydrides and phase boundaries were studied using microcantilever testing methods. FIB-machined microcantilevers were milled on cross-sectional surfaces of hydrided samples, with the most highly-stressed regions within the δ-hydride film, within the α-Zr or along the Zr-hydride interface. Cantilevers were notched using the FIB and then tested in bending using a nanoindenter. Load-displacement results show that three types of cantilevers have distinct deformation properties. Zr cantilevers deformed plastically. Hydride cantilevers fractured after a small amount of plastic flow; the fracture toughness of the δ-hydride was found to be 3.3 ± 0.4 MPam1/2 and SEM examination showed transgranular cleavage on the fracture surfaces. Cantilevers notched at the Zr-hydride interface developed interfacial voids during loading, at loads considerably lower than that which initiate brittle fracture of hydrides.

  3. Ab Initio Thermochemistry and Elastic Properties of Alkaline Earth Hydrides

    NASA Astrophysics Data System (ADS)

    Hector, Louis, Jr.; Herbst, Jan; Wolf, Walter; Saxe, Paul

    2006-03-01

    In addition to comprising a scientifically interesting class of materials, the binary alkaline earth hydrides are important components of hydrogen sorption/desorption reactions. Of critical importance for predicting the thermodynamic stability of hydrides is the enthalpy of hydride formation, δH, which links the temperature and pressure of hydrogen sorption via the van't Hoff relation. We compare LDA and GGA predictions of the heats of formation and elastic properties of alkaline earth metals and their binary hydrides BeH2, MgH2, CaH2, SrH2, and BaH2 using a plane wave density functional method. Phonon calculations using the direct method enabled prediction of the zero point energies of each material and the 0K and 298K heats of formation. We also computed the 0K and 298K cohesive energies for the alkaline earth metals. Born effective charge tensors were computed via the Berry phase method and enabled prediction of the phonon dispersion curves with LO/TO zone center splittings. It was found that the LO/TO splittings have no effect on the computed zero point energies and heats of formation. The elastic constants were computed with a least squares fitting method using a set of sequentially-applied strains to improve the accuracy of each calculation. Comparison of results from the least squares methodology with prior results using the Hartree-Fock method suggest that the former is substantially more accurate for predicting hydride elastic properties.

  4. Multidimensional simulations of hydrides during fuel rod lifecycle

    NASA Astrophysics Data System (ADS)

    Stafford, D. S.

    2015-11-01

    In light water reactor fuel rods, waterside corrosion of zirconium-alloy cladding introduces hydrogen into the cladding, where it is slightly soluble. When the solubility limit is reached, the hydrogen precipitates into crystals of zirconium hydride which decrease the ductility of the cladding and may lead to cladding failure during dry storage or transportation events. The distribution of the hydride phase and the orientation of the crystals depend on the history of the spatial temperature and stress profiles in the cladding. In this work, we have expanded the existing hydride modeling capability in the BISON fuel performance code with the goal of predicting both global and local effects on the radial, azimuthal and axial distribution of the hydride phase. We compare results from 1D simulations to published experimental data. We demonstrate the new capability by simulating in 2D a fuel rod throughout a lifecycle that includes irradiation, short-term storage in the spent fuel pool, drying, and interim storage in a dry cask. Using the 2D simulations, we present qualitative predictions of the effects of the inter-pellet gap and the drying conditions on the growth of a hydride rim.

  5. Sodium-based hydrides for thermal energy applications

    NASA Astrophysics Data System (ADS)

    Sheppard, D. A.; Humphries, T. D.; Buckley, C. E.

    2016-04-01

    Concentrating solar-thermal power (CSP) with thermal energy storage (TES) represents an attractive alternative to conventional fossil fuels for base-load power generation. Sodium alanate (NaAlH4) is a well-known sodium-based complex metal hydride but, more recently, high-temperature sodium-based complex metal hydrides have been considered for TES. This review considers the current state of the art for NaH, NaMgH3- x F x , Na-based transition metal hydrides, NaBH4 and Na3AlH6 for TES and heat pumping applications. These metal hydrides have a number of advantages over other classes of heat storage materials such as high thermal energy storage capacity, low volume, relatively low cost and a wide range of operating temperatures (100 °C to more than 650 °C). Potential safety issues associated with the use of high-temperature sodium-based hydrides are also addressed.

  6. The effect of stress state on zirconium hydride reorientation

    NASA Astrophysics Data System (ADS)

    Cinbiz, Mahmut Nedim

    Prior to storage in a dry-cask facility, spent nuclear fuel must undergo a vacuum drying cycle during which the spent fuel rods are heated up to elevated temperatures of ≤ 400°C to remove moisture the canisters within the cask. As temperature increases during heating, some of the hydride particles within the cladding dissolve while the internal gas pressure in fuel rods increases generating multi-axial hoop and axial stresses in the closed-end thin-walled cladding tubes. As cool-down starts, the hydrogen in solid solution precipitates as hydride platelets, and if the multiaxial stresses are sufficiently large, the precipitating hydrides reorient from their initial circumferential orientation to radial orientation. Radial hydrides can severely embrittle the spent nuclear fuel cladding at low temperature in response to hoop stress loading. Because the cladding can experience a range of stress states during the thermo-mechanical treatment induced during vacuum drying, this study has investigated the effect of stress state on the process of hydride reorientation during controlled thermo-mechanical treatments utilizing the combination of in situ X-ray diffraction and novel mechanical testing analyzed by the combination of metallography and finite element analysis. The study used cold worked and stress relieved Zircaloy-4 sheet containing approx. 180 wt. ppm hydrogen as its material basis. The failure behavior of this material containing radial hydrides was also studied over a range of temperatures. Finally, samples from reactor-irradiated cladding tubes were examined by X-ray diffraction using synchrotron radiation. To reveal the stress state effect on hydride reorientation, the critical threshold stress to reorient hydrides was determined by designing novel mechanical test samples which produce a range of stress states from uniaxial to "near-equibiaxial" tension when a load is applied. The threshold stress was determined after thermo-mechanical treatments by

  7. Electrochemical and chemical routes to hydride loss from an iridium dihydride.

    PubMed

    Walden, A G; Kumar, A; Lease, N; Goldman, A S; Miller, A J M

    2016-06-14

    With a view towards replacing sacrificial hydrogen acceptors in alkane dehydrogenation catalysis, electrochemical methods for oxidative activation of a pincer-ligated iridium hydride intermediate were explored. A 1H(+)/2e(-) oxidation process was observed in THF solvent, with net hydride loss leading to a reactive cationic intermediate that can be trapped by chloride. Analogous reactivity was observed with the concerted hydride transfer reagent Ph3C(+), connecting chemical and electrochemical hydride loss pathways. PMID:26979786

  8. Automated lithocell

    NASA Astrophysics Data System (ADS)

    Englisch, Andreas; Deuter, Armin

    1990-06-01

    Integration and automation have gained more and more ground in modern IC-manufacturing. It is difficult to make a direct calculation of the profit these investments yield. On the other hand, the demands to man, machine and technology have increased enormously of late; it is not difficult to see that only by means of integration and automation can these demands be coped with. Here are some salient points: U the complexity and costs incurred by the equipment and processes have got significantly higher . owing to the reduction of all dimensions, the tolerances within which the various process steps have to be carried out have got smaller and smaller and the adherence to these tolerances more and more difficult U the cycle time has become more and more important both for the development and control of new processes and, to a great extent, for a rapid and reliable supply to the customer. In order that the products be competitive under these conditions, all sort of costs have to be reduced and the yield has to be maximized. Therefore, the computer-aided control of the equipment and the process combined with an automatic data collection and a real-time SPC (statistical process control) has become absolutely necessary for successful IC-manufacturing. Human errors must be eliminated from the execution of the various process steps by automation. The work time set free in this way makes it possible for the human creativity to be employed on a larger scale in stabilizing the processes. Besides, a computer-aided equipment control can ensure the optimal utilization of the equipment round the clock.

  9. A study of advanced magnesium-based hydride and development of a metal hydride thermal battery system

    NASA Astrophysics Data System (ADS)

    Zhou, Chengshang

    Metal hydrides are a group of important materials known as energy carriers for renewable energy and thermal energy storage. A concept of thermal battery based on advanced metal hydrides is studied for heating and cooling of cabins in electric vehicles. The system utilizes a pair of thermodynamically matched metal hydrides as energy storage media. The hot hydride that is identified and developed is catalyzed MgH2 due to its high energy density and enhanced kinetics. TiV0.62Mn1.5, TiMn2, and LaNi5 alloys are selected as the matching cold hydride. A systematic experimental survey is carried out in this study to compare a wide range of additives including transitions metals, transition metal oxides, hydrides, intermetallic compounds, and carbon materials, with respect to their effects on dehydrogenation properties of MgH2. The results show that additives such as Ti and V-based metals, hydride, and certain intermetallic compounds have strong catalytic effects. Solid solution alloys of magnesium are exploited as a way to destabilize magnesium hydride thermodynamically. Various elements are alloyed with magnesium to form solid solutions, including indium and aluminum. Thermodynamic properties of the reactions between the magnesium solid solution alloys and hydrogen are investigated, showing that all the solid solution alloys that are investigated in this work have higher equilibrium hydrogen pressures than that of pure magnesium. Cyclic stability of catalyzed MgH2 is characterized and analyzed using a PCT Sievert-type apparatus. Three systems, including MgH2-TiH 2, MgH2-TiMn2, and MgH2-VTiCr, are examined. The hydrogenating and dehydrogenating kinetics at 300°C are stable after 100 cycles. However, the low temperature (25°C to 150°C) hydrogenation kinetics suffer a severe degradation during hydrogen cycling. Further experiments confirm that the low temperature kinetic degradation can be mainly related the extended hydrogenation-dehydrogenation reactions. Proof

  10. High-Spin Cobalt Hydrides for Catalysis

    SciTech Connect

    Holland, Patrick L.

    2013-08-29

    Organometallic chemists have traditionally used catalysts with strong-field ligands that give low-spin complexes. However, complexes with a weak ligand field have weaker bonds and lower barriers to geometric changes, suggesting that they may lead to more rapid catalytic reactions. Developing our understanding of high-spin complexes requires the use of a broader range of spectroscopic techniques, but has the promise of changing the mechanism and/or selectivity of known catalytic reactions. These changes may enable the more efficient utilization of chemical resources. A special advantage of cobalt and iron catalysts is that the metals are more abundant and cheaper than those currently used for major industrial processes that convert unsaturated organic molecules and biofeedstocks into useful chemicals. This project specifically evaluated the potential of high-spin cobalt complexes for small-molecule reactions for bond rearrangement and cleavage reactions relevant to hydrocarbon transformations. We have learned that many of these reactions proceed through crossing to different spin states: for example, high-spin complexes can flip one electron spin to access a lower-energy reaction pathway for beta-hydride elimination. This reaction enables new, selective olefin isomerization catalysis. The high-spin cobalt complexes also cleave the C-O bond of CO2 and the C-F bonds of fluoroarenes. In each case, the detailed mechanism of the reaction has been determined. Importantly, we have discovered that the cobalt catalysts described here give distinctive selectivities that are better than known catalysts. These selectivities come from a synergy between supporting ligand design and electronic control of the spin-state crossing in the reactions.

  11. Iron Hydride Detection and Intramolecular Hydride Transfer in a Synthetic Model of Mono-Iron Hydrogenase with a CNS Chelate.

    PubMed

    Durgaprasad, Gummadi; Xie, Zhu-Lin; Rose, Michael J

    2016-01-19

    We report the identification and reactivity of an iron hydride species in a synthetic model complex of monoiron hydrogenase. The hydride complex is derived from a phosphine-free CNS chelate that includes a Fe-C(NH)(═O) bond (carbamoyl) as a mimic of the active site iron acyl. The reaction of [((O═)C(HN)N(py)S(Me))Fe(CO)2(Br)] (1) with NaHBEt3 generates the iron hydride intermediate [((O═)C(HN)N(py)S(Me))Fe(H)(CO)2] (2; δFe-H = -5.08 ppm). Above -40 °C, the hydride species extrudes CH3S(-) via intramolecular hydride transfer, which is stoichiometrically trapped in the structurally characterized dimer μ2-(CH3S)2-[((O═)C(HN)N(Ph))Fe(CO)2]2 (3). Alternately, when activated by base ((t)BuOK), 1 undergoes desulfurization to form a cyclometalated species, [((O═)C(NH)NC(Ph))Fe(CO)2] (5); derivatization of 5 with PPh3 affords the structurally characterized species [((O═)C(NH)NC)Fe(CO)(PPh3)2] (6), indicating complex 6 as the common intermediate along each pathway of desulfurization.

  12. Investigation of metal hydride materials as hydrogen reservoirs for metal-hydrogen batteries

    NASA Technical Reports Server (NTRS)

    ONISCHAK

    1976-01-01

    The performance and suitability of various metal hydride materials were examined for use as possible hydrogen storage reservoirs for secondary metal-hydrogen batteries. Lanthanum pentanickel hydride appears as a probable candidate in terms of stable hydrogen supply under feasible thermal conditions. A kinetic model describing the decomposition rate data of the hydride has been developed.

  13. The coordination chemistry of organo-hydride donors: new prospects for efficient multi-electron reduction.

    PubMed

    McSkimming, Alex; Colbran, Stephen B

    2013-06-21

    In biological reduction processes the dihydronicotinamides NAD(P)H often transfer hydride to an unsaturated substrate bound within an enzyme active site. In many cases, metal ions in the active site bind, polarize and thereby activate the substrate to direct attack by hydride from NAD(P)H cofactor. This review looks more widely at the metal coordination chemistry of organic donors of hydride ion--organo-hydrides--such as dihydronicotinamides, other dihydropyridines including Hantzsch's ester and dihydroacridine derivatives, those derived from five-membered heterocycles including the benzimidazolines and benzoxazolines, and all-aliphatic hydride donors such as hexadiene and hexadienyl anion derivatives. The hydride donor properties--hydricities--of organo-hydrides and how these are affected by metal ions are discussed. The coordination chemistry of organo-hydrides is critically surveyed and the use of metal-organo-hydride systems in electrochemically-, photochemically- and chemically-driven reductions of unsaturated organic and inorganic (e.g. carbon dioxide) substrates is highlighted. The sustainable electrocatalytic, photochemical or chemical regeneration of organo-hydrides such as NAD(P)H, including for driving enzyme-catalysed reactions, is summarised and opportunities for development are indicated. Finally, new prospects are identified for metal-organo-hydride systems as catalysts for organic transformations involving 'hydride-borrowing' and for sustainable multi-electron reductions of unsaturated organic and inorganic substrates directly driven by electricity or light or by renewable reductants such as formate/formic acid. PMID:23507957

  14. Hydrogen storage in fullerenes and in an organic hydride

    SciTech Connect

    Wang, J.C.; Murphy, R.W.; Chen, F.C.; Loutfy, R.O.; Veksler, E.; Li, W.

    1998-05-29

    While the authors have demonstrated the importance and usefulness of thermal management to the hydrogen storage in fullerenes, their recent effort has concentrated on materials improvement and physical model development. In this paper, they report the results of this effort as follows: (1) Liquid phase hydrogenation of fullerenes indicated that more than 6 wt% capacity can be obtained at 180 C, 350--400 psi; (2) Dehydrogenation of fullerenes hydrides below 225 C was demonstrated using an Ir-based P-C-P pincer complex catalyst; (3) Cyclic hydrogenation and dehydrogenation tests of an organic hydride at 7 wt% capacity were conducted at 180--260 C; and (4) Physical models developed for fullerenes were determined to be applicable to this organic hydride (with much smaller activation energies).

  15. Metal hydride hydrogen compression: Recent advances and future prospects

    DOE PAGES

    Bowman, Jr., Robert C.; Yartys, Volodymyr A.; Lototskyy, Mykhaylo V.; Linkov, Vladimir; Grant, David; Stuart, Alastair; Eriksen, Jon; Denys, Roman

    2016-03-17

    Metal hydride (MH) thermal sorption compression is one of the more important applications of the metal hydrides. The present paper reviews recent advances in the field based on the analysis of the fundamental principles of this technology. The performances when boosting hydrogen pressure, along with two- and three-step compression units are analyzed. The paper includes also a theoretical modeling of a two-stage compressor aimed at both describing the performance of the experimentally studied systems, but, also, on their optimization and design of more advanced MH compressors. Business developments in the field are reviewed for the Norwegian company HYSTORSYS AS andmore » the South African Institute for Advanced Materials Chemistry. Finally, future prospects are outlined presenting the role of the metal hydride compression in the overall development of the hydrogen driven energy systems. Lastly, the work is based on the analysis of the development of the technology in Europe, USA and South Africa.« less

  16. CO2 hydrogenation on a metal hydride surface.

    PubMed

    Kato, Shunsuke; Borgschulte, Andreas; Ferri, Davide; Bielmann, Michael; Crivello, Jean-Claude; Wiedenmann, Daniel; Parlinska-Wojtan, Magdalena; Rossbach, Peggy; Lu, Ye; Remhof, Arndt; Züttel, Andreas

    2012-04-28

    The catalytic hydrogenation of CO(2) at the surface of a metal hydride and the corresponding surface segregation were investigated. The surface processes on Mg(2)NiH(4) were analyzed by in situ X-ray photoelectron spectroscopy (XPS) combined with thermal desorption spectroscopy (TDS) and mass spectrometry (MS), and time-of-flight secondary ion mass spectrometry (ToF-SIMS). CO(2) hydrogenation on the hydride surface during hydrogen desorption was analyzed by catalytic activity measurement with a flow reactor, a gas chromatograph (GC) and MS. We conclude that for the CO(2) methanation reaction, the dissociation of H(2) molecules at the surface is not the rate controlling step but the dissociative adsorption of CO(2) molecules on the hydride surface. PMID:22433948

  17. A new heat storage system using metal hydrides

    NASA Astrophysics Data System (ADS)

    Ono, S.; Kawamura, M.; Ishido, Y.; Akiba, E.; Higano, S.

    The development of a prototype chemical heat storage system, designed for the accumulation of fairly high temperature (300 - 400 C) waste heat, and called the Hydriding Heat Storage system is presented. Mg2Ni hydride is used as the high temperature heat storing medium, and LaNi5H6 is used as a reservoir for the hydrogen released from the heat storing medium. The system has been in development since 1976, and a 2000 kcal heat capacity prototype system is to be completed by 1982. Basic investigations, i.e., reaction kinetics of absorption and desorption, and heat transfer characteristics of the hydride and/or the metal powder packed bed, are described.

  18. Photoelectron spectroscopy of boron aluminum hydride cluster anions

    SciTech Connect

    Wang, Haopeng; Zhang, Xinxing; Ko, Yeon Jae; Gantefoer, Gerd; Bowen, Kit H. E-mail: kiran@mcneese.edu; Li, Xiang; Kiran, Boggavarapu E-mail: kiran@mcneese.edu; Kandalam, Anil K.

    2014-04-28

    Boron aluminum hydride clusters are studied through a synergetic combination of anion photoelectron spectroscopy and density functional theory based calculations. Boron aluminum hydride cluster anions, B{sub x}Al{sub y}H{sub z}{sup −}, were generated in a pulsed arc cluster ionization source and identified by time-of-flight mass spectrometry. After mass selection, their photoelectron spectra were measured by a magnetic bottle-type electron energy analyzer. The resultant photoelectron spectra as well as calculations on a selected series of stoichiometries reveal significant geometrical changes upon substitution of aluminum atoms by boron atoms.

  19. Ab-initio study of transition metal hydrides

    SciTech Connect

    Sharma, Ramesh; Shukla, Seema Dwivedi, Shalini Sharma, Yamini

    2014-04-24

    We have performed ab initio self consistent calculations based on Full potential linearized augmented plane wave (FP-LAPW) method to investigate the optical and thermal properties of yttrium hydrides. From the band structure and density of states, the optical absorption spectra and specific heats have been calculated. The band structure of Yttrium metal changes dramatically due to hybridization of Y sp orbitals with H s orbitals and there is a net charge transfer from metal to hydrogen site. The electrical resistivity and specific heats of yttrium hydrides are lowered but the thermal conductivity is slightly enhanced due to increase in scattering from hydrogen sites.

  20. METHOD OF PREPARING SINTERED ZIRCONIUM METAL FROM ITS HYDRIDES

    DOEpatents

    Angier, R.P.

    1958-02-11

    The invention relates to the preparation of metal shapes from zirconium hydride by powder metallurgical techniques. The zirconium hydride powder which is to be used for this purpose can be prepared by rendering massive pieces of crystal bar zirconium friable by heat treatment in purified hydrogen. This any then be ground into powder and powder can be handled in the air without danger of it igniting. It may then be compacted in the normal manner by being piaced in a die. The compact is sintered under vacuum conditions preferably at a temperature ranging from 1200 to 1300 deg C and for periods of one to three hours.

  1. Hydride Reduction by a Sodium Hydride–Iodide Composite

    PubMed Central

    Too, Pei Chui; Chan, Guo Hao; Tnay, Ya Lin

    2016-01-01

    Abstract Sodium hydride (NaH) is widely used as a Brønsted base in chemical synthesis and reacts with various Brønsted acids, whereas it rarely behaves as a reducing reagent through delivery of the hydride to polar π electrophiles. This study presents a series of reduction reactions of nitriles, amides, and imines as enabled by NaH in the presence of LiI or NaI. This remarkably simple protocol endows NaH with unprecedented and unique hydride‐donor chemical reactivity. PMID:26878823

  2. Copper(I)-Catalyzed Allylic Substitutions with a Hydride Nucleophile.

    PubMed

    Nguyen, T N Thanh; Thiel, Niklas O; Pape, Felix; Teichert, Johannes F

    2016-05-20

    An easily accessible copper(I)/N-heterocyclic carbene (NHC) complex enables a regioselective hydride transfer to allylic bromides, an allylic reduction. The resulting aryl- and alkyl-substituted branched α-olefins, which are valuable building blocks for synthesis, are obtained in good yields and regioselectivity. A commercially available silane, (TMSO)2Si(Me)H, is employed as hydride source. This protocol offers a unified alternative to the established metal-catalyzed allylic substitutions with carbon nucleophiles, as no adaption of the catalyst to the nature of the nucleophile is required. PMID:27151495

  3. Method for preparing hydride configurations and reactive metal surfaces

    DOEpatents

    Silver, G.L.

    1984-05-18

    A method for preparing reactive metal surfaces, particularly uranium surfaces is disclosed, whereby the metal is immediately reactive to hydrogen gas at room temperature and low pressure. The metal surfaces are first pretreated by exposure to an acid which forms an adherent hydride-bearing composition on the metal surface. Subsequent heating of the pretreated metal at a temperature sufficient to decompose the hydride coating in vacuum or inert gas renders the metal surface instantaneously reactive to hydrogen gas at room temperature and low pressure.

  4. Phase I. Lanthanum-based Start Materials for Hydride Batteries

    SciTech Connect

    Gschneidner, K. A.; Schmidt, F. A.; Frerichs, A. E.; Ament, K. A.

    2013-08-20

    The purpose of Phase I of this work is to focus on developing a La-based start material for making nickel-metal (lanthanum)-hydride batteries based on our carbothermic-silicon process. The goal is to develop a protocol for the manufacture of (La1-xRx)(Ni1-yMy)(Siz), where R is a rare earth metal and M is a non-rare earth metal, to be utilized as the negative electrode in nickel-metal hydride (NiMH) rechargeable batteries.

  5. Exploring "aerogen-hydride" interactions between ZOF2 (Z = Kr, Xe) and metal hydrides: An ab initio study

    NASA Astrophysics Data System (ADS)

    Esrafili, Mehdi D.; Mohammadian-Sabet, Fariba

    2016-06-01

    In this work, a new σ-hole interaction formed between ZOF2 (Z = Kr and Xe) as the Lewis acid and a series of metal-hydrides HMX (M = Be, Mg, Zn and X = H, F, CN, CH3) is reported. The nature of this interaction, called "aerogen-hydride" interaction, is unveiled by molecular electrostatic potential, non-covalent interaction, quantum theory of atoms in molecules and natural bond orbital analyses. Our results indicate that the aerogen-hydride interactions are quite strong and can be comparable in strength to other σ-hole bonds. An important charge-transfer interaction is also associated with the formation of OF2Z⋯HMX complexes.

  6. Uranium Hydride Nucleation Kinetics: Effects of Oxide Thickness and Vacuum Outgassing

    SciTech Connect

    David F. Teter; Robert J. Hanrahan; Christopher J. Wetteland

    2001-03-01

    Many factors such as impurities in the oxide and metal, microstructure, gas impurities, and oxide thickness may influence the rate and location of the nucleation of hydride on uranium. This work has concentrated on isolating one of these variables, the oxide thickness, and measuring the effect of the oxide thickness on uranium hydride nucleation. Uranium samples, all from the same lot, were prepared with different oxide thicknesses. The oxide thickness was measured using Rutherford Backscattering Spectroscopy. Oxidized uranium samples were then exposed to ultra-high purity hydrogen gas under constant volume conditions. Decreases in pressure indicated hydrogen uptake by the sample. The time for hydride nucleation--as well as the maximum hydriding rate--was then calculated from the measured decreases in pressure. The time to nucleate a hydride was found to increase whereas the maximum hydriding rate was found to decrease with increasing oxide thickness. The density of hydride pits also decreased with increasing oxide thickness. The observed results support the argument that the nucleation of hydride is controlled somewhat by diffusion of hydrogen through the oxide layer. Vacuum outgassing of samples, thereby removing the oxide impurities and keeping the oxide thickness constant, dramatically decreased the nucleation time and increased the maximum hydriding rate. Again, this is consistent with hydrogen diffusion through the oxide controlling the nucleation of hydride. Impurities in the oxide layer can decrease the diffusivity of hydrogen and therefore delay the nucleation of uranium hydride.

  7. Fabrication of lotus-type porous copper through thermal decomposition of titanium hydride

    NASA Astrophysics Data System (ADS)

    Ide, T.; Nakajima, H.

    2009-05-01

    Lotus-type porous copper was fabricated by unidirectional solidification through thermal decomposition of titanium hydride. Effects of additive method and additive amount of titanium hydride on pore formation were investigated. The porosity of lotus copper depends on additive method and additive amount of titanium hydride. The pore formation effectively occurs in the method that titanium hydride decomposes in molten copper. For all the additive methods of titanium hydride, the porosity increases and pore diameter does not change with increasing additive amount of titanium hydride. While, for adding large amount of titanium hydride, the porosity became constant. This is because hydrogen solubility in liquid phase does not change owing to bubbling of hydrogen gas.

  8. Process of forming a sol-gel/metal hydride composite

    DOEpatents

    Congdon, James W.

    2009-03-17

    An external gelation process is described which produces granules of metal hydride particles contained within a sol-gel matrix. The resulting granules are dimensionally stable and are useful for applications such as hydrogen separation and hydrogen purification. An additional coating technique for strengthening the granules is also provided.

  9. Catalytic arene hydrogenation using early transition metal hydride compounds

    SciTech Connect

    Rothwell, I.P.

    1993-03-15

    Progress was achieved in four areas: development of surface supported Group 5 metal organometallic compounds for catalytic arene hydrogenation, isolation and reactivity of possible intermediates in catalytic arene hydrogenation, synthesis and characterization of new d[sup 0]-metal hydride compounds, and stoichiometric reactivity of d[sup 0] metal hydrido, aryloxide compounds. (DLC)

  10. Structure Properties of Ternary Hydrides Ni3AlHx

    NASA Astrophysics Data System (ADS)

    Pan, Yi-wei; Zhang, Wen-qing; Chen, Nan-xian

    1996-09-01

    The structure properties of the ternary hydrides Ni3AlHx are studied by use of the interatomic pair potentials obtained from the first principles electronic structure calculation and Chen-Mobius 3-dimensional lattice inversion method. The heat of formation and volume expansion of the hydrogenized systems are investigated.

  11. 5-year review of Metal Hydride Center of Excellence.

    SciTech Connect

    Keller, Jay O.; Klebanoff, Leonard E.

    2010-05-01

    The purpose of the DOE Metal Hydride Center of Excellence (MHCoE) is to develop hydrogen storage materials with engineering properties that allow the use of these materials in a way that satisfies the DOE/FreedomCAR Program system requirements for automotive hydrogen storage. The Center is a multidisciplinary and collaborative effort with technical interactions divided into two broad areas: (1) mechanisms and modeling (which provide a theoretically driven basis for pursuing new materials) and (2) materials development (in which new materials are synthesized and characterized). Driving all of this work are the hydrogen storage system specifications outlined by the FreedomCAR Program for 2010 and 2015. The organization of the MHCoE during the past year is show in Figure 1. During the past year, the technical work was divided into four project areas. The purpose of the project areas is to organize the MHCoE technical work along appropriate and flexible technical lines. The four areas summarized are: (1) Project A - Destabilized Hydrides, The objective of this project is to controllably modify the thermodynamics of hydrogen sorption reactions in light metal hydrides using hydride destabilization strategies; (2) Project B - Complex Anionic Materials, The objective is to predict and synthesize highly promising new anionic hydride materials; (3) Project C - Amides/Imides Storage Materials, The objective of Project C is to assess the viability of amides and imides (inorganic materials containing NH{sub 2} and NH moieties, respectively) for onboard hydrogen storage; and (4) Project D - Alane, AlH{sub 3}, The objective of Project D is to understand the sorption and regeneration properties of AlH{sub 3} for hydrogen storage.

  12. Inert blanketing of a hydride bed using typical grade protium

    SciTech Connect

    Klein, J.E.

    2015-03-15

    This paper describes the impact of 500 ppm (0.05%) impurities in protium on the absorption rate of a 9.66 kg LaNi{sub 4.25}Al{sub 0.75} (LANA0.75) metal hydride bed. The presence of 500 ppm or less inerts (i.e. non-hydrogen isotopes) can significantly impact hydrogen bed absorption rates. The impact on reducing absorption rates is significantly greater than predicted assuming uniform temperature, pressure, and compositions throughout the bed. Possible explanations are discussed. One possibility considered was the feed gas contained impurity levels higher than 500 ppm. It was shown that a level of 5000 ppm of inerts would have been necessary to fit the experimental result so this possibility wa dismissed. Another possibility is that the impurities in the protium supply reacted with the hydride material and partially poisoned the hydride. If the hydride were poisoned with CO or another impurity, the removal of the over-pressure gas in the bed would not be expected to allow the hydride loading of the bed to continue as the experimental results showed, so this possibility was also dismissed. The last possibility questions the validity of the calculations. It is assumed in all the calculations that the gas phase composition, temperature, and pressure are uniform throughout the bed. These assumptions are less valid for large beds where there can be large temperature, pressure, and composition gradients throughout the bed. Eventually the impact of 0.05% inerts in protium on bed absorption rate is shown and explained in terms of an increase in inert partial pressure as the bed was loaded.

  13. Composite Materials for Hazard Mitigation of Reactive Metal Hydrides.

    SciTech Connect

    Pratt, Joseph William; Cordaro, Joseph Gabriel; Sartor, George B.; Dedrick, Daniel E.; Reeder, Craig L.

    2012-02-01

    In an attempt to mitigate the hazards associated with storing large quantities of reactive metal hydrides, polymer composite materials were synthesized and tested under simulated usage and accident conditions. The composites were made by polymerizing vinyl monomers using free-radical polymerization chemistry, in the presence of the metal hydride. Composites with vinyl-containing siloxane oligomers were also polymerized with and without added styrene and divinyl benzene. Hydrogen capacity measurements revealed that addition of the polymer to the metal hydride reduced the inherent hydrogen storage capacity of the material. The composites were found to be initially effective at reducing the amount of heat released during oxidation. However, upon cycling the composites, the mitigating behavior was lost. While the polymer composites we investigated have mitigating potential and are physically robust, they undergo a chemical change upon cycling that makes them subsequently ineffective at mitigating heat release upon oxidation of the metal hydride. Acknowledgements The authors would like to thank the following people who participated in this project: Ned Stetson (U.S. Department of Energy) for sponsorship and support of the project. Ken Stewart (Sandia) for building the flow-through calorimeter and cycling test stations. Isidro Ruvalcaba, Jr. (Sandia) for qualitative experiments on the interaction of sodium alanate with water. Terry Johnson (Sandia) for sharing his expertise and knowledge of metal hydrides, and sodium alanate in particular. Marcina Moreno (Sandia) for programmatic assistance. John Khalil (United Technologies Research Corp) for insight into the hazards of reactive metal hydrides and real-world accident scenario experiments. Summary In an attempt to mitigate and/or manage hazards associated with storing bulk quantities of reactive metal hydrides, polymer composite materials (a mixture of a mitigating polymer and a metal hydride) were synthesized and tested

  14. Hydriding performances and modeling of a small-scale ZrCo bed

    SciTech Connect

    Koo, D.; Lee, J.; Park, J.; Paek, S.; Chung, H.; Chang, M.H.; Yun, S.H.; Cho, S.; Jung, K.J.

    2015-03-15

    In order to evaluate the performance of the hydriding of a ZrCo bed, a small-scale getter bed of ZrCo was designed and fabricated. The results show that the hydriding time at room temperature was somewhat shorter than that at higher temperatures of ZrCo and that the performance of hydriding at low temperatures of ZrCo was better than that at high temperatures of ZrCo. The experimental results of the hydrogen pressure of hydriding (ZrCoH{sub 2.8}) at different temperatures were in agreement with the computed values using a numerical modeling equation but with a small difference during the first 10 minutes of the hydriding of ZrCo. The model is based on the Kozeny-Carman equation. The effect of a helium blanket on hydriding was measured and analyzed. The hydriding with no helium blanket in the primary vessel of ZrCo is much faster than that with a helium blanket. The hydriding at a helium concentration of 8% is slower than that at 0%. As the helium concentration increases, the hydriding of ZrCo decreases. The experimental results of the hydriding with 0 %, 4%, and 8% of helium concentration are in agreement with the calculated values but with minimal differences during the first 10 minutes.

  15. Hydride structures in Ti-aluminides subjected to high temperature and hydrogen pressure charging conditions

    NASA Technical Reports Server (NTRS)

    Legzdina, D.; Robertson, I. M.; Birnbaum, H. K.

    1991-01-01

    The distribution and chemistry of hydrides produced in single and dual phase alloys with a composition near TiAl have been investigated by using a combination of TEM and X-ray diffraction techniques. The alloys were exposed at 650 C to 13.8 MPa of gaseous H2 for 100 h. In the single-phase gamma alloy, large hydrides preferentially nucleated on the grain boundaries and matrix dislocations and a population of small hydrides was distributed throughout the matrix. X-ray and electron diffraction patterns from these hydrides indicated that they have an fcc structure with a lattice parameter of 0.45 nm. EDAX analysis of the hydrides showed that they were enriched in Ti. The hydrides were mostly removed by vacuum annealing at 800 C for 24 h. On dissolution of the hydrides, the chemistry of hydride-free regions of the grain boundary returned to the matrix composition, suggesting that Ti segregation accompanied the hydride formation rather than Ti enrichment causing the formation of the hydride.

  16. Efficient catalysis by MgCl2 in hydrogen generation via hydrolysis of Mg-based hydride prepared by hydriding combustion synthesis.

    PubMed

    Zhao, Zelun; Zhu, Yunfeng; Li, Liquan

    2012-06-01

    Magnesium chloride efficiently catalyzed the hydrolysis of Mg-based hydride prepared by hydriding combustion synthesis. Hydrogen yield of 1635 mL g(-1) was obtained (MgH(2)), i.e. with 96% conversion in 30 min at 303 K.

  17. Tribochemical Decomposition of Light Ionic Hydrides at Room Temperature.

    PubMed

    Nevshupa, Roman; Ares, Jose Ramón; Fernández, Jose Francisco; Del Campo, Adolfo; Roman, Elisa

    2015-07-16

    Tribochemical decomposition of magnesium hydride (MgH2) induced by deformation at room temperature was studied on a micrometric scale, in situ and in real time. During deformation, a near-full depletion of hydrogen in the micrometric affected zone is observed through an instantaneous (t < 1 s) and huge release of hydrogen (3-50 nmol/s). H release is related to a nonthermal decomposition process. After deformation, the remaining hydride is thermally decomposed at room temperature, exhibiting a much slower rate than during deformation. Confocal-microRaman spectroscopy of the mechanically affected zone was used to characterize the decomposition products. Decomposition was enhanced through the formation of the distorted structure of MgH2 with reduced crystal size by mechanical deformation.

  18. ALUMINUM HYDRIDE: A REVERSIBLE STORAGE MATERIAL FOR HYDROGEN STORAGE

    SciTech Connect

    Zidan, R; Christopher Fewox, C; Brenda Garcia-Diaz, B; Joshua Gray, J

    2009-01-09

    One of the challenges of implementing the hydrogen economy is finding a suitable solid H{sub 2} storage material. Aluminium (alane, AlH{sub 3}) hydride has been examined as a potential hydrogen storage material because of its high weight capacity, low discharge temperature, and volumetric density. Recycling the dehydride material has however precluded AlH{sub 3} from being implemented due to the large pressures required (>10{sup 5} bar H{sub 2} at 25 C) and the thermodynamic expense of chemical synthesis. A reversible cycle to form alane electrochemically using NaAlH{sub 4} in THF been successfully demonstrated. Alane is isolated as the triethylamine (TEA) adduct and converted to unsolvated alane by heating under vacuum. To complete the cycle, the starting alanate can be regenerated by direct hydrogenation of the dehydrided alane and the alkali hydride (NaH) This novel reversible cycle opens the door for alane to fuel the hydrogen economy.

  19. Composition and function in AB{sub 5} hydride electrodes

    SciTech Connect

    Adzic, G.D.; Johnson, J.R.; Mukerjee, S.; McBreen, J.; Reilly, J.J.

    1996-12-31

    Multicomponent AB, hydrides are attractive replacements for the cadmium electrode in nickel - cadmium batteries. This paper is concerned with the differential effects of Ni substitution by cobalt, Mn and Al upon electrode corrosion and capacity, using alloys having the generic composition of Al(NiCoMnAl){sub 5} and similar to those used for the preparation of commercial battery electrodes. The corrosion of metal hydride electrodes is determined by two factors, surface passivation due to the presence of surface oxides or hydroxides and crystal lattice expansion - contraction the charge - discharge process. Thus, in addition to determining the effects of Ni substitution we will also address the question of whether an observed change is due to a change lattice expansion or to a change in surface passivation, e.g. the formation a corrosion resistant oxide layer.

  20. Detecting low concentrations of plutonium hydride with magnetization measurements

    SciTech Connect

    Kim, Jae Wook; Mun, E. D.; Baiardo, J. P.; Zapf, V. S.; Mielke, C. H.; Smith, A. I.; Richmond, S.; Mitchell, J.; Schwartz, D.

    2015-02-07

    We report the formation of plutonium hydride in 2 at. % Ga-stabilized δ-Pu, with 1 at. % H charging. We show that magnetization measurements are a sensitive, quantitative measure of ferromagnetic plutonium hydride against the nonmagnetic background of plutonium. It was previously shown that at low hydrogen concentrations, hydrogen forms super-abundant vacancy complexes with plutonium, resulting in a bulk lattice contraction. Here, we use magnetization, X-ray, and neutron diffraction measurements to show that in addition to forming vacancy complexes, at least 30% of the H atoms bond with Pu to precipitate PuH{sub x} on the surface of the sample with x ∼ 1.9. We observe magnetic hysteresis loops below 40 K with magnetic remanence, consistent with ferromagnetic PuH{sub 1.9}.

  1. A low tritium hydride bed inventory estimation technique

    SciTech Connect

    Klein, J.E.; Shanahan, K.L.; Baker, R.A.; Foster, P.J.

    2015-03-15

    Low tritium hydride beds were developed and deployed into tritium service in Savannah River Site. Process beds to be used for low concentration tritium gas were not fitted with instrumentation to perform the steady-state, flowing gas calorimetric inventory measurement method. Low tritium beds contain less than the detection limit of the IBA (In-Bed Accountability) technique used for tritium inventory. This paper describes two techniques for estimating tritium content and uncertainty for low tritium content beds to be used in the facility's physical inventory (PI). PI are performed periodically to assess the quantity of nuclear material used in a facility. The first approach (Mid-point approximation method - MPA) assumes the bed is half-full and uses a gas composition measurement to estimate the tritium inventory and uncertainty. The second approach utilizes the bed's hydride material pressure-composition-temperature (PCT) properties and a gas composition measurement to reduce the uncertainty in the calculated bed inventory.

  2. Structural isotope effects in metal hydrides and deuterides.

    PubMed

    Ting, Valeska P; Henry, Paul F; Kohlmann, Holger; Wilson, Chick C; Weller, Mark T

    2010-03-01

    Historically the extraction of high-quality crystallographic information from inorganic samples having high hydrogen contents, such as metal hydrides, has involved preparing deuterated samples prior to study using neutron powder diffraction. We demonstrate, through direct comparison of the crystal structure refinements of the binary hydrides SrH(2) and BaH(2) with their deuteride analogues at 2 K and as a function of temperature, that precise and accurate structural information can be obtained from rapid data collections from samples containing in excess of 60 at.% hydrogen using modern high-flux, medium resolution, continuous wavelength neutron powder diffraction instruments. Furthermore, observed isotope-effects in the extracted lattice parameters and atomic positions illustrate the importance of investigating compounds in their natural hydrogenous form whenever possible.

  3. The free-energy barrier to hydride transfer across a dipalladium complex.

    PubMed

    Vanston, C R; Kearley, G J; Edwards, A J; Darwish, T A; de Souza, N R; Ramirez-Cuesta, A J; Gardiner, M G

    2015-01-01

    We use density-functional theory molecular dynamics (DFT-MD) simulations to determine the hydride transfer coordinate between palladium centres of the crystallographically observed terminal hydride locations, Pd-Pd-H, originally postulated for the solution dynamics of the complex bis-NHC dipalladium hydride [{(MesIm)2CH2}2Pd2H][PF6], and then calculate the free-energy along this coordinate. We estimate the transfer barrier-height to be about 20 kcal mol(-1) with a hydride transfer rate in the order of seconds at room temperature. We validate our DFT-MD modelling using inelastic neutron scattering which reveals anharmonicity of the hydride environment that is so pronounced that there is complete failure of the harmonic model for the hydride ligand. The simulations are extended to high temperature to bring the H-transfer to a rate that is accessible to the simulation technique. PMID:25652724

  4. FEASIBILITY OF RECYCLING PLUTONIUM AND MINOR ACTINIDES IN LIGHT WATER REACTORS USING HYDRIDE FUEL

    SciTech Connect

    Greenspan, Ehud; Todreas, Neil; Taiwo, Temitope

    2009-03-10

    The objective of this DOE NERI program sponsored project was to assess the feasibility of improving the plutonium (Pu) and minor actinide (MA) recycling capabilities of pressurized water reactors (PWRs) by using hydride instead of oxide fuels. There are four general parts to this assessment: 1) Identifying promising hydride fuel assembly designs for recycling Pu and MAs in PWRs 2) Performing a comprehensive systems analysis that compares the fuel cycle characteristics of Pu and MA recycling in PWRs using the promising hydride fuel assembly designs identified in Part 1 versus using oxide fuel assembly designs 3) Conducting a safety analysis to assess the likelihood of licensing hydride fuel assembly designs 4) Assessing the compatibility of hydride fuel with cladding materials and water under typical PWR operating conditions Hydride fuel was found to offer promising transmutation characteristics and is recommended for further examination as a possible preferred option for recycling plutonium in PWRs.

  5. The free-energy barrier to hydride transfer across a dipalladium complex.

    PubMed

    Vanston, C R; Kearley, G J; Edwards, A J; Darwish, T A; de Souza, N R; Ramirez-Cuesta, A J; Gardiner, M G

    2015-01-01

    We use density-functional theory molecular dynamics (DFT-MD) simulations to determine the hydride transfer coordinate between palladium centres of the crystallographically observed terminal hydride locations, Pd-Pd-H, originally postulated for the solution dynamics of the complex bis-NHC dipalladium hydride [{(MesIm)2CH2}2Pd2H][PF6], and then calculate the free-energy along this coordinate. We estimate the transfer barrier-height to be about 20 kcal mol(-1) with a hydride transfer rate in the order of seconds at room temperature. We validate our DFT-MD modelling using inelastic neutron scattering which reveals anharmonicity of the hydride environment that is so pronounced that there is complete failure of the harmonic model for the hydride ligand. The simulations are extended to high temperature to bring the H-transfer to a rate that is accessible to the simulation technique.

  6. Effect of thermo-mechanical cycling on zirconium hydride reorientation studied in situ with synchrotron X-ray diffraction

    NASA Astrophysics Data System (ADS)

    Colas, Kimberly B.; Motta, Arthur T.; Daymond, Mark R.; Almer, Jonathan D.

    2013-09-01

    The circumferential hydrides normally present in nuclear reactor fuel cladding after reactor exposure may dissolve during drying for dry storage and re-precipitate when cooled under load into a more radial orientation, which could embrittle the fuel cladding. It is necessary to study the rates and conditions under which hydride reorientation may happen in order to assess fuel integrity in dry storage. The objective of this work is to study the effect of applied stress and thermal cycling on the hydride morphology in cold-worked stress-relieved Zircaloy-4 by combining conventional metallography and in situ X-ray diffraction techniques. Metallography is used to study the evolution of hydride morphology after several thermo-mechanical cycles. In situ X-ray diffraction performed at the Advanced Photon Source synchrotron provides real-time information on the process of hydride dissolution and precipitation under stress during several thermal cycles. The detailed study of diffracted intensity, peak position and full-width at half-maximum provides information on precipitation kinetics, elastic strains and other characteristics of the hydride precipitation process. The results show that thermo-mechanical cycling significantly increases the radial hydride fraction as well as the hydride length and connectivity. The radial hydrides are observed to precipitate at a lower temperature than circumferential hydrides. Variations in the magnitude and range of hydride strains due to reorientation and cycling have also been observed. These results are discussed in light of existing models and experiments on hydride reorientation. The study of hydride elastic strains during precipitation shows marked differences between circumferential and radial hydrides, which can be used to investigate the reorientation process. Cycling under stress above the threshold stress for reorientation drastically increases both the reoriented hydride fraction and the hydride size. The reoriented hydride

  7. Gas chromatographic separation of hydrogen isotopes using metal hydrides

    SciTech Connect

    Aldridge, F.T.

    1984-05-09

    A study was made of the properties of metal hydrides which may be suitable for use in chromatographic separation of hydrogen isotopes. Sixty-five alloys were measured, with the best having a hydrogen-deuterium separation factor of 1.35 at 60/sup 0/C. Chromatographic columns using these alloys produced deuterium enrichments of up to 3.6 in a single pass, using natural abundance hydrogen as starting material. 25 references, 16 figures, 4 tables.

  8. Ground-state energy and relativistic corrections for positronium hydride

    SciTech Connect

    Bubin, Sergiy; Varga, Kalman

    2011-07-15

    Variational calculations of the ground state of positronium hydride (HPs) are reported, including various expectation values, electron-positron annihilation rates, and leading relativistic corrections to the total and dissociation energies. The calculations have been performed using a basis set of 4000 thoroughly optimized explicitly correlated Gaussian basis functions. The relative accuracy of the variational energy upper bound is estimated to be of the order of 2x10{sup -10}, which is a significant improvement over previous nonrelativistic results.

  9. METHOD OF MAKING DELTA ZIRCONIUM HYDRIDE MONOLITHIC MODERATOR PIECES

    DOEpatents

    Vetrano, J.B.

    1962-01-23

    A method is given for preparing large, sound bodies of delta zirconium hydride. The method includes the steps of heating a zirconium body to a temperature of not less than l000 deg C, providing a hydrogen atmosphere for the zirconium body at a pressure not greater than one atmosphere, reducing the temperature slowly to 800 deg C at such a rate that cracks do not form while maintaining the hydrogen pressure substantially constant, and cooling in an atmosphere of hydrogen. (AEC)

  10. SPECIATION OF ARSENIC COMPOUNDS IN DRINKING WATER BY CAPILLARY ELECTROPHORESIS WITH HYDRODYNAMICALLY MODIFIED ELECTROOSMOTIC FLOW DETECTED THROUGH HYDRIDE GENERATION INDUCTIVELY COUPLED PLASMA MASS...

    EPA Science Inventory

    Capillary electrophoresis (CE) was used to speciate four environmentally significant, toxic forms of arsenic: arsenite, arsenate, monomethylarsonic acid and dimethylarsinic acid. Hydride generation (HG) was used to convert the species into their respective hydrides. The hydride s...

  11. SPECIATION OF ARSENIC COMPOUNDS IN DRINKING WATER BY CAPILLARY ELECTROPHORESIS WITH HYDRODYNAMICALLY MODIFIED ELECTROOSMOTIC FLOW DETECTED THROUGH HYDRIDE GENERATION INDUCTIVELY COUPLED PLASMA MASS..

    EPA Science Inventory

    Capillary electrophoresis (CE) was used to speciate four environmentally significant, toxic forms of arsenic: arsenite, arsenate, monomethylarsonic acid and dimethylarsinic acid. Hydride generation (HG) was used to convert the species into their respective hydrides. The hydride ...

  12. High temperature metal hydrides as heat storage materials for solar and related applications.

    PubMed

    Felderhoff, Michael; Bogdanović, Borislav

    2009-01-01

    For the continuous production of electricity with solar heat power plants the storage of heat at a temperature level around 400 degrees C is essential. High temperature metal hydrides offer high heat storage capacities around this temperature. Based on Mg-compounds, these hydrides are in principle low-cost materials with excellent cycling stability. Relevant properties of these hydrides and their possible applications as heat storage materials are described.

  13. High Temperature Metal Hydrides as Heat Storage Materials for Solar and Related Applications

    PubMed Central

    Felderhoff, Michael; Bogdanović, Borislav

    2009-01-01

    For the continuous production of electricity with solar heat power plants the storage of heat at a temperature level around 400 °C is essential. High temperature metal hydrides offer high heat storage capacities around this temperature. Based on Mg-compounds, these hydrides are in principle low-cost materials with excellent cycling stability. Relevant properties of these hydrides and their possible applications as heat storage materials are described. PMID:19333448

  14. Orbital-like motion of hydride ligands around low-coordinate metal centers.

    PubMed

    Ortuño, Manuel A; Vidossich, Pietro; Conejero, Salvador; Lledós, Agustí

    2014-12-15

    Hydrogen atoms in the coordination sphere of a transition metal are highly mobile ligands. Here, a new type of dynamic process involving hydrides has been characterized by computational means. This dynamic event consists of an orbital-like motion of hydride ligands around low-coordinate metal centers containing N-heterocyclic carbenes. The hydride movement around the carbene-metal-carbene axis is the lowest energy mode connecting energy equivalent isomers. This understanding provides crucial information for the interpretation of NMR spectra.

  15. Performance study of a hydrogen powered metal hydride actuator

    NASA Astrophysics Data System (ADS)

    Mainul Hossain Bhuiya, Md; Kim, Kwang J.

    2016-04-01

    A thermally driven hydrogen powered actuator integrating metal hydride hydrogen storage reactor, which is compact, noiseless, and able to generate smooth actuation, is presented in this article. To test the plausibility of a thermally driven actuator, a conventional piston type actuator was integrated with LaNi5 based hydrogen storage system. Copper encapsulation followed by compaction of particles into pellets, were adopted to improve overall thermal conductivity of the reactor. The operation of the actuator was thoroughly investigated for an array of operating temperature ranges. Temperature swing of the hydride reactor triggering smooth and noiseless actuation over several operating temperature ranges were monitored for quantification of actuator efficiency. Overall, the actuator generated smooth and consistent strokes during repeated cycles of operation. The efficiency of the actuator was found to be as high as 13.36% for operating a temperature range of 20 °C-50 °C. Stress-strain characteristics, actuation hysteresis etc were studied experimentally. Comparison of stress-strain characteristics of the proposed actuator with traditional actuators, artificial muscles and so on was made. The study suggests that design modification and use of high pressure hydride may enhance the performance and broaden the application horizon of the proposed actuator in future.

  16. Air passivation of metal hydride beds for waste disposal

    SciTech Connect

    Klein, J. E.; Hsu, R. H.

    2008-07-15

    One waste acceptance criteria for hydride bed waste disposal is that the bed be non-pyrophoric. Batch-wise air ingress tests were performed which determined the amount of air consumed by a metal hydride bed. A desorbed, 4.4 kg titanium prototype hydride storage vessel (HSV) produced a 4.4 deg.C internal temperature rise upon the first air exposure cycle and a 0.1 deg.C temperature rise upon a second air exposure. A total of 346 sec air was consumed by the bed (0.08 sec per gram Ti). A desorbed, 9.66 kg LaNi{sub 4.25}Al{sub 0.75} prototype storage bed experienced larger temperature rises over successive cycles of air ingress and evacuation. The cycles were performed over a period of days with the bed effectively passivated after the 12. cycle. Nine to ten STP-L of air reacted with the bed producing both oxidized metal and water. (authors)

  17. Hydrides and dimers of C(58) fullerenes: structures and stabilities.

    PubMed

    Bihlmeier, Angela; Klopper, Wim

    2009-02-21

    A density functional theory (DFT) study of fullerene hydrides C(58)H(2x) (2x = 2,4,...,34) is presented. We consider two relevant isomers, the most stable classical isomer C(58)-C(3v) and the energetically close non-classical isomer C(58)-C(s), which contains a heptagonal ring. Iterative pairwise addition of hydrogen atoms to only the energetically favoured products of the previous iteration yields a set of low energy structures for each composition. From these, low energy pathways are extracted. Analysis of the C-H binding energies along the reaction pathways is performed to identify particularly stable hydride compositions. These are 2x = 6,18,28,34 for C(58)-C(s) and 2x = 10,26,30 for C(58)-C(3v). We therefore suggest that these hydrides are preferably formed in hydrogenation experiments and that it should be possible to distinguish between the two C(58) isomers. We further investigate the dimer formation based on low energy C(58)H(2) addition patterns. All dimers show binding energies of more than 1 eV whereby dispersion interactions play a significant role. Both C(58) isomers can also undergo further aggregation. This leads us to the conclusion that in the absence of other reactant molecules C(58) will form intercage bonds and cannot be isolated in molecular form, which is in accordance with experimental results.

  18. Initial report on molecular modeling of metal hydrides

    SciTech Connect

    Mansour, K.A.; Wolf, R.J.

    1990-12-01

    Metal hydrides are for hydrogen/tritium storage and handling. Examples of such metals and metal alloys include palladium (Pd) and lanthanum-nickel-aluminum (LaNiAl). These materials have the unique properties of being hydrogen/tritium sponges''. (1) Metal hydrides absorb enormous quantities of hydrogen/tritium, where the hydrogen density is much larger than in liquid hydrogen. There is a unique problem that develops in tritium storage, mainly due to its radioactive decay into helium. Helium is inert (i.e., non-reactive due to its closed shell electronic structure) and tends to remain in the hydride once it forms there. A clear understanding of such a phenomenon (and how to minimize it and possibly get rid of it) is the foundation of our current work. Our main focus is to fundamentally understand hydrogen/tritium behavior and interactions in these metals, so that we can design better and more efficient tritium handling materials and facilities. As a by-product of this work, we will able to apply our state-of-the-art techniques to study other problems involving hydrogen/tritium and helium in SRS materials. Examples include hydrogen and helium interactions in lithium-aluminum reactor targets, tritium reservoirs, and stainless steel reactor tanks. 2 tabs., 4 figs., 10 refs.

  19. Investigation of long term stability in metal hydrides

    NASA Technical Reports Server (NTRS)

    Marmaro, Roger W.; Lynch, Franklin E.; Chandra, Dhanesh; Lambert, Steve; Sharma, Archana

    1991-01-01

    It is apparent from the literature and the results of this study that cyclic degradation of AB(5) type metal hydrides varies widely according to the details of how the specimens are cycled. The Rapid Cycle Apparatus (RCA) used produced less degradation in 5000 to 10000 cycles than earlier work with a Slow Cycle Apparatus (SCA) produced in 1500 cycles. Evidence is presented that the 453 K (356 F) Thermal Aging (TA) time spent in the saturated condition causes hydride degradation. But increasing the cooling (saturation) period in the RCA did not greatly increase the rate of degradation. It appears that TA type degradation is secondary at low temperatures to another degradation mechanism. If rapid cycles are less damaging than slow cycles when the saturation time is equal, the rate of hydriding/dehydriding may be an important factor. The peak temperatures in the RCA were about 30 C lower than the SCA. The difference in peak cycle temperatures (125 C in the SCA, 95 C in RCA) cannot explain the differences in degradation. TA type degradation is similar to cyclic degradation in that nickel peaks and line broadening are observed in X ray diffraction patterns after either form of degradation.

  20. Pressure-driven formation and stabilization of superconductive chromium hydrides

    PubMed Central

    Yu, Shuyin; Jia, Xiaojing; Frapper, Gilles; Li, Duan; Oganov, Artem R.; Zeng, Qingfeng; Zhang, Litong

    2015-01-01

    Chromium hydride is a prototype stoichiometric transition metal hydride. The phase diagram of Cr-H system at high pressures remains largely unexplored due to the challenges in dealing with the high activation barriers and complications in handing hydrogen under pressure. We have performed an extensive structural study on Cr-H system at pressure range 0 ∼ 300 GPa using an unbiased structure prediction method based on evolutionary algorithm. Upon compression, a number of hydrides are predicted to become stable in the excess hydrogen environment and these have compositions of Cr2Hn (n = 2–4, 6, 8, 16). Cr2H3, CrH2 and Cr2H5 structures are versions of the perfect anti-NiAs-type CrH with ordered tetrahedral interstitial sites filled by H atoms. CrH3 and CrH4 exhibit host-guest structural characteristics. In CrH8, H2 units are also identified. Our study unravels that CrH is a superconductor at atmospheric pressure with an estimated transition temperature (T c) of 10.6 K, and superconductivity in CrH3 is enhanced by the metallic hydrogen sublattice with T c of 37.1 K at 81 GPa, very similar to the extensively studied MgB2. PMID:26626579

  1. Superconductivity of novel tin hydrides (SnnHm) under pressure

    NASA Astrophysics Data System (ADS)

    Mahdi Davari Esfahani, M.; Wang, Zhenhai; Oganov, Artem R.; Dong, Huafeng; Zhu, Qiang; Wang, Shengnan; Rakitin, Maksim S.; Zhou, Xiang-Feng

    2016-03-01

    With the motivation of discovering high-temperature superconductors, evolutionary algorithm USPEX is employed to search for all stable compounds in the Sn-H system. In addition to the traditional SnH4, new hydrides SnH8, SnH12 and SnH14 are found to be thermodynamically stable at high pressure. Dynamical stability and superconductivity of tin hydrides are systematically investigated. Im2-SnH8, C2/m-SnH12 and C2/m-SnH14 exhibit higher superconducting transition temperatures of 81, 93 and 97 K compared to the traditional compound SnH4 with Tc of 52 K at 200 GPa. An interesting bent H3-group in Im2-SnH8 and novel linear H in C2/m-SnH12 are observed. All the new tin hydrides remain metallic over their predicted range of stability. The intermediate-frequency wagging and bending vibrations have more contribution to electron-phonon coupling parameter than high-frequency stretching vibrations of H2 and H3.

  2. Superconductivity of novel tin hydrides (SnnHm) under pressure

    PubMed Central

    Mahdi Davari Esfahani, M.; Wang, Zhenhai; Oganov, Artem R.; Dong, Huafeng; Zhu, Qiang; Wang, Shengnan; Rakitin, Maksim S.; Zhou, Xiang-Feng

    2016-01-01

    With the motivation of discovering high-temperature superconductors, evolutionary algorithm USPEX is employed to search for all stable compounds in the Sn-H system. In addition to the traditional SnH4, new hydrides SnH8, SnH12 and SnH14 are found to be thermodynamically stable at high pressure. Dynamical stability and superconductivity of tin hydrides are systematically investigated. Im2-SnH8, C2/m-SnH12 and C2/m-SnH14 exhibit higher superconducting transition temperatures of 81, 93 and 97 K compared to the traditional compound SnH4 with Tc of 52 K at 200 GPa. An interesting bent H3–group in Im2-SnH8 and novel linear H in C2/m-SnH12 are observed. All the new tin hydrides remain metallic over their predicted range of stability. The intermediate-frequency wagging and bending vibrations have more contribution to electron-phonon coupling parameter than high-frequency stretching vibrations of H2 and H3. PMID:26964636

  3. Superconductivity of novel tin hydrides (SnnHm) under pressure

    NASA Astrophysics Data System (ADS)

    Mahdi Davari Esfahani, M.; Wang, Zhenhai; Oganov, Artem R.; Dong, Huafeng; Zhu, Qiang; Wang, Shengnan; Rakitin, Maksim S.; Zhou, Xiang-Feng

    2016-03-01

    With the motivation of discovering high-temperature superconductors, evolutionary algorithm USPEX is employed to search for all stable compounds in the Sn-H system. In addition to the traditional SnH4, new hydrides SnH8, SnH12 and SnH14 are found to be thermodynamically stable at high pressure. Dynamical stability and superconductivity of tin hydrides are systematically investigated. Im2-SnH8, C2/m-SnH12 and C2/m-SnH14 exhibit higher superconducting transition temperatures of 81, 93 and 97 K compared to the traditional compound SnH4 with Tc of 52 K at 200 GPa. An interesting bent H3–group in Im2-SnH8 and novel linear H in C2/m-SnH12 are observed. All the new tin hydrides remain metallic over their predicted range of stability. The intermediate-frequency wagging and bending vibrations have more contribution to electron-phonon coupling parameter than high-frequency stretching vibrations of H2 and H3.

  4. Uranium metal reactions with hydrogen and water vapour and the reactivity of the uranium hydride produced

    SciTech Connect

    Godfrey, H.; Broan, C.; Goddard, D.; Hodge, N.; Woodhouse, G.; Diggle, A.; Orr, R.

    2013-07-01

    Within the nuclear industry, metallic uranium has been used as a fuel. If this metal is stored in a hydrogen rich environment then the uranium metal can react with the hydrogen to form uranium hydride which can be pyrophoric when exposed to air. The UK National Nuclear Laboratory has been carrying out a programme of research for Sellafield Limited to investigate the conditions required for the formation and persistence of uranium hydride and the reactivity of the material formed. The experimental results presented here have described new results characterising uranium hydride formed from bulk uranium at 50 and 160 C. degrees and measurements of the hydrolysis kinetics of these materials in liquid water. It has been shown that there is an increase in the proportion of alpha-uranium hydride in material formed at lower temperatures and that there is an increase in the rate of reaction with water of uranium hydride formed at lower temperatures. This may at least in part be attributable to a difference in the reaction rate between alpha and beta-uranium hydride. A striking observation is the strong dependence of the hydrolysis reaction rate on the temperature of preparation of the uranium hydride. For example, the reaction rate of uranium hydride prepared at 50 C. degrees was over ten times higher than that prepared at 160 C. degrees at 20% extent of reaction. The decrease in reaction rate with the extent of reaction also depended on the temperature of uranium hydride preparation.

  5. Measurement and modeling of strain fields in zirconium hydrides precipitated at a stress concentration

    SciTech Connect

    Allen, Gregory B.; Kerr, Matthew; Daymond, Mark R.

    2012-10-23

    Hydrogen adsorption into zirconium, as a result of corrosion in aqueous environments, leads to the precipitation of a secondary brittle hydride phase. These hydrides tend to first form at stress concentrations such as fretting flaws or cracks in engineering components, potentially degrading the structural integrity of the component. One mechanism for component failure is a slow crack growth mechanism known as Delayed Hydride Cracking (DHC), where hydride fracture occurs followed by crack arrest in the ductile zirconium matrix. The current work employs both an experimental and a modeling approach to better characterize the effects and behavior of hydride precipitation at such stress concentrations. Strains around stress concentrations containing hydrides were mapped using High Energy X-ray Diffraction (HEXRD). These studies highlighted important differences in the behavior of the hydride phase and the surrounding zirconium matrix, as well as the strain associated with the precipitation of the hydride. A finite element model was also developed and compared to the X-ray strain mapping results. This model provided greater insight into details that could not be obtained directly from the experimental approaches, as well as providing a framework for future modeling to predict the effects of hydride precipitation under varied conditions.

  6. Automated External Defibrillator

    MedlinePlus

    ... from the NHLBI on Twitter. What Is an Automated External Defibrillator? An automated external defibrillator (AED) is a portable device that ... Institutes of Health Department of Health and Human Services USA.gov

  7. Oxygen Reduction Mechanism of Monometallic Rhodium Hydride Complexes.

    PubMed

    Halbach, Robert L; Teets, Thomas S; Nocera, Daniel G

    2015-08-01

    The reduction of O2 to H2O mediated by a series of electronically varied rhodium hydride complexes of the form cis,trans-Rh(III)Cl2H(CNAd)(P(4-X-C6H4)3)2 (2) (CNAd = 1-adamantylisocyanide; X = F (2a), Cl (2b), Me (2c), OMe (2d)) was examined through synthetic and kinetic studies. Rhodium(III) hydride 2 reacts with O2 to afford H2O with concomitant generation of trans-Rh(III)Cl3(CNAd)(P(4-X-C6H4)3)2 (3). Kinetic studies of the reaction of the hydride complex 2 with O2 in the presence of HCl revealed a two-term rate law consistent with an HX reductive elimination (HXRE) mechanism, where O2 binds to a rhodium(I) metal center and generates an η(2)-peroxo complex intermediate, trans-Rh(III)Cl(CNAd)(η(2)-O2)(P(4-X-C6H4)3)2 (4), and a hydrogen-atom abstraction (HAA) mechanism, which entails the direct reaction of O2 with the hydride. Experimental data reveal that the rate of reduction of O2 to H2O is enhanced by electron-withdrawing phosphine ligands. Complex 4 was independently prepared by the addition of O2 to trans-Rh(I)Cl(CNAd)(P(4-X-C6H4)3)2 (1). The reactivity of 4 toward HCl reveals that such peroxo complexes are plausible intermediates in the reduction of O2 to H2O. These results show that the given series of electronically varied rhodium(III) hydride complexes facilitate the reduction of O2 to H2O according to a two-term rate law comprising HXRE and HAA pathways and that the relative rates of these two pathways, which can occur simultaneously and competitively, can be systematically modulated by variation of the electronic properties of the ancillary ligand set. PMID:26168057

  8. Hydride affinities of cumulated, isolated, and conjugated dienes in acetonitrile.

    PubMed

    Zhu, Xiao-Qing; Liang, Hao; Zhu, Yan; Cheng, Jin-Pei

    2008-11-01

    The hydride affinities (defined as the enthalpy changes in this work) of 15 polarized dienes [five phenyl sulfone substituted allenes (1a), the corresponding five isolated dienes (1b), and the corresponding five conjugated dienes (1c)] in acetonitrile solution were determined by titration calorimetry for the first time. The results display that the hydride affinity scales of the 15 dienes in acetonitrile range from -71.6 to -73.9 kcal/mol for 1a, from -46.2 to -49.7 kcal/mol for 1b, and from -45.0 to -46.5 kcal/mol for 1c, which indicates that the hydride-obtaining abilities of the cumulated dienes (1a) are not only much larger than those of the corresponding conjugated dienes (1c) but also much larger than those of the corresponding isolated dienes (1b). The hydrogen affinities of the 15 dienes as well as the hydrogen affinities and the proton affinities of the radical anions of the dienes (1(-*)) in acetonitrile were also evaluated by using relative thermodynamic cycles according to Hess's law. The results show that (i) the hydrogen affinities of the neutral dienes 1 cover a range from -44.5 to -45.6 kcal/mol for 1a, from -20.4 to -21.4 kcal/mol for 1b, and from -17.3 to -18.5 kcal/mol for 1c; (ii) the hydrogen affinities of the radical anions of the dienes (1(-*)) in acetonitrile cover a range from -40.6 to -47.2 kcal/mol for 1a(-*), from -21.6 to -29.6 kcal/mol for 1b(-*), and from -10.0 to -15.4 kcal/mol for 1c(-*); (iii) the proton affinities of the 15 1a(-*) in acetonitrile cover a range from -97.0 to -100.6 kcal/mol for 1a(-*), from -77.8 to -83.4 kcal/mol for 1b(-*), and from -66.2 to -68.9 kcal/mol for 1c(-*). The main reasons for the great difference between the cumulated dienes and the corresponding isolated and conjugated dienes in the hydride affinity, hydrogen affinity, and proton affinity have been examined. It is evident that these experimental results should be quite valuable to facilitate the elucidation of the origins of the especially high

  9. Synthesis of Highly Active Mg-BASED Hydrides Using Hydriding Combustion Synthesis and NbF5 Additives

    NASA Astrophysics Data System (ADS)

    Chourashiya, M. G.; Park, C. N.; Park, C. J.

    2012-09-01

    Superiority of the hydriding combustion (HC) technique over conventional metallurgical approach to the synthesis of cost-effective Mg based hydrides, which show promise as hydrogen storage materials, is well known. In the present research, we report further improvements in HC prepared Mg-based materials, achieved by optimizing the preparative parameters of HC and by catalytic addition. Mg90-Ni60-C40 composites prepared using optimized processing parameters were ball-milled with NbF5 (10 h) and characterized for their micro-structural and hydriding properties. The ball-milled/catalyzed powder showed decreased crystallinity with CNTs on its surfaces. Surface area of the ball-milled powder decreased to almost half of the as-HC powder, while TG analysis revealed a four-fold decrease in the desorption temperature of the milled powder compared to that of the as-HC prepared powder. Activated samples achieved the maximum absorption/desorption limits (5.3 wt.%) at as low as 100°C, underlining the possibility of the use of these materials in portable hydrogen storage devices.

  10. Automation: triumph or trap?

    PubMed

    Smythe, M H

    1997-01-01

    Automation, a hot topic in the laboratory world today, can be a very expensive option. Those who are considering implementing automation can save time and money by examining the issues from the standpoint of an industrial/manufacturing engineer. The engineer not only asks what problems will be solved by automation, but what problems will be created. This article discusses questions that must be asked and answered to ensure that automation efforts will yield real and substantial payoffs.

  11. Workflow automation architecture standard

    SciTech Connect

    Moshofsky, R.P.; Rohen, W.T.

    1994-11-14

    This document presents an architectural standard for application of workflow automation technology. The standard includes a functional architecture, process for developing an automated workflow system for a work group, functional and collateral specifications for workflow automation, and results of a proof of concept prototype.

  12. Determination of fracture strength of δ-zirconium hydrides embedded in zirconium matrix at high temperatures

    NASA Astrophysics Data System (ADS)

    Kubo, T.; Kobayashi, Y.; Uchikoshi, H.

    2013-04-01

    The fracture strength of δ-zirconium hydrides embedded in a zirconium matrix was determined at temperatures between 25 °C and 250 °C by ring tensile tests using Zircaloy-2 tubes. Essentially all of the present hydrides in the tubes were re-oriented in the radial direction by a temperature cycling treatment and then tensile stress was applied perpendicular to the hydrides to ensure that brittle fracture would occur at the hydrides. The hydrides failed in a brittle manner below 100 °C where-as the zirconium matrix itself underwent ductile fracture without hydride cracking at temperatures above 200 °C under plane stress condition. Brittle fracture of the hydrides continued to occur at temperatures up to 250 °C under plane strain condition, suggesting that the upper limit temperature for hydride fracture, Tupper, was raised by the triaxial stress state under the plane strain condition. The apparent fracture strength of the hydrides, σhydridef, was determined at temperatures below Tupper from the measured fracture strength of the tubes, making a correction for the compressive transformation stress in the hydrides. σhydridef was about 710 MPa at temperatures between 25 °C and 250 °C at both plane stress and plane strain conditions. The temperature dependency was very small in this temperature range. Tupper was almost equivalent to the cross-over temperature between σhydridef and the ultimate tensile strength (UTS), which suggests that, at temperatures above Tupper, the zirconium matrix would undergo ductile fracture before the stress in the hydride is raised above σhydridef, since UTS is smaller than σhydridef.

  13. Shoe-String Automation

    SciTech Connect

    Duncan, M.L.

    2001-07-30

    Faced with a downsizing organization, serious budget reductions and retirement of key metrology personnel, maintaining capabilities to provide necessary services to our customers was becoming increasingly difficult. It appeared that the only solution was to automate some of our more personnel-intensive processes; however, it was crucial that the most personnel-intensive candidate process be automated, at the lowest price possible and with the lowest risk of failure. This discussion relates factors in the selection of the Standard Leak Calibration System for automation, the methods of automation used to provide the lowest-cost solution and the benefits realized as a result of the automation.

  14. Automation of industrial bioprocesses.

    PubMed

    Beyeler, W; DaPra, E; Schneider, K

    2000-01-01

    The dramatic development of new electronic devices within the last 25 years has had a substantial influence on the control and automation of industrial bioprocesses. Within this short period of time the method of controlling industrial bioprocesses has changed completely. In this paper, the authors will use a practical approach focusing on the industrial applications of automation systems. From the early attempts to use computers for the automation of biotechnological processes up to the modern process automation systems some milestones are highlighted. Special attention is given to the influence of Standards and Guidelines on the development of automation systems.

  15. Automation in Clinical Microbiology

    PubMed Central

    Ledeboer, Nathan A.

    2013-01-01

    Historically, the trend toward automation in clinical pathology laboratories has largely bypassed the clinical microbiology laboratory. In this article, we review the historical impediments to automation in the microbiology laboratory and offer insight into the reasons why we believe that we are on the cusp of a dramatic change that will sweep a wave of automation into clinical microbiology laboratories. We review the currently available specimen-processing instruments as well as the total laboratory automation solutions. Lastly, we outline the types of studies that will need to be performed to fully assess the benefits of automation in microbiology laboratories. PMID:23515547

  16. Combined on-board hydride slurry storage and reactor system and process for hydrogen-powered vehicles and devices

    SciTech Connect

    Brooks, Kriston P; Holladay, Jamelyn D; Simmons, Kevin L; Herling, Darrell R

    2014-11-18

    An on-board hydride storage system and process are described. The system includes a slurry storage system that includes a slurry reactor and a variable concentration slurry. In one preferred configuration, the storage system stores a slurry containing a hydride storage material in a carrier fluid at a first concentration of hydride solids. The slurry reactor receives the slurry containing a second concentration of the hydride storage material and releases hydrogen as a fuel to hydrogen-power devices and vehicles.

  17. Hydride-related degradation of spent-fuel cladding under repository conditions

    SciTech Connect

    Chung, H. M.

    2000-04-03

    This report summarizes results of an analysis of hydride-related degradation of commercial spent-nuclear-fuel cladding under repository conditions. Based on applicable laboratory data on critical stress intensity obtained under isothermal conditions, occurrence of delayed hydride cracking from the inner-diameter side of cladding is concluded to be extremely unlikely. The key process for potential initiation of delayed hydride cracking at the outer-diameter side is long-term microstructural evolution near the localized regions of concentrated hydrides, i.e., nucleation, growth, and cracking of hydride blisters. Such locally concentrated hydrides are, however, limited to some high-burnup cladding only, and the potential for crack initiation and propagation at the outer-diameter side is expected to be insignificant for most spent fuels. Some degree of hydride reorientation could occur in high-burnup spent-fuel cladding. However, even if hydride reorientation occurs, accompanying stress-rupture failure in spent-fuel cladding is unlikely to occur.

  18. Hydrogen storage material and process using graphite additive with metal-doped complex hydrides

    DOEpatents

    Zidan, Ragaiy; Ritter, James A.; Ebner, Armin D.; Wang, Jun; Holland, Charles E.

    2008-06-10

    A hydrogen storage material having improved hydrogen absorbtion and desorption kinetics is provided by adding graphite to a complex hydride such as a metal-doped alanate, i.e., NaAlH.sub.4. The incorporation of graphite into the complex hydride significantly enhances the rate of hydrogen absorbtion and desorption and lowers the desorption temperature needed to release stored hydrogen.

  19. Zirconium hydrides and Fe redistribution in Zr-2.5%Nb alloy under ion irradiation

    NASA Astrophysics Data System (ADS)

    Idrees, Y.; Yao, Z.; Cui, J.; Shek, G. K.; Daymond, M. R.

    2016-11-01

    Zr-2.5%Nb alloy is used to fabricate the pressure tubes of the CANDU reactor. The pressure tube is the primary pressure boundary for coolant in the CANDU design and is susceptible to delayed hydride cracking, reduction in fracture toughness upon hydride precipitation and potentially hydride blister formation. The morphology and nature of hydrides in Zr-2.5%Nb with 100 wppm hydrogen has been investigated using transmission electron microscopy. The effect of hydrides on heavy ion irradiation induced decomposition of the β phase has been reported. STEM-EDX mapping was employed to investigate the distribution of alloying elements. The results show that hydrides are present in the form of stacks of different sizes, with length scales from nano- to micro-meters. Heavy ion irradiation experiments at 250 °C on as-received and hydrided Zr-2.5%Nb alloy, show interesting effects of hydrogen on the irradiation induced redistribution of Fe. It was found that Fe is widely redistributed from the β phase into the α phase in the as-received material, however, the loss of Fe from the β phase and subsequent precipitation is retarded in the hydrided material. This preliminary work will further the current understanding of microstructural evolution of Zr based alloys in the presence of hydrogen.

  20. ALUMINUM HYDRIDE: A REVERSIBLE MATERIAL FOR HYDROGEN STORAGE

    SciTech Connect

    Fewox, C; Ragaiy Zidan, R; Brenda Garcia-Diaz, B

    2008-12-31

    Hydrogen storage is one of the greatest challenges for implementing the ever sought hydrogen economy. Here we report a novel cycle to reversibly form high density hydrogen storage materials such as aluminium hydride. Aluminium hydride (AlH{sub 3}, alane) has a hydrogen storage capacity of 10.1 wt% H{sub 2}, 149 kg H{sub 2}/m{sup 3} volumetric density and can be discharged at low temperatures (< 100 C). However, alane has been precluded from use in hydrogen storage systems because of the lack of practical regeneration methods; the direct hydrogenation of aluminium to form AlH{sub 3} requires over 10{sup 5} bars of hydrogen pressure at room temperature and there are no cost effective synthetic means. Here we show an unprecedented reversible cycle to form alane electrochemically, using alkali alanates (e.g. NaAlH{sub 4}, LiAlH{sub 4}) in aprotic solvents. To complete the cycle, the starting alanates can be regenerated by direct hydrogenation of the dehydrided alane and the alkali hydride being the other compound formed in the electrochemical cell. The process of forming NaAlH{sub 4} from NaH and Al is well established in both solid state and solution reactions. The use of adducting Lewis bases is an essential part of this cycle, in the isolation of alane from the mixtures of the electrochemical cell. Alane is isolated as the triethylamine (TEA) adduct and converted to pure, unsolvated alane by heating under vacuum.

  1. ALUMINUM HYDRIDE: A REVERSIBLE MATERIAL FOR HYDROGEN STORAGE

    SciTech Connect

    Zidan, R; Christopher Fewox, C; Brenda Garcia-Diaz, B; Joshua Gray, J

    2009-01-09

    Hydrogen storage is one of the challenges to be overcome for implementing the ever sought hydrogen economy. Here we report a novel cycle to reversibly form high density hydrogen storage materials such as aluminium hydride. Aluminium hydride (AlH{sub 3}, alane) has a hydrogen storage capacity of 10.1 wt% H{sub 2}, 149 kg H{sub 2}/m{sup 3} volumetric density and can be discharged at low temperatures (< 100 C). However, alane has been precluded from use in hydrogen storage systems because of the lack of practical regeneration methods. The direct hydrogenation of aluminium to form AlH{sub 3} requires over 10{sup 5} bars of hydrogen pressure at room temperature and there are no cost effective synthetic means. Here we show an unprecedented reversible cycle to form alane electrochemically, using alkali metal alanates (e.g. NaAlH{sub 4}, LiAlH{sub 4}) in aprotic solvents. To complete the cycle, the starting alanates can be regenerated by direct hydrogenation of the dehydrided alane and the alkali hydride being the other compound formed in the electrochemical cell. The process of forming NaAlH{sub 4} from NaH and Al is well established in both solid state and solution reactions. The use of adducting Lewis bases is an essential part of this cycle, in the isolation of alane from the mixtures of the electrochemical cell. Alane is isolated as the triethylamine (TEA) adduct and converted to pure, unsolvated alane by heating under vacuum.

  2. Mathematical modeling of the nickel/metal hydride battery system

    SciTech Connect

    Paxton, B K

    1995-09-01

    A group of compounds referred to as metal hydrides, when used as electrode materials, is a less toxic alternative to the cadmium hydroxide electrode found in nickel/cadmium secondary battery systems. For this and other reasons, the nickel/metal hydride battery system is becoming a popular rechargeable battery for electric vehicle and consumer electronics applications. A model of this battery system is presented. Specifically the metal hydride material, LaNi{sub 5}H{sub 6}, is chosen for investigation due to the wealth of information available in the literature on this compound. The model results are compared to experiments found in the literature. Fundamental analyses as well as engineering optimizations are performed from the results of the battery model. In order to examine diffusion limitations in the nickel oxide electrode, a ``pseudo 2-D model`` is developed. This model allows for the theoretical examination of the effects of a diffusion coefficient that is a function of the state of charge of the active material. It is found using present data from the literature that diffusion in the solid phase is usually not an important limitation in the nickel oxide electrode. This finding is contrary to the conclusions reached by other authors. Although diffusion in the nickel oxide active material is treated rigorously with the pseudo 2-D model, a general methodology is presented for determining the best constant diffusion coefficient to use in a standard one-dimensional battery model. The diffusion coefficients determined by this method are shown to be able to partially capture the behavior that results from a diffusion coefficient that varies with the state of charge of the active material.

  3. Improvement in thallium hydride generation using iodide and Rhodamine B.

    PubMed

    Picón, David; Carrero, Pablo; Valero, Maribel; de Peña, Yaneira Petit; Gutiérrez, Luís

    2015-05-01

    A continuous flow hydride generation atomic absorption spectrometry (CF-HG-AAS) system was used to study the enhancement effect of different substances for conventional chemical HG of thallium. At room temperature, the acidified sample solution containing the respective enhancement reagent merged with the aqueous NaBH4 solution. The generated thallium hydride was stripped from the eluent solution by the addition of a nitrogen flow and thereafter the bulk phases were separated in a gas-liquid separator. The main factors under study were concentration and type of enhancement reagent (Te, iodide added as KI, Rhodamine B, malachite green and crystal violet) and acid (HCl, H2SO4 or HNO3). Other parameters affecting the thallium hydride generation, such as: NaBH4 concentration, carrier gas flow rate, length of reaction-mixing coil and reagents flow rates, were studied and optimized. Among the enhancement reagents tested, the combination of Rhodamine B and iodide produced the best results. A linear response was obtained between the detection limit (LOD (3σ)) of 1.5μg L(-1) and 1000μg L(-1). The RSD% (n=10) for a solution containing 15μg L(-1) of Tl was 2.9%. The recoveries of thallium in environmental water samples by spiking the samples with 10 and 20µg L(-1) of Tl were in the 97.0-102.5% range. The accuracy for Tl determination was further confirmed by the analysis of a water standard reference material (1643e form NIST, USA). Finally, it was demonstrated that malachite green and crystal violet showed similar enhancement effect like Rhodamine B for thallium HG.

  4. Improvement in thallium hydride generation using iodide and Rhodamine B.

    PubMed

    Picón, David; Carrero, Pablo; Valero, Maribel; de Peña, Yaneira Petit; Gutiérrez, Luís

    2015-05-01

    A continuous flow hydride generation atomic absorption spectrometry (CF-HG-AAS) system was used to study the enhancement effect of different substances for conventional chemical HG of thallium. At room temperature, the acidified sample solution containing the respective enhancement reagent merged with the aqueous NaBH4 solution. The generated thallium hydride was stripped from the eluent solution by the addition of a nitrogen flow and thereafter the bulk phases were separated in a gas-liquid separator. The main factors under study were concentration and type of enhancement reagent (Te, iodide added as KI, Rhodamine B, malachite green and crystal violet) and acid (HCl, H2SO4 or HNO3). Other parameters affecting the thallium hydride generation, such as: NaBH4 concentration, carrier gas flow rate, length of reaction-mixing coil and reagents flow rates, were studied and optimized. Among the enhancement reagents tested, the combination of Rhodamine B and iodide produced the best results. A linear response was obtained between the detection limit (LOD (3σ)) of 1.5μg L(-1) and 1000μg L(-1). The RSD% (n=10) for a solution containing 15μg L(-1) of Tl was 2.9%. The recoveries of thallium in environmental water samples by spiking the samples with 10 and 20µg L(-1) of Tl were in the 97.0-102.5% range. The accuracy for Tl determination was further confirmed by the analysis of a water standard reference material (1643e form NIST, USA). Finally, it was demonstrated that malachite green and crystal violet showed similar enhancement effect like Rhodamine B for thallium HG. PMID:25702995

  5. Studies on hydride-forming alloys as the active material of a metal hydride electrode for a nickel metal hydride cell

    SciTech Connect

    Lim, H.S.; Zelter, G.R.; Allison, D.U.; Reilly, J.J.; Srinivasan, S.; Stockel, J.F.

    1997-12-01

    Multi-component AB{sub 5} hydrides are attractive replacements for the cadmium electrode in nickel-cadmium batteries. The archetype compound of the AB{sub 5} alloy class is LaNi{sub 5}, but in a typical battery electrode mischmetal is substituted for La and Ni is substituted in part by variety of metals. This paper deals with the effect on cycle life upon the partial substitution of various lanthanides for La and Sn, In, Al, Co, and Mn for Ni. The presence of Ce was shown to enhance cycle life as did Sn in some cases. An electrode of La{sub 0.67}Ce{sub 0.33}B{sub 5} alloy gave over 3,500 cycles (to specific capacity of 200 mAh/g), indicating that it is a very attractive alloy for a practical Ni/MH{sub x} cell.

  6. Stress analysis of hydride bed vessels used for tritium storage

    SciTech Connect

    McKillip, S.T.; Bannister, C.E.; Clark, E.A.

    1991-01-01

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

  7. Stress analysis of hydride bed vessels used for tritium storage

    SciTech Connect

    McKillip, S.T.; Bannister, C.E.; Clark, E.A.

    1991-12-31

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

  8. Hydride Ions, HCO+ and Ionizing Irradiation in Star Forming Region

    NASA Astrophysics Data System (ADS)

    Benz, Arnold O.; Bruderer, Simon; van Dishoeck, Ewine

    2016-06-01

    Hydrides are fundamental precursor molecules in cosmic chemistry and many hydride ions have become observable in high quality for the first time thanks to the Herschel Space Observatory. Ionized hydrides, such as CH+ and OH+ and also HCO+ affect the chemistry of molecules such as water. They also provide complementary information on irradiation by far UV (FUV) or X-rays and gas temperature.We explore hydrides of the most abundant heavier elements in an observational survey covering star forming regions with different mass and evolutionary state. Twelve YSOs were observed with HIFI on Herschel in 6 spectral settings providing fully velocity-resolved line profiles. The YSOs include objects of low (Class 0 and I), intermediate, and high mass, with luminosities ranging from 4 Ls to 2 105 Ls.The targeted lines of CH+, OH+, H2O+, and C+ are detected mostly in blue-shifted absorption. H3O+ and SH+ are detected in emission and only toward some high-mass objects. For the low-mass YSOs the column density ratios of CH+/OH+ can be reproduced by simple chemical models implying an FUV flux of 2 - 400 times the ISRF at the location of the molecules. In two high-mass objects, the UV flux is 20 - 200 times the ISRF derived from absorption lines, and 300 - 600 ISRF using emission lines. Upper limits for the X-ray luminosity can be derived from H3O+ observations for some low-mass objects.If the FUV flux required for low-mass objects originates at the central protostar, a substantial FUV luminosity, up to 1.5 Ls, is required. For high-mass regions, the FUV flux required to produce the observed molecular ratios is smaller than the unattenuated flux expected from the central object(s) at the Herschel beam radius. This is consistent with an FUV flux reduced by circumstellar extinction or by bloating of the protostar.The ion molecules are proposed to form in FUV irradiated cavity walls that are shocked by the disk wind. The shock region is turbulent, broadening the lines to some 1 - 12 km

  9. Electrochemical process and production of novel complex hydrides

    DOEpatents

    Zidan, Ragaiy

    2013-06-25

    A process of using an electrochemical cell to generate aluminum hydride (AlH.sub.3) is provided. The electrolytic cell uses a polar solvent to solubilize NaAlH.sub.4. The resulting electrochemical process results in the formation of AlH.sub.3. The AlH.sub.3 can be recovered and used as a source of hydrogen for the automotive industry. The resulting spent aluminum can be regenerated into NaAlH.sub.4 as part of a closed loop process of AlH.sub.3 generation.

  10. Sintering of sponge and hydride-dehydride titanium powders

    SciTech Connect

    Alman, David E.; Gerdemann, Stephen J.

    2004-04-01

    The sintering behavior of compacts produced from sponge and hydride-dehydride (HDH) Ti powders was examined. Compacts were vacuum sintered at 1200 or 1300 deg C for 30, 60, 120, 240, 480 or 960 minutes. The porosity decreased with sintering time and/or temperature in compacts produced from the HDH powders. Compacts produced from these powders could be sintered to essentially full density. However, the sintering condition did not influence the amount of porosity present in compacts produced from the sponge powders. These samples could only be sintered to a density of 97% theoretical. The sintering behavior was attributed to the chemical impurities in the powders.

  11. Modeling of Gallium Nitride Hydride Vapor Phase Epitaxy

    NASA Technical Reports Server (NTRS)

    Meyyappan, Meyya; Arnold, James O. (Technical Monitor)

    1997-01-01

    A reactor model for the hydride vapor phase epitaxy of GaN is presented. The governing flow, energy, and species conservation equations are solved in two dimensions to examine the growth characteristics as a function of process variables and reactor geometry. The growth rate varies with GaCl composition but independent of NH3 and H2 flow rates. A change in carrier gas for Ga source from H2 to N2 affects the growth rate and uniformity for a fixed reactor configuration. The model predictions are in general agreement with observed experimental behavior.

  12. Gas phase contributions to topochemical hydride reduction reactions

    NASA Astrophysics Data System (ADS)

    Kobayashi, Yoji; Li, Zhaofei; Hirai, Kei; Tassel, Cédric; Loyer, François; Ichikawa, Noriya; Abe, Naoyuki; Yamamoto, Takafumi; Shimakawa, Yuichi; Yoshimura, Kazuyoshi; Takano, Mikio; Hernandez, Olivier J.; Kageyama, Hiroshi

    2013-11-01

    Alkali and alkali earth hydrides have been used as solid state reductants recently to yield many interesting new oxygen-deficient transition metal oxides. These reactions have tacitly been assumed to be a solid phase reaction between the reductant and parent oxide. We have conducted a number of experiments with physical separation between the reductant and oxides, and find that in some cases reduction proceeds even when the reagents are physically separated, implying reactions with in-situ generated H2 and, to a lesser extent, getter mechanisms. Our findings change our understanding of these topochemical reactions, and should enhance the synthesis of additional new oxides and nanostructures.

  13. 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

    2015-04-01

    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.

  14. Hydride-phase formation and its influence on fatigue crack propagationbehavior in a Zircaloy-4 alloy

    SciTech Connect

    Garlea, Elena; Choo, H.; Wang, G Y; Liaw, Peter K; Clausen, B; Brown, D. W.; Park, Jae-Sung; Rack, P. D.; Kenik, Edward A

    2010-01-01

    The hydride-phase formation and its influence on the fatigue behavior of a Zircaloy-4 alloy charged with hydrogen gas are investigated. First, the microstructure and fatigue crack propagation rate of the alloy in the as-received condition are studied. Second, the formation and homogeneous distribution of delta zirconium hydride ( -ZrH2) in the bulk, and its effect on the fatigue crack propagation rate are presented. The results show that in the presence of hydrides the zirconium alloy exhibits reduced toughness and enhanced crack growth rates. Finally, the influence of a pre-existing fatigue crack in the specimen and the subsequent hydride formation were investigated. The residual lattice strain profile around the fatigue crack tip was measured using neutron diffraction. The combined effects of residual strains and hydride precipitation on the fatigue behavior are discussed.

  15. Hydrogenase Enzymes and Their Synthetic Models: The Role of Metal Hydrides.

    PubMed

    Schilter, David; Camara, James M; Huynh, Mioy T; Hammes-Schiffer, Sharon; Rauchfuss, Thomas B

    2016-08-10

    Hydrogenase enzymes efficiently process H2 and protons at organometallic FeFe, NiFe, or Fe active sites. Synthetic modeling of the many H2ase states has provided insight into H2ase structure and mechanism, as well as afforded catalysts for the H2 energy vector. Particularly important are hydride-bearing states, with synthetic hydride analogues now known for each hydrogenase class. These hydrides are typically prepared by protonation of low-valent cores. Examples of FeFe and NiFe hydrides derived from H2 have also been prepared. Such chemistry is more developed than mimicry of the redox-inactive monoFe enzyme, although functional models of the latter are now emerging. Advances in physical and theoretical characterization of H2ase enzymes and synthetic models have proven key to the study of hydrides in particular, and will guide modeling efforts toward more robust and active species optimized for practical applications. PMID:27353631

  16. Automated DNA Sequencing System

    SciTech Connect

    Armstrong, G.A.; Ekkebus, C.P.; Hauser, L.J.; Kress, R.L.; Mural, R.J.

    1999-04-25

    Oak Ridge National Laboratory (ORNL) is developing a core DNA sequencing facility to support biological research endeavors at ORNL and to conduct basic sequencing automation research. This facility is novel because its development is based on existing standard biology laboratory equipment; thus, the development process is of interest to the many small laboratories trying to use automation to control costs and increase throughput. Before automation, biology Laboratory personnel purified DNA, completed cycle sequencing, and prepared 96-well sample plates with commercially available hardware designed specifically for each step in the process. Following purification and thermal cycling, an automated sequencing machine was used for the sequencing. A technician handled all movement of the 96-well sample plates between machines. To automate the process, ORNL is adding a CRS Robotics A- 465 arm, ABI 377 sequencing machine, automated centrifuge, automated refrigerator, and possibly an automated SpeedVac. The entire system will be integrated with one central controller that will direct each machine and the robot. The goal of this system is to completely automate the sequencing procedure from bacterial cell samples through ready-to-be-sequenced DNA and ultimately to completed sequence. The system will be flexible and will accommodate different chemistries than existing automated sequencing lines. The system will be expanded in the future to include colony picking and/or actual sequencing. This discrete event, DNA sequencing system will demonstrate that smaller sequencing labs can achieve cost-effective the laboratory grow.

  17. Method of generating hydrogen-storing hydride complexes

    DOEpatents

    None, None

    2013-05-14

    A ternary hydrogen storage system having a constant stoichiometric molar ratio of LiNH.sub.2:MgH.sub.2:LiBH.sub.4 of 2:1:1. It was found that the incorporation of MgH.sub.2 particles of approximately 10 nm to 20 nm exhibit a lower initial hydrogen release temperature of 150.degree. C. Furthermore, it is observed that the particle size of LiBNH quaternary hydride has a significant effect on the hydrogen sorption concentration with an optimum size of 28 nm. The as-synthesized hydrides exhibit two main hydrogen release temperatures, one around 160.degree. C. and the other around 300.degree. C., with the main hydrogen release temperature reduced from 310.degree. C. to 270.degree. C., while hydrogen is first reversibly released at temperatures as low as 150.degree. C. with a total hydrogen capacity of 6 wt. % to 8 wt. %. Detailed thermal, capacity, structural and microstructural properties have been demonstrated and correlated with the activation energies of these materials.

  18. Measurement of nuclear fuel pin hydriding utilizing epithermal neutron scattering

    SciTech Connect

    Miller, W.H.; Farkas, D.M.; Lutz, D.R.

    1996-12-31

    The measurement of hydrogen or zirconium hydriding in fuel cladding has long been of interest to the nuclear power industry. The detection of this hydrogen currently requires either destructive analysis (with sensitivities down to 1 {mu}g/g) or nondestructive thermal neutron radiography (with sensitivities on the order of a few weight percent). The detection of hydrogen in metals can also be determined by measuring the slowing down of neutrons as they collide and rapidly lose energy via scattering with hydrogen. This phenomenon is the basis for the {open_quotes}notched neutron spectrum{close_quotes} technique, also referred to as the Hysen method. This technique has been improved with the {open_quotes}modified{close_quotes} notched neutron spectrum technique that has demonstrated detection of hydrogen below 1 {mu}g/g in steel. The technique is nondestructive and can be used on radioactive materials. It is proposed that this technique be applied to the measurement of hydriding in zirconium fuel pins. This paper summarizes a method for such measurements.

  19. Reactions of ruthenium hydrides with ethyl-vinyl sulfide.

    PubMed

    Dahcheh, Fatme; Stephan, Douglas W

    2014-03-01

    The Ru-hydride precursors (Im(OMe)2)(PPh3)2RuHCl () and (Me2Im(OMe)2)(PPh3)2RuHCl () reacted with ethyl-vinyl-sulfide to give ((MeOCH2CH2)C3H2N2(CH2CH(OMe))RuCl(PPh3)2 () and ((MeOCH2CH2)C3Me2N2(CH2CH(OMe))RuCl(PPh3)2 (), respectively. Dissolution of () in C6D6 prompts formation of ((MeOCH2CH2)C5H6N2(CHCH)RuCl(PPh3)2 (). The analogous reactions of the bis-carbene Ru-hydride precursors (Im(OMe)2)(IMes)(PPh3)RuHCl (), (Im(OMe)2)(SIMes)(PPh3)RuHCl () and (Im(OMe)2)(IMes-Cl2)(PPh3)RuHCl () gave ((MeOCH2CH2)C3H2N2(CHCH)RuCl(PPh3)(NHC) (NHC = IMes (), SIMes (), IMes-Cl2 (), respectively. The formation of compounds () and () is thought to go through an initial insertion of the vinyl-fragment into the Ru-H prompting subsequent C-H activation and loss of diethyl sulfide. This yields () and (), while subsequent loss of methanol yields () and (-). PMID:24441082

  20. Laboratory Automation and Middleware.

    PubMed

    Riben, Michael

    2015-06-01

    The practice of surgical pathology is under constant pressure to deliver the highest quality of service, reduce errors, increase throughput, and decrease turnaround time while at the same time dealing with an aging workforce, increasing financial constraints, and economic uncertainty. Although not able to implement total laboratory automation, great progress continues to be made in workstation automation in all areas of the pathology laboratory. This report highlights the benefits and challenges of pathology automation, reviews middleware and its use to facilitate automation, and reviews the progress so far in the anatomic pathology laboratory.

  1. Main Group Lewis Acid-Mediated Transformations of Transition-Metal Hydride Complexes.

    PubMed

    Maity, Ayan; Teets, Thomas S

    2016-08-10

    This Review highlights stoichiometric reactions and elementary steps of catalytic reactions involving cooperative participation of transition-metal hydrides and main group Lewis acids. Included are reactions where the transition-metal hydride acts as a reactant as well as transformations that form the metal hydride as a product. This Review is divided by reaction type, illustrating the diverse roles that Lewis acids can play in mediating transformations involving transition-metal hydrides as either reactants or products. We begin with a discussion of reactions where metal hydrides form direct adducts with Lewis acids, elaborating the structure and dynamics of the products of these reactions. The bulk of this Review focuses on reactions where the transition metal and Lewis acid act in cooperation, and includes sections on carbonyl reduction, H2 activation, and hydride elimination reactions, all of which can be promoted by Lewis acids. Also included is a section on Lewis acid-base secondary coordination sphere interactions, which can influence the reactivity of hydrides. Work from the past 50 years is included, but the majority of this Review focuses on research from the past decade, with the intent of showcasing the rapid emergence of this field and the potential for further development into the future.

  2. Studies of hydride formation and superconductivity in hydrides of alloys Th-M /M = La, Y, Ce, Zr and Bi/

    NASA Technical Reports Server (NTRS)

    Oesterreicher, H.; Clinton, J.; Misroch, M.

    1977-01-01

    In order to gain a better insight into both the unusual composition of ThH15 and its superconductivity, an experimental study was conducted to assess the influence of partial replacement of Th in Th4H15 by elements which allow for a systematic alteration of spatial and electronic effects. For this purpose, substituent elements with the same number of valence electrons (4) but of smaller size (Zr) as well as elements with a smaller number of valence electrons (3) and either larger (La) or smaller size (Y) were selected. A few data with Ce and Bi as substituent atoms are also included. The matrix alloys for hydriding were obtained by induction melting under Ar in water-cooled Cu boats. Superconducting transition temperatures are found to decrease on substitution for Th in Th4H15. Hydrides derived from LaH3 by substitution for La by Th do not become superconducting. It is suggested that superconductivity in Th4H15 is connected with a deviation from the exact stoichiometry of Th4H15. A model of unsatisfied valencies may be of more general validity in predicting superconductivity.

  3. Development of a used fuel cladding damage model incorporating circumferential and radial hydride responses

    NASA Astrophysics Data System (ADS)

    Chen, Qiushi; Ostien, Jakob T.; Hansen, Glen

    2014-04-01

    At the completion of the fuel drying process, used fuel Zry4 cladding typically exhibits a significant population of δ-hydride inclusions. These inclusions are in the form of small platelets that are generally oriented both circumferentially and radially within the cladding material. There is concern that radially-oriented hydride inclusions may weaken the cladding material and lead to issues during used fuel storage and transportation processes. A high fidelity model of the mechanical behavior of hydrides has utility in both designing fuel cladding to be more resistant to this hydride-induced weakening and also in suggesting modifications to drying, storage, and transport operations to reduce the impact of hydride formation and/or the avoidance of loading scenarios that could overly stress the radial inclusions. We develop a mechanical model for the Zry4-hydride system that, given a particular morphology of hydride inclusions, allows the calculation of the response of the hydrided cladding under various loading scenarios. The model treats the Zry4 matrix material as J2 elastoplastic, and treats the hydrides as platelets oriented in predefined directions (e.g., circumferentially and radially). The model is hosted by the Albany analysis framework, where a finite element approximation of the weak form of the cladding boundary value problem is solved using a preconditioned Newton-Krylov approach. Instead of forming the required system Jacobian operator directly or approximating its action with a differencing operation, Albany leverages the Trilinos Sacado package to form the Jacobian via automatic differentiation. We present results that describe the performance of the model in comparison with as-fabricated Zry4 as well as HB Robinson fuel cladding. Further, we also present performance results that demonstrate the efficacy of the overall solution method employed to host the model.

  4. Automating checks of plan check automation.

    PubMed

    Halabi, Tarek; Lu, Hsiao-Ming

    2014-07-08

    While a few physicists have designed new plan check automation solutions for their clinics, fewer, if any, managed to adapt existing solutions. As complex and varied as the systems they check, these programs must gain the full confidence of those who would run them on countless patient plans. The present automation effort, planCheck, therefore focuses on versatility and ease of implementation and verification. To demonstrate this, we apply planCheck to proton gantry, stereotactic proton gantry, stereotactic proton fixed beam (STAR), and IMRT treatments.

  5. Work and Programmable Automation.

    ERIC Educational Resources Information Center

    DeVore, Paul W.

    A new industrial era based on electronics and the microprocessor has arrived, an era that is being called intelligent automation. Intelligent automation, in the form of robots, replaces workers, and the new products, using microelectronic devices, require significantly less labor to produce than the goods they replace. The microprocessor thus…

  6. Automation and Cataloging.

    ERIC Educational Resources Information Center

    Furuta, Kenneth; And Others

    1990-01-01

    These three articles address issues in library cataloging that are affected by automation: (1) the impact of automation and bibliographic utilities on professional catalogers; (2) the effect of the LASS microcomputer software on the cost of authority work in cataloging at the University of Arizona; and (3) online subject heading and classification…

  7. Library Automation Style Guide.

    ERIC Educational Resources Information Center

    Gaylord Bros., Liverpool, NY.

    This library automation style guide lists specific terms and names often used in the library automation industry. The terms and/or acronyms are listed alphabetically and each is followed by a brief definition. The guide refers to the "Chicago Manual of Style" for general rules, and a notes section is included for the convenience of individual…

  8. More Benefits of Automation.

    ERIC Educational Resources Information Center

    Getz, Malcolm

    1988-01-01

    Describes a study that measured the benefits of an automated catalog and automated circulation system from the library user's point of view in terms of the value of time saved. Topics discussed include patterns of use, access time, availability of information, search behaviors, and the effectiveness of the measures used. (seven references)…

  9. Educating Archivists for Automation.

    ERIC Educational Resources Information Center

    Weber, Lisa B.

    1988-01-01

    Archivists indicate they want to learn more about automation in archives, the MARC AMC (Archival and Manuscripts Control) format, and emerging computer technologies; they look for educational opportunities through professional associations, publications, and college coursework; future archival automation education needs include standards, shared…

  10. Automation and robotics

    NASA Technical Reports Server (NTRS)

    Montemerlo, Melvin

    1988-01-01

    The Autonomous Systems focus on the automation of control systems for the Space Station and mission operations. Telerobotics focuses on automation for in-space servicing, assembly, and repair. The Autonomous Systems and Telerobotics each have a planned sequence of integrated demonstrations showing the evolutionary advance of the state-of-the-art. Progress is briefly described for each area of concern.

  11. Proton beam production by a laser ion source with hydride target.

    PubMed

    Okamura, M; Stifler, C; Palm, K; Steski, D; Ikeda, S; Kumaki, M; Kanesue, T

    2016-02-01

    We studied proton beam production from a laser ion source using hydrogen rich target materials. In general, gas based species are not suitable for laser ion sources since formation of a dense laser target is difficult. In order to achieve reliable operation, we tested hydride targets using a sub nanosecond Q-switched Nd-YAG laser, which may help suppress target material consumption. We detected enough yields of protons from a titanium hydride target without degradation of beam current during the experiment. The combination of a sub nanosecond laser and compressed hydride target may provide stable proton beam. PMID:26931967

  12. The storage of hydrogen in the form of metal hydrides: An application to thermal engines

    NASA Technical Reports Server (NTRS)

    Gales, C.; Perroud, P.

    1981-01-01

    The possibility of using LaNi56, FeTiH2, or MgH2 as metal hydride storage sytems for hydrogen fueled automobile engines is discussed. Magnesium copper and magnesium nickel hydrides studies indicate that they provide more stable storage systems than pure magnesium hydrides. Several test engines employing hydrogen fuel have been developed: a single cylinder motor originally designed for use with air gasoline mixture; a four-cylinder engine modified to run on an air hydrogen mixture; and a gas turbine.

  13. Interaction of electrons with light metal hydrides in the transmission electron microscope.

    PubMed

    Wang, Yongming; Wakasugi, Takenobu; Isobe, Shigehito; Hashimoto, Naoyuki; Ohnuki, Somei

    2014-12-01

    Transmission electron microscope (TEM) observation of light metal hydrides is complicated by the instability of these materials under electron irradiation. In this study, the electron kinetic energy dependences of the interactions of incident electrons with lithium, sodium and magnesium hydrides, as well as the constituting element effect on the interactions, were theoretically discussed, and electron irradiation damage to these hydrides was examined using in situ TEM. The results indicate that high incident electron kinetic energy helps alleviate the irradiation damage resulting from inelastic or elastic scattering of the incident electrons in the TEM. Therefore, observations and characterizations of these materials would benefit from increased, instead decreased, TEM operating voltage.

  14. Advances in inspection automation

    NASA Astrophysics Data System (ADS)

    Weber, Walter H.; Mair, H. Douglas; Jansen, Dion; Lombardi, Luciano

    2013-01-01

    This new session at QNDE reflects the growing interest in inspection automation. Our paper describes a newly developed platform that makes the complex NDE automation possible without the need for software programmers. Inspection tasks that are tedious, error-prone or impossible for humans to perform can now be automated using a form of drag and drop visual scripting. Our work attempts to rectify the problem that NDE is not keeping pace with the rest of factory automation. Outside of NDE, robots routinely and autonomously machine parts, assemble components, weld structures and report progress to corporate databases. By contrast, components arriving in the NDT department typically require manual part handling, calibrations and analysis. The automation examples in this paper cover the development of robotic thickness gauging and the use of adaptive contour following on the NRU reactor inspection at Chalk River.

  15. Automation in Immunohematology

    PubMed Central

    Bajpai, Meenu; Kaur, Ravneet; Gupta, Ekta

    2012-01-01

    There have been rapid technological advances in blood banking in South Asian region over the past decade with an increasing emphasis on quality and safety of blood products. The conventional test tube technique has given way to newer techniques such as column agglutination technique, solid phase red cell adherence assay, and erythrocyte-magnetized technique. These new technologies are adaptable to automation and major manufacturers in this field have come up with semi and fully automated equipments for immunohematology tests in the blood bank. Automation improves the objectivity and reproducibility of tests. It reduces human errors in patient identification and transcription errors. Documentation and traceability of tests, reagents and processes and archiving of results is another major advantage of automation. Shifting from manual methods to automation is a major undertaking for any transfusion service to provide quality patient care with lesser turnaround time for their ever increasing workload. This article discusses the various issues involved in the process. PMID:22988378

  16. Automation in immunohematology.

    PubMed

    Bajpai, Meenu; Kaur, Ravneet; Gupta, Ekta

    2012-07-01

    There have been rapid technological advances in blood banking in South Asian region over the past decade with an increasing emphasis on quality and safety of blood products. The conventional test tube technique has given way to newer techniques such as column agglutination technique, solid phase red cell adherence assay, and erythrocyte-magnetized technique. These new technologies are adaptable to automation and major manufacturers in this field have come up with semi and fully automated equipments for immunohematology tests in the blood bank. Automation improves the objectivity and reproducibility of tests. It reduces human errors in patient identification and transcription errors. Documentation and traceability of tests, reagents and processes and archiving of results is another major advantage of automation. Shifting from manual methods to automation is a major undertaking for any transfusion service to provide quality patient care with lesser turnaround time for their ever increasing workload. This article discusses the various issues involved in the process. PMID:22988378

  17. Automation in immunohematology.

    PubMed

    Bajpai, Meenu; Kaur, Ravneet; Gupta, Ekta

    2012-07-01

    There have been rapid technological advances in blood banking in South Asian region over the past decade with an increasing emphasis on quality and safety of blood products. The conventional test tube technique has given way to newer techniques such as column agglutination technique, solid phase red cell adherence assay, and erythrocyte-magnetized technique. These new technologies are adaptable to automation and major manufacturers in this field have come up with semi and fully automated equipments for immunohematology tests in the blood bank. Automation improves the objectivity and reproducibility of tests. It reduces human errors in patient identification and transcription errors. Documentation and traceability of tests, reagents and processes and archiving of results is another major advantage of automation. Shifting from manual methods to automation is a major undertaking for any transfusion service to provide quality patient care with lesser turnaround time for their ever increasing workload. This article discusses the various issues involved in the process.

  18. Comparison of delayed hydride cracking behavior of two zirconium alloys

    NASA Astrophysics Data System (ADS)

    Ponzoni, L. M. E.; Mieza, J. I.; De Las Heras, E.; Domizzi, G.

    2013-08-01

    Delayed hydride cracking (DHC) is an important failure mechanism that may occur in Zr alloys during service in water-cooled reactors. Two conditions must be attained to initiate DHC from a crack: the stress intensity factor must be higher than a threshold value called KIH and, hydrogen concentration must exceed a critical value. Currently the pressure tubes for CANDU reactor are fabricated from Zr-2.5Nb. In this paper the critical hydrogen concentration for DHC and the crack velocity of a developmental pressure tube, Excel, was evaluated and compared with that of Zr-2.5Nb. The DHC velocity values measured in Excel were higher than usually reported in Zr-2.5Nb. Due to the higher hydrogen solubility limits in Excel, its critical hydrogen concentration for DHC initiation is 10-50 wppm over that of Zr-2.5Nb in the range of 150-300 °C.

  19. Proton-hydride tautomerism in hydrogen evolution catalysis.

    PubMed

    Quintana, Luis M Aguirre; Johnson, Samantha I; Corona, Sydney L; Villatoro, Walther; Goddard, William A; Takase, Michael K; VanderVelde, David G; Winkler, Jay R; Gray, Harry B; Blakemore, James D

    2016-06-01

    Efficient generation of hydrogen from renewable resources requires development of catalysts that avoid deep wells and high barriers. Information about the energy landscape for H2 production can be obtained by chemical characterization of catalytic intermediates, but few have been observed to date. We have isolated and characterized a key intermediate in 2e(-) + 2H(+) → H2 catalysis. This intermediate, obtained by treatment of Cp*Rh(bpy) (Cp*, η(5)-pentamethylcyclopentadienyl; bpy, κ(2)-2,2'-bipyridyl) with acid, is not a hydride species but rather, bears [η(4)-Cp*H] as a ligand. Delivery of a second proton to this species leads to evolution of H2 and reformation of η(5)-Cp* bound to rhodium(III). With suitable choices of acids and bases, the Cp*Rh(bpy) complex catalyzes facile and reversible interconversion of H(+) and H2. PMID:27222576

  20. Crystal structure of the superconducting phase of sulfur hydride

    NASA Astrophysics Data System (ADS)

    Einaga, Mari; Sakata, Masafumi; Ishikawa, Takahiro; Shimizu, Katsuya; Eremets, Mikhail I.; Drozdov, Alexander P.; Troyan, Ivan A.; Hirao, Naohisa; Ohishi, Yasuo

    2016-09-01

    A superconducting critical temperature above 200 K has recently been discovered in H2S (or D2S) under high hydrostatic pressure. These measurements were interpreted in terms of a decomposition of these materials into elemental sulfur and a hydrogen-rich hydride that is responsible for the superconductivity, although direct experimental evidence for this mechanism has so far been lacking. Here we report the crystal structure of the superconducting phase of hydrogen sulfide (and deuterium sulfide) in the normal and superconducting states obtained by means of synchrotron X-ray diffraction measurements, combined with electrical resistance measurements at both room and low temperatures. We find that the superconducting phase is mostly in good agreement with the theoretically predicted body-centred cubic (bcc) structure for H3S. The presence of elemental sulfur is also manifest in the X-ray diffraction patterns, thus proving the decomposition mechanism of H2S to H3S + S under pressure.

  1. A simple approach to metal hydride alloy optimization

    NASA Technical Reports Server (NTRS)

    Lawson, D. D.; Miller, C. G.; Landel, R. F.

    1976-01-01

    Hildebrand-Scott (1950) solubility parameters can be obtained for metals and alloys by calculating the cohesive energy density (CED), equal to the square of the solubility parameter, and a function of the heat of sublimation and the atomic volume. It is suggested that the solubility parameter permits estimation of the hydrogen storage capacity of an alloy and that alloys with a solubility parameter approximately equal to the parameter for hydrogen will have greater hydrogen storage capacity than other alloys. Equilibrium pressure - temperature relationships for some metal hydrides are presented in conjunction with the calculated solubility parameter and correlated with characteristics which would be useful in hydrogen-powered vehicles. Alloy properties which increase the amount of nonstoichiometric reversible hydrogen absorption are discussed.

  2. LaNi5 hydride cryogenic refrigerator test results

    NASA Technical Reports Server (NTRS)

    Jones, J. A.

    1983-01-01

    A complete LaNi5 hydrogen absorption cryogenic refrigerator system was developed. The system uses low temperature waste heat of approximately 100 C as a power source, and has no moving parts other than self operating valves. The cycle continues automatically by an electronic sequencing timing mechanism for the three compressors which are phased such that a constant supply of high pressure hydrogen gas is provided. It is indicated that with a fully clean hydrogen system, hundreds of thousand cycles should be attainable, even though some degradation may eventually occur. Simple vacuum reactivation of the hydride of moving parts, other than self operating, long life valves, the refrigerators predicted life is extremely long.

  3. Final report for the DOE Metal Hydride Center of Excellence.

    SciTech Connect

    Keller, Jay O.; Klebanoff, Leonard E.

    2012-01-01

    This report summarizes the R&D activities within the U.S. Department of Energy Metal Hydride Center of Excellence (MHCoE) from March 2005 to June 2010. The purpose of the MHCoE has been to conduct highly collaborative and multi-disciplinary applied R&D to develop new reversible hydrogen storage materials that meet or exceed DOE 2010 and 2015 system goals for hydrogen storage materials. The MHCoE combines three broad areas: mechanisms and modeling (which provide a theoretically driven basis for pursuing new materials), materials development (in which new materials are synthesized and characterized) and system design and engineering (which allow these new materials to be realized as practical automotive hydrogen storage systems). This Final Report summarizes the organization and execution of the 5-year research program to develop practical hydrogen storage materials for light duty vehicles. Major results from the MHCoE are summarized, along with suggestions for future research areas.

  4. Capture of liquid hydrogen boiloff with metal hydride absorbers

    NASA Technical Reports Server (NTRS)

    Rosso, M. J.; Golben, P. M.

    1984-01-01

    A procedure which uses metal hydrides to capture some of this low pressure (,1 psig) hydrogen for subsequent reliquefaction is described. Of the five normally occurring sources of boil-off vapor the stream associated with the off-loading of liquid tankers during dewar refill was identified as the most cost effective and readily recoverable. The design, fabrication and testing of a proof-of-concept capture device, operating at a rate that is commensurate with the evolution of vapor by the target stream, is described. Liberation of the captured hydrogen gas at pressure .15 psig at normal temperatures (typical liquefier compressor suction pressure) are also demonstrated. A payback time of less than three years is projected.

  5. Metal hydride hydrogen compression: recent advances and future prospects

    NASA Astrophysics Data System (ADS)

    Yartys, Volodymyr A.; Lototskyy, Mykhaylo; Linkov, Vladimir; Grant, David; Stuart, Alastair; Eriksen, Jon; Denys, Roman; Bowman, Robert C.

    2016-04-01

    Metal hydride (MH) thermal sorption compression is one of the more important applications of the MHs. The present paper reviews recent advances in the field based on the analysis of the fundamental principles of this technology. The performances when boosting hydrogen pressure, along with two- and three-step compression units, are analyzed. The paper includes also a theoretical modelling of a two-stage compressor aimed at describing the performance of the experimentally studied systems, their optimization and design of more advanced MH compressors. Business developments in the field are reviewed for the Norwegian company HYSTORSYS AS and the South African Institute for Advanced Materials Chemistry. Finally, future prospects are outlined presenting the role of the MH compression in the overall development of the hydrogen-driven energy systems. The work is based on the analysis of the development of the technology in Europe, USA and South Africa.

  6. Recycling of nickel-metal hydride battery scrap

    SciTech Connect

    Lyman, J.W.; Palmer, G.R.

    1994-12-31

    Nickel-metal hydride (Ni-MH) battery technology is being developed as a NiCd replacement for applications in consumer cells and electric vehicle batteries. The U.S. Bureau of Mines is investigating hydrometallurgical recycling technology that separates and recovers individual components from Ni-MH battery scrap. Acid dissolution and metal recovery techniques such as precipitation and solvent extraction produced purified products of rare-earths, nickel, and other metals associated with AB{sub 2} and AB{sub 5} Ni-MH scrap. Tests were conducted on scrap cells of a single chemistry that had been de-canned to reduce iron content. Although recovery techniques have been identified in principal, their applicability to mixed battery waste stream and economic attractiveness remain to be demonstrated. 14 refs.

  7. Physics of Hydrogen Storage in Metal-Hydrides

    NASA Astrophysics Data System (ADS)

    Abdelfattah-Zidan, Ragaiy

    Physical aspects of the hydrogenation-dehydrogenation mechanisms of metal-metal hydride systems were examined. Experimental investigation was conducted for magnesium hydride as a case study. Theoretical analysis and computational study were carried out. The kinetics of hydrogenation-dehydrogenation of traditionally prepared Mg-MgH_2 and chemically synthesized Mg-MgH_2 were experimentally investigated. A detailed investigation was carried out to determine the reasons for the improved performance of a chemically synthesized Mg-MgH _2 previously reported by Bogdanovic and co-workers. A scanning electron microscope was used to examine the surface morphology of the samples. The surface of chemically prepared samples appeared to be covered with micro-spheroidal beads ranging in radius between 0.5 μm and 0.05 μm formed in a fractal-like configuration. Theoretical analysis indicated that the unusual surface structure of the chemically prepared samples could be responsible for the rapid uptake and release of hydrogen. The uptake and release enhancement is believed to be partially due to the substantial increase in the surface area and partially due fast diffusion into the smaller particles. The effect of the addition of nickel to the surface was also investigated. Theoretical analysis was carried out. Models for the process at the surface as well as in the bulk were developed. Diffusion equation was examined taking into account the diffusion coefficient being function of concentration. A non-linear differential equation resulted for this case. The differential equation was numerically solved.

  8. Discovery of Novel Complex Metal Hydrides for Hydrogen Storage through Molecular Modeling and Combinatorial Methods

    SciTech Connect

    Lesch, David A; Adriaan Sachtler, J.W. J.; Low, John J; Jensen, Craig M; Ozolins, Vidvuds; Siegel, Don; Harmon, Laurel

    2011-02-14

    UOP LLC, a Honeywell Company, Ford Motor Company, and Striatus, Inc., collaborated with Professor Craig Jensen of the University of Hawaii and Professor Vidvuds Ozolins of University of California, Los Angeles on a multi-year cost-shared program to discover novel complex metal hydrides for hydrogen storage. This innovative program combined sophisticated molecular modeling with high throughput combinatorial experiments to maximize the probability of identifying commercially relevant, economical hydrogen storage materials with broad application. A set of tools was developed to pursue the medium throughput (MT) and high throughput (HT) combinatorial exploratory investigation of novel complex metal hydrides for hydrogen storage. The assay programs consisted of monitoring hydrogen evolution as a function of temperature. This project also incorporated theoretical methods to help select candidate materials families for testing. The Virtual High Throughput Screening served as a virtual laboratory, calculating structures and their properties. First Principles calculations were applied to various systems to examine hydrogen storage reaction pathways and the associated thermodynamics. The experimental program began with the validation of the MT assay tool with NaAlH4/0.02 mole Ti, the state of the art hydrogen storage system given by decomposition of sodium alanate to sodium hydride, aluminum metal, and hydrogen. Once certified, a combinatorial 21-point study of the NaAlH4 LiAlH4Mg(AlH4)2 phase diagram was investigated with the MT assay. Stability proved to be a problem as many of the materials decomposed during synthesis, altering the expected assay results. This resulted in repeating the entire experiment with a mild milling approach, which only temporarily increased capacity. NaAlH4 was the best performer in both studies and no new mixed alanates were observed, a result consistent with the VHTS. Powder XRD suggested that the reverse reaction, the regeneration of the

  9. Thermal enhancement cartridge heater modified tritium hydride bed development, Part 2 - Experimental validation of key conceptual design features

    SciTech Connect

    Heroux, K.J.; Morgan, G.A.

    2015-03-15

    The Thermal Enhancement Cartridge Heater Modified (TECH Mod) tritium hydride bed is an interim replacement for the first generation (Gen1) process hydride beds currently in service in the Savannah River Site (SRS) Tritium Facilities. 3 new features are implemented in the TECH Mod hydride bed prototype: internal electric cartridge heaters, porous divider plates, and copper foam discs. These modifications will enhance bed performance and reduce costs by improving bed activation and installation processes, in-bed accountability measurements, end-of-life bed removal, and He-3 recovery. A full-scale hydride bed test station was constructed at the Savannah River National Laboratory (SRNL) in order to evaluate the performance of the prototype TECH Mod hydride bed. Controlled hydrogen (H{sub 2}) absorption/ desorption experiments were conducted to validate that the conceptual design changes have no adverse effects on the gas transfer kinetics or H{sub 2} storage/release properties compared to those of the Gen1 bed. Inert gas expansions before, during, and after H{sub 2} flow tests were used to monitor changes in gas transfer rates with repeated hydriding/de-hydriding of the hydride material. The gas flow rates significantly decreased after initial hydriding of the material; however, minimal changes were observed after repeated cycling. The data presented herein confirm that the TECH Mod hydride bed would be a suitable replacement for the Gen1 bed with the added enhancements expected from the advanced design features. (authors)

  10. Systematic review automation technologies.

    PubMed

    Tsafnat, Guy; Glasziou, Paul; Choong, Miew Keen; Dunn, Adam; Galgani, Filippo; Coiera, Enrico

    2014-07-09

    Systematic reviews, a cornerstone of evidence-based medicine, are not produced quickly enough to support clinical practice. The cost of production, availability of the requisite expertise and timeliness are often quoted as major contributors for the delay. This detailed survey of the state of the art of information systems designed to support or automate individual tasks in the systematic review, and in particular systematic reviews of randomized controlled clinical trials, reveals trends that see the convergence of several parallel research projects.We surveyed literature describing informatics systems that support or automate the processes of systematic review or each of the tasks of the systematic review. Several projects focus on automating, simplifying and/or streamlining specific tasks of the systematic review. Some tasks are already fully automated while others are still largely manual. In this review, we describe each task and the effect that its automation would have on the entire systematic review process, summarize the existing information system support for each task, and highlight where further research is needed for realizing automation for the task. Integration of the systems that automate systematic review tasks may lead to a revised systematic review workflow. We envisage the optimized workflow will lead to system in which each systematic review is described as a computer program that automatically retrieves relevant trials, appraises them, extracts and synthesizes data, evaluates the risk of bias, performs meta-analysis calculations, and produces a report in real time.

  11. Systematic review automation technologies

    PubMed Central

    2014-01-01

    Systematic reviews, a cornerstone of evidence-based medicine, are not produced quickly enough to support clinical practice. The cost of production, availability of the requisite expertise and timeliness are often quoted as major contributors for the delay. This detailed survey of the state of the art of information systems designed to support or automate individual tasks in the systematic review, and in particular systematic reviews of randomized controlled clinical trials, reveals trends that see the convergence of several parallel research projects. We surveyed literature describing informatics systems that support or automate the processes of systematic review or each of the tasks of the systematic review. Several projects focus on automating, simplifying and/or streamlining specific tasks of the systematic review. Some tasks are already fully automated while others are still largely manual. In this review, we describe each task and the effect that its automation would have on the entire systematic review process, summarize the existing information system support for each task, and highlight where further research is needed for realizing automation for the task. Integration of the systems that automate systematic review tasks may lead to a revised systematic review workflow. We envisage the optimized workflow will lead to system in which each systematic review is described as a computer program that automatically retrieves relevant trials, appraises them, extracts and synthesizes data, evaluates the risk of bias, performs meta-analysis calculations, and produces a report in real time. PMID:25005128

  12. Heat transfer characteristics of the metal hydride vessel based on the plate-fin type heat exchanger

    NASA Astrophysics Data System (ADS)

    Oi, Tsutomu; Maki, Kohei; Sakaki, Yoshinori

    Heat transfer characteristics of the metal hydride vessel based on the plate-fin type heat exchanger were investigated. Metal hydride beds were filled with AB 2 type hydrogen-storage alloy's particles, Ti 0.42Zr 0.58Cr 0.78Fe 0.57Ni 0.2Mn 0.39Cu 0.03, with a storage capacity of 0.92 wt.%. Heat transfer model in the metal hydride bed based on the heat transfer mechanism for packed bed proposed by Kunii and co-workers is presented. The time-dependent hydrogen absorption/desorption rate and pressure in the metal hydride vessel calculated by the model were compared with the experimental results. During the hydriding, calculated hydrogen absorption rates agreed with measured ones. Calculated thermal equilibrium hydrogen pressures were slightly lower than the measured hydrogen pressures at the inlet of metal hydride vessel. Taking account of the pressure gradient between the inlet of metal hydride vessel and the metal hydride bed, it is considered that this discrepancy is reasonable. During the dehydriding, there were big differences between the calculated hydrogen desorption rates and measured ones. As calculated hydrogen desorption rates were lower than measured ones, there were big differences between the calculated thermal equilibrium hydrogen pressures and the measured hydrogen pressures at the inlet of metal hydride vessel. It is considered that those differences are due to the differences of the heat transfer characteristics such as thermal conductivity of metal hydride particles and porosity between the assumed and actual ones. It is important to obtain the heat transfer characteristics such as thermal conductivity of metal hydride particles and porosity both during the hydriding and dehydriding to design a metal hydride vessel.

  13. Hydride Transfer in DHFR by Transition Path Sampling, Kinetic Isotope Effects, and Heavy Enzyme Studies.

    PubMed

    Wang, Zhen; Antoniou, Dimitri; Schwartz, Steven D; Schramm, Vern L

    2016-01-12

    Escherichia coli dihydrofolate reductase (ecDHFR) is used to study fundamental principles of enzyme catalysis. It remains controversial whether fast protein motions are coupled to the hydride transfer catalyzed by ecDHFR. Previous studies with heavy ecDHFR proteins labeled with (13)C, (15)N, and nonexchangeable (2)H reported enzyme mass-dependent hydride transfer kinetics for ecDHFR. Here, we report refined experimental and computational studies to establish that hydride transfer is independent of protein mass. Instead, we found the rate constant for substrate dissociation to be faster for heavy DHFR. Previously reported kinetic differences between light and heavy DHFRs likely arise from kinetic steps other than the chemical step. This study confirms that fast (femtosecond to picosecond) protein motions in ecDHFR are not coupled to hydride transfer and provides an integrative computational and experimental approach to resolve fast dynamics coupled to chemical steps in enzyme catalysis.

  14. Catalytic Radical Reduction in Aqueous Solution by a Ruthenium Hydride Intermediate.

    PubMed

    Htet, Yamin; Tennyson, Andrew G

    2016-07-18

    Some manganese complexes can catalyze both antioxidant and pro-oxidant reactions, whereby the disparate reactivity modes are determined by the catalyst environment and afford distinct therapeutic effects. We recently reported the reduction of radicals in buffered aqueous solution catalyzed by a ruthenium complex with biologically relevant non-tertiary alcohols as terminal reductants. Mechanistic evidence is presented, indicating that this catalytic radical reduction is achieved by a Ru-hydride intermediate formed by β-hydride elimination from a Ru-alkoxide species. A similar mechanism and Ru-hydride intermediate was previously reported to kill cancer cells with catalytic pro-oxidant effects. Therefore, our demonstration of catalytic antioxidant effects by the same type of intermediate reveals new potential therapeutic strategies and applications for catalytic systems that form Ru-hydride intermediates. PMID:27254303

  15. Two-State Reactivity Mechanism of Benzene C-C Activation by Trinuclear Titanium Hydride.

    PubMed

    Zhu, Bo; Guan, Wei; Yan, Li-Kai; Su, Zhong-Min

    2016-09-01

    The cleavage of inert C-C bonds is a central challenge in modern chemistry. Multinuclear transition metal complexes would be a desirable alternative because of the synergetic effect of multiple metal centers. In this work, carbon-carbon bond cleavage and rearrangement of benzene by a trinuclear titanium hydride were investigated using density functional theory. The reaction occurs via a novel "two-state reactivity" mechanism. The important elementary steps consist of hydride transfer, benzene coordination, dehydrogenation, oxidative addition, hydride-proton exchange, and reductive elimination. Most importantly, the ground-state potential energy surface switches from nearly degenerate triplet and antiferromagnetic singlet states to a closed-shell singlet state in the dearomatization of benzene, which effectively decreases the activation barrier. Furthermore, the roles of the transition metal centers and hydrides were clarified. PMID:27549571

  16. Hydride precipitation kinetics in Zircaloy-4 studied using synchrotron X-ray diffraction

    NASA Astrophysics Data System (ADS)

    Courty, Olivier F.; Motta, Arthur T.; Piotrowski, Christopher J.; Almer, Jonathan D.

    2015-06-01

    As a result of in-reactor corrosion during operation in nuclear reactors, hydrogen can enter the zirconium fuel cladding and precipitate as brittle hydride particles, which may reduce cladding ductility. Dissolved hydrogen responds to temperature gradients, resulting in transport and precipitation into cold spots so that the distribution of hydrides in the cladding is inhomogeneous. The hydrogen precipitation kinetics plays a strong role in the spatial distribution of the hydrides in the cladding. The precipitation rate is normally described as proportional to the supersaturation of hydrogen in solid solution. The proportionality constant, α2, for hydride precipitation in Zircaloy-4 is measured directly using in situ synchrotron X-Ray diffraction, at different temperatures and with three different initial hydrogen concentrations. The results validate the linear approximation of the phenomenological model and a near constant value of α2 = 4.5 × 10-4 s-1 was determined for the temperature range studied.

  17. Hydride precipitation kinetics in Zircaloy-4 studied using synchrotron X-ray diffraction

    SciTech Connect

    Courty, Olivier Fabrice; Motta, Arthur T.; Piotrowski, Christopher J.; Almer, Jonathan D.

    2015-01-01

    As a result of in-reactor corrosion during operation in nuclear reactors, hydrogen can enter the zirconium fuel cladding and precipitate as brittle hydride particles, which may reduce cladding ductility. Dissolved hydrogen responds to temperature gradients, resulting in transport and precipitation into cold spots so that the distribution of hydrides in the cladding is inhomogeneous. The hydrogen precipitation kinetics plays a strong role in the spatial distribution of the hydrides in the cladding. The precipitation rate is normally described as proportional to the supersaturation of hydrogen in solid solution. The proportionality constant, α2, for hydride precipitation in Zircaloy-4 is measured directly using in situ synchrotron X-Ray diffraction, at different temperatures and with three different initial hydrogen concentrations. The results validate the linear approximation of the phenomenological model and a near constant value of α2 = 4.5 × 10-4 s-1 was determined for the temperature range studied.

  18. Hydride reorientation in Zircaloy-4 examined by in situ synchrotron X-ray diffraction

    NASA Astrophysics Data System (ADS)

    Weekes, H. E.; Jones, N. G.; Lindley, T. C.; Dye, D.

    2016-09-01

    The phenomenon of stress-reorientation has been investigated using in situ X-ray diffraction during the thermomechanical cycling of hydrided Zircaloy-4 tensile specimens. Results have shown that loading along a sample's transverse direction (TD) leads to a greater degree of hydride reorientation when compared to rolling direction (RD)-aligned samples. The elastic lattice micro-strains associated with radially oriented hydrides have been revealed to be greater than those oriented circumferentially, a consequence of strain accommodation. Evidence of hydride redistribution after cycling, to α-Zr grains oriented in a more favourable orientation when under an applied stress, has also been observed and its behaviour has been found to be highly dependent on the loading axis. Finally, thermomechanical loading across multiple cycles has been shown to reduce the difference in terminal solid solubility of hydrogen during dissolution (TSSD,H) and precipitation (TSSP,H).

  19. Solvation dynamics and energetics of intramolecular hydride transfer reactions in biomass conversion.

    PubMed

    Mushrif, Samir H; Varghese, Jithin J; Krishnamurthy, Chethana B

    2015-02-21

    Hydride transfer changes the charge structure of the reactant and thus, may induce reorientation/reorganization of solvent molecules. This solvent reorganization may in turn alter the energetics of the reaction. In the present work, we investigate the intramolecular hydride transfer by taking Lewis acid catalyzed glucose to fructose isomerization as an example. The C2-C1 hydride transfer is the rate limiting step in this reaction. Water and methanol are used as solvents and hydride transfer is simulated in the presence of explicit solvent molecules, treated quantum mechanically and at a finite temperature, using Car-Parrinello molecular dynamics (CPMD) and metadynamics. Activation free energy barrier for hydride transfer in methanol is found to be 50 kJ mol(-1) higher than that in water. In contrast, in density functional theory calculations, using an implicit solvent environment, the barriers are almost identical. Analysis of solvent dynamics and electronic polarization along the molecular dynamics trajectory and the results of CPMD-metadynamics simulation of the hydride transfer process in the absence of any solvent suggest that higher barrier in methanol is a result of non-equilibrium solvation. Methanol undergoes electronic polarization during the hydride transfer step. However, its molecular orientational relaxation is a much slower process that takes place after the hydride transfer, over an extended timescale. This results in non-equilibrium solvation. Water, on the other hand, does not undergo significant electronic polarization and thus, has to undergo minimal molecular reorientation to provide near equilibrium solvation to the transition state and an improved equilibrium solvation to the post hydride shift product state. Hence, the hydride transfer step is also observed to be exergonic in water and endergonic in methanol. The aforementioned explanation is juxtaposed to enzyme catalyzed charge transfer reactions, where the enhanced solvation of the

  20. Automation synthesis modules review.

    PubMed

    Boschi, S; Lodi, F; Malizia, C; Cicoria, G; Marengo, M

    2013-06-01

    The introduction of (68)Ga labelled tracers has changed the diagnostic approach to neuroendocrine tumours and the availability of a reliable, long-lived (68)Ge/(68)Ga generator has been at the bases of the development of (68)Ga radiopharmacy. The huge increase in clinical demand, the impact of regulatory issues and a careful radioprotection of the operators have boosted for extensive automation of the production process. The development of automated systems for (68)Ga radiochemistry, different engineering and software strategies and post-processing of the eluate were discussed along with impact of automation with regulations.

  1. Hydriding and dehydriding characteristics of LiBH{sub 4} and transition metals-added magnesium hydride

    SciTech Connect

    Song, Myoung Youp; Kwak, Young Jun; Lee, Seong Ho; Park, Hye Ryoung

    2013-07-15

    Graphical abstract: Hydriding reaction curves under 12 bar H{sub 2}, and dehydriding reaction curves under 1.0 bar H{sub 2}, at 593 K at the 1st cycle for MgH{sub 2}–10Ni–2LiBH{sub 4}–2Ti and MgH{sub 2}. Highlights: ► Addition of Ni, LiBH{sub 4}, and Ti to MgH{sub 2} to increase reaction rates. ► Sample preparation by reactive mechanical grinding. ► At n = 2, the sample absorbed 4.05 wt% H for 60 min at 593 K under 12 bar H{sub 2}. ► Analysis of rate-controlling step for dehydriding of the sample at n = 3. - Abstract: In this study, MgH{sub 2} was used as a starting material instead of Mg. Ni, Ti, and LiBH{sub 4} with a high hydrogen-storage capacity of 18.4 wt% were added. A sample with a composition of MgH{sub 2}–10Ni–2LiBH{sub 4}–2Ti was prepared by reactive mechanical grinding. The activation of MgH{sub 2}–10Ni–2LiBH{sub 4}–2Ti was completed after the first hydriding–dehydrding cycle. The hydriding rate decreases as the temperature increases due to the decrease in the driving force for the hydriding reaction. At the 1st cycle, the sample desorbs 1.45 wt% H for 10 min, 2.54 wt% H for 20 min, 3.13 wt% H for 30 min, and 3.40 wt% H for 60 min at 593 K under 1.0 bar H{sub 2}. At the 2nd cycle, the sample absorbs 3.84 wt% H for 5 min, 3.96 wt% H for 10 min, and 4.05 wt% H for 60 min at 593 K under 12 bar H{sub 2}. MgH{sub 2}–10Ni–2LiBH{sub 4}–2Ti after reactive mechanical grinding contained MgH{sub 2}, Mg, Ni, TiH{sub 1.924}, and MgO phases. The reactive mechanical grinding of Mg with Ni, LiBH{sub 4}, and Ti is considered to create defects on the surface and in the interior of Mg (to facilitate nucleation), and to reduce the particle size of Mg (to shorten diffusion distances of hydrogen atoms). The formation of Mg{sub 2}Ni during hydriding–dehydriding cycling increases the hydriding and dehydriding rates of the sample.

  2. Advanced Metal-Hydrides-Based Thermal Battery: A New Generation of High Density Thermal Battery Based on Advanced Metal Hydrides

    SciTech Connect

    2011-12-01

    HEATS Project: The University of Utah is developing a compact hot-and-cold thermal battery using advanced metal hydrides that could offer efficient climate control system for EVs. The team’s innovative designs of heating and cooling systems for EVs with high energy density, low-cost thermal batteries could significantly reduce the weight and eliminate the space constraint in automobiles. The thermal battery can be charged by plugging it into an electrical outlet while charging the electric battery and it produces heat and cold through a heat exchanger when discharging. The ultimate goal of the project is a climate-controlling thermal battery that can last up to 5,000 charge and discharge cycles while substantially increasing the driving range of EVs, thus reducing the drain on electric batteries.

  3. Electrochemical selenium hydride generation with in situ trapping in graphite tube atomizers

    NASA Astrophysics Data System (ADS)

    Šíma, Jan; Rychlovský, Petr

    2003-05-01

    A manifold coupling continuous electrolytic hydride generation of volatile hydrides with atomization in graphite tube atomizers after in situ collection was used for Se(IV) determination. Laboratory-made thin-layer flow-through cells with lead wire (cell I) and granular lead (cell II) as the cathode material were used as the electrolytic generators of volatile selenium hydride. The automatic sampling equipment of the graphite atomizer, with an untreated fused silica capillary, was used both for the introduction of volatile hydride into the atomizer and for pretreatment of the graphite furnace surface with a palladium modifier. The influence of the experimental parameters on the analytical signal was studied and optimum conditions for selenium determination were found. The optimum experimental parameters for hydride generation were: catholyte (1 mol l -1 HCl)/anolyte (2 mol l -1 H 2SO 4) flow rate of 2.0 ml min -1; applied generation current of 1.2 A (cell I) and 0.8 A (cell II); and carrier gas flow rate of 40 (cell I) and 70 ml min -1 (cell II). The hydride generated was collected in the graphite tube (pre-treated with 5 μg of Pd reduced at 800 °C) at a temperature of 400 °C for 30 s. The overall efficiency of H 2Se electrochemical generation, transport and collection was 71±7% for cell I and 80±5% for cell II. The results for electrochemical generation of H 2Se (cell II) (absolute limit of detection 50 pg, 3σ criterion) were compared with the original generation of H 2Se using NaBH 4 as a reduction agent (absolute limit of detection 30 pg) and with conventional liquid sampling. The repeatability at the 1.0 ng ml -1 level was better than 2.4% (relative standard deviation) for electrochemical hydride generation and better than 2.8% for chemical hydride generation.

  4. Photogeneration of Hydride Donors and Their Use Toward CO2 Reduction

    SciTech Connect

    Fujita,E.; Muckerman, J.T.; Polyansky, D.E.

    2009-06-07

    Despite substantial effort, no one has succeeded in efficiently producing methanol from CO2 using homogeneous photocatalytic systems. We are pursuing reaction schemes based on a sequence of hydride-ion transfers to carry out stepwise reduction of CO2 to methanol. We are using hydride-ion transfer from photoproduced C-H bonds in metal complexes with bio-inspired ligands (i.e., NADH-like ligands) that are known to store one proton and two electrons.

  5. First-principles calculations of niobium hydride formation in superconducting radio-frequency cavities

    SciTech Connect

    Ford, Denise C.; Cooley, Lance D.; Seidman, David N.

    2013-09-01

    Niobium hydride is suspected to be a major contributor to degradation of the quality factor of niobium superconducting radio-frequency (SRF) cavities. In this study, we connect the fundamental properties of hydrogen in niobium to SRF cavity performance and processing. We modeled several of the niobium hydride phases relevant to SRF cavities and present their thermodynamic, electronic, and geometric properties determined from calculations based on density-functional theory. We find that the absorption of hydrogen from the gas phase into niobium is exothermic and hydrogen becomes somewhat anionic. The absorption of hydrogen by niobium lattice vacancies is strongly preferred over absorption into interstitial sites. A single vacancy can accommodate six hydrogen atoms in the symmetrically equivalent lowest-energy sites and additional hydrogen in the nearby interstitial sites affected by the strain field: this indicates that a vacancy can serve as a nucleation center for hydride phase formation. Small hydride precipitates may then occur near lattice vacancies upon cooling. Vacancy clusters and extended defects should also be enriched in hydrogen, potentially resulting in extended hydride phase regions upon cooling. We also assess the phase changes in the niobium-hydrogen system based on charge transfer between niobium and hydrogen, the strain field associated with interstitial hydrogen, and the geometry of the hydride phases. The results of this study stress the importance of not only the hydrogen content in niobium, but also the recovery state of niobium for the performance of SRF cavities.

  6. Effects of hydride morphology on the embrittlement of Zircaloy-4 cladding

    NASA Astrophysics Data System (ADS)

    Kim, Ju-Seong; Kim, Tae-Hoon; Kook, Dong-Hak; Kim, Yong-Soo

    2015-01-01

    Spent nuclear fuel claddings discharged from water reactors contain hydrogen up to 800 wppm depending on the burn-up and power history. During long-term dry storage, the cladding temperature slowly decreases with diminishing decay heat and absorbed hydrogen atoms are precipitated in Zr-matrix according to the terminal solid solubility of hydrogen. Under these conditions, hydrides can significantly reduce cladding ductility and impact resistance, especially when the radial hydrides are massively present in the material. In this study, the effects of hydride morphology on the embrittlement of Zircaloy-4 cladding were investigated using a ring compression test. The results show that circumferentially hydrided Zircaloy-4 cladding is brittle at room temperature but its ductility is regained substantially as the temperature goes above 150 °C. On the other hand, radially hydrided cladding remains brittle at 150 °C and micro-cracks developed in the radial hydrides can act as crack propagation paths. Fracture energy analysis shows that ductile to brittle transition temperature is low in between 25 °C and 100 °C in the former case, whereas it lies in between 200 °C and 250 °C in the latter case.

  7. On the Chemistry of Hydrides of N Atoms and O+ Ions

    NASA Astrophysics Data System (ADS)

    Awad, Zainab; Viti, Serena; Williams, David A.

    2016-08-01

    Previous work by various authors has suggested that the detection by Herschel/HIFI of nitrogen hydrides along the low-density lines of sight toward G10.6-0.4 (W31C) cannot be accounted for by gas-phase chemical models. In this paper we investigate the role of surface reactions on dust grains in diffuse regions, and we find that formation of the hydrides by surface reactions on dust grains with efficiency comparable to that for H2 formation reconciles models with observations of nitrogen hydrides. However, similar surface reactions do not contribute significantly to the hydrides of O+ ions detected by Herschel/HIFI that are present along many sight lines in the Galaxy. The O+ hydrides can be accounted for by conventional gas-phase chemistry either in diffuse clouds of very low density with normal cosmic-ray fluxes or in somewhat denser diffuse clouds with high cosmic-ray fluxes. Hydride chemistry in dense dark clouds appears to be dominated by gas-phase ion-molecule reactions.

  8. On the Chemistry of Hydrides of N Atoms and O+ Ions

    NASA Astrophysics Data System (ADS)

    Awad, Zainab; Viti, Serena; Williams, David A.

    2016-08-01

    Previous work by various authors has suggested that the detection by Herschel/HIFI of nitrogen hydrides along the low-density lines of sight toward G10.6-0.4 (W31C) cannot be accounted for by gas-phase chemical models. In this paper we investigate the role of surface reactions on dust grains in diffuse regions, and we find that formation of the hydrides by surface reactions on dust grains with efficiency comparable to that for H2 formation reconciles models with observations of nitrogen hydrides. However, similar surface reactions do not contribute significantly to the hydrides of O+ ions detected by Herschel/HIFI that are present along many sight lines in the Galaxy. The O+ hydrides can be accounted for by conventional gas-phase chemistry either in diffuse clouds of very low density with normal cosmic-ray fluxes or in somewhat denser diffuse clouds with high cosmic-ray fluxes. Hydride chemistry in dense dark clouds appears to be dominated by gas-phase ion–molecule reactions.

  9. Investigation of Lithium Metal Hydride Materials for Mitigation of Deep Space Radiation

    NASA Technical Reports Server (NTRS)

    Rojdev, Kristina; Atwell, William

    2016-01-01

    Radiation exposure to crew, electronics, and non-metallic materials is one of many concerns with long-term, deep space travel. Mitigating this exposure is approached via a multi-faceted methodology focusing on multi-functional materials, vehicle configuration, and operational or mission constraints. In this set of research, we are focusing on new multi-functional materials that may have advantages over traditional shielding materials, such as polyethylene. Metal hydride materials are of particular interest for deep space radiation shielding due to their ability to store hydrogen, a low-Z material known to be an excellent radiation mitigator and a potential fuel source. We have previously investigated 41 different metal hydrides for their radiation mitigation potential. Of these metal hydrides, we found a set of lithium hydrides to be of particular interest due to their excellent shielding of galactic cosmic radiation. Given these results, we will continue our investigation of lithium hydrides by expanding our data set to include dose equivalent and to further understand why these materials outperformed polyethylene in a heavy ion environment. For this study, we used HZETRN 2010, a one-dimensional transport code developed by NASA Langley Research Center, to simulate radiation transport through the lithium hydrides. We focused on the 1977 solar minimum Galactic Cosmic Radiation environment and thicknesses of 1, 5, 10, 20, 30, 50, and 100 g/cm2 to stay consistent with our previous studies. The details of this work and the subsequent results will be discussed in this paper.

  10. Solvent influence on the thermodynamics for hydride transfer from bis(diphosphine) complexes of nickel.

    PubMed

    Connelly Robinson, Samantha J; Zall, Christopher M; Miller, Deanna L; Linehan, John C; Appel, Aaron M

    2016-06-14

    The thermodynamic hydricity of a metal hydride can vary considerably between solvents. This parameter can be used to determine the favourability of a hydride-transfer reaction, such as the reaction between a metal hydride and CO2 to produce formate. Because the hydricities of these species do not vary consistently between solvents, reactions that are thermodynamically unfavourable in one solvent can be favourable in others. The hydricity of a water-soluble, bis-phosphine nickel hydride complex was compared to the hydricity of formate in water and in acetonitrile. Formate is a better hydride donor than [HNi(dmpe)2](+) by 7 kcal mol(-1) in acetonitrile, and no hydride transfer from [HNi(dmpe)2](+) to CO2 occurs in this solvent. The hydricity of [HNi(dmpe)2](+) is greatly improved in water relative to acetonitrile, in that reduction of CO2 to formate by [HNi(dmpe)2](+) was found to be thermodynamically downhill by 8 kcal mol(-1). Catalysis for the hydrogenation of CO2 was pursued, but the regeneration of [HNi(dmpe)2] under catalytic conditions was unfavourable. However, the present results demonstrate that the solvent dependence of thermodynamic parameters such as hydricity and acidity can be exploited in order to produce systems with balanced or favourable overall thermodynamics. This approach should be advantageous for the design of future water-soluble catalysts. PMID:27071366

  11. Metal hydrides reactors with improved dynamic characteristics for a fast cycling hydrogen compressor

    NASA Astrophysics Data System (ADS)

    Popeneciu, G.; Coldea, I.; Lupu, D.; Misan, I.; Ardelean, O.

    2009-08-01

    This paper presents an investigation of coupled heat and mass transfer process in metal hydrides hydrogen storage reactors. Hydrogen storage and compression performance of our designed and developed reactors are studied by varying the operating parameters and analyzing the effects of metal hydride bed parameters. The metal alloy selected to characterize the cycling behaviour of reactors is LaNi5, material synthesized and characterized by us in the range 20-80°C. Four types of metal hydride reactors were tested with the aim to provide a fast hydrogen absorption-desorption cycle, able to be thermally cycled at rapid rates. Some new technical solutions have been studied to make a step forward in reducing the duration of the reactors cycle, which combines the effective increase of the thermal conductivity and good permeability to hydrogen gas. Dynamic characteristic of developed fast metal hydride reactors is improved using our novel mixture metal hydride-CA conductive additive due to the increased effective thermal conductivity of the alloy bed. The advanced hydride bed design with high heat transfer capabilities can be thermally cycled at a rapid rate, under 120 seconds, in order to process high hydrogen flow rates.

  12. β-Hydride Elimination at Low-Coordinate Gold(III) Centers.

    PubMed

    Rekhroukh, Feriel; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier

    2016-09-14

    This Article reports the first comprehensive study of β-hydride elimination at gold(III). The stability/fate of gold(III) alkyl species have been investigated experimentally and computationally. A series of well-defined cationic cyclometalated gold(III) alkyl complexes [(P,C)gold(III)(R)][NTf2] [(P,C) = 8-diisopropylphosphino-naphthyl; R = Me, nPr, nBu] have been synthesized and spectroscopically characterized. While the cationic gold(III) methyl derivative 3c is stable for days at room temperature, the gold(III) n-propyl and n-butyl complexes 3a,b readily undergo β-hydride elimination at low temperature to generate propylene and 2-butenes, respectively. The formation of internal olefins from the gold(III) n-butyl complex 3b shows that olefin isomerization takes place after β-hydride elimination. Computational studies indicate that this isomerization proceeds through a chain-walking mechanism involving a highly reactive gold(III) hydride intermediate and a sequence of β-hydride elimination/reinsertion into the Au-H bond. The reaction of the cationic gold(III) methyl complex 3c with ethylene was also explored. According to (1)H and (13)C NMR spectroscopy, a mixture of propylene, 1-butene, and 2-butenes is formed. DFT calculations provide detailed mechanistic insights and support the occurrence of migratory insertion of ethylene, β-hydride elimination, and olefin exchange at gold(III). PMID:27533923

  13. Hydrogen generation using silicon nanoparticles and their mixtures with alkali metal hydrides

    NASA Astrophysics Data System (ADS)

    Patki, Gauri Dilip

    mole of Si. We compare our silicon nanoparticles (˜10nm diameter) with commercial silicon nanopowder (<100nm diameter) and ball-milled silicon powder (325 mesh). The increase in rate upon decreasing the particle size to 10 nm was even greater than would be expected based upon the increase in surface area. While specific surface area increased by a factor of 6 in going from <100 nm to ˜10 nm particles, the hydrogen production rate increased by a factor of 150. However, in all cases, silicon requires a base (e.g. NaOH, KOH, hydrazine) to catalyze its reaction with water. Metal hydrides are also promising hydrogen storage materials. The optimum metal hydride would possess high hydrogen storage density at moderate temperature and pressure, release hydrogen safely and controllably, and be stable in air. Alkali metal hydrides have high hydrogen storage density, but exhibit high uncontrollable reactivity with water. In an attempt to control this explosive nature while maintaining high storage capacity, we mixed our silicon nanoparticles with the hydrides. This has dual benefits: (1) the hydride- water reaction produces the alkali hydroxide needed for base-catalyzed silicon oxidation, and (2) dilution with 10nm coating by, the silicon may temper the reactivity of the hydride, making the process more controllable. Initially, we analyzed hydrolysis of pure alkali metal hydrides and alkaline earth metal hydrides. Lithium hydride has particularly high hydrogen gravimetric density, along with faster reaction kinetics than sodium hydride or magnesium hydride. On analysis of hydrogen production we found higher hydrogen yield from the silicon nanoparticle—metal hydride mixture than from pure hydride hydrolysis. The silicon-hydride mixtures using our 10nm silicon nanoparticles produced high hydrogen yield, exceeding the theoretical yield. Some evidence of slowing of the hydride reaction rate upon addition of silicon nanoparticles was observed.

  14. Effects of outgassing of loader chamber walls on hydriding of thin films for commercial applications

    SciTech Connect

    Provo, James L.

    2014-07-01

    An important aspect of understanding industrial processing is to know the characteristics of the materials used in such processes. A study was performed to determine the effects of hydriding chamber material on the degree of hydriding for the commercial production of thin film hydride targets for various research universities, commercial companies, and government national laboratories. The goal was to increase the degree of hydriding of various thin film hydrides and to study the vacuum environment during air-exposure hydriding. For this purpose, dynamic residual gas analysis during deuterium gas hydride processing was utilized with erbium thin films, employing a special set-up for direct dynamic hydride gas sampling during processing at elevated temperature and full loading gas pressure. Complete process data for (1) a copper–(1.83 wt. %)beryllium wet hydrogen fired passivated (600 °C–1 h) externally heated pipe hydriding chamber are reported. Dynamic residual gas analysis comparisons during hydriding are presented for hydriding chambers made from (2) alumina (99.8 wt. %), (3) copper (with an interior aluminum coating ∼10 k Å thick, and (4) for a stainless-steel air-fired passivated (900 °C–1 h) chamber. Dynamic data with deuterium gas in the chamber at the hydriding temperature (450 °C) showed the presence and growth of water vapor (D{sub 2}O) and related mixed ion species(H{sub 2}O{sup +}, HDO{sup +}, D{sub 2}O{sup +}, and OD{sup +}) from hydrogen isotope exchange reactions during the 1 h process time. Peaks at mass-to-charge ratios (i.e., m/e) of 12(C{sup +}), 16(CD{sub 2}{sup +}), 17(CHD{sub 2}{sup +}), and 18(CD{sub 3}{sup +}, OD{sup +}) increased for approximately the first half hour of a 1 h hydriding process and then approach steady state. Mass-to-charge peaks at 19(HDO{sup +}) and 20(D{sub 2}O{sup +}) continue to increase throughout the process cycle. Using the m/e = 20 (D{sub 2}O{sup +}) peak intensity from chamber (1

  15. Automated Lattice Perturbation Theory

    SciTech Connect

    Monahan, Christopher

    2014-11-01

    I review recent developments in automated lattice perturbation theory. Starting with an overview of lattice perturbation theory, I focus on the three automation packages currently "on the market": HiPPy/HPsrc, Pastor and PhySyCAl. I highlight some recent applications of these methods, particularly in B physics. In the final section I briefly discuss the related, but distinct, approach of numerical stochastic perturbation theory.

  16. Automated Pilot Advisory System

    NASA Technical Reports Server (NTRS)

    Parks, J. L., Jr.; Haidt, J. G.

    1981-01-01

    An Automated Pilot Advisory System (APAS) was developed and operationally tested to demonstrate the concept that low cost automated systems can provide air traffic and aviation weather advisory information at high density uncontrolled airports. The system was designed to enhance the see and be seen rule of flight, and pilots who used the system preferred it over the self announcement system presently used at uncontrolled airports.

  17. Automated Status Notification System

    NASA Technical Reports Server (NTRS)

    2005-01-01

    NASA Lewis Research Center's Automated Status Notification System (ASNS) was born out of need. To prevent "hacker attacks," Lewis' telephone system needed to monitor communications activities 24 hr a day, 7 days a week. With decreasing staff resources, this continuous monitoring had to be automated. By utilizing existing communications hardware, a UNIX workstation, and NAWK (a pattern scanning and processing language), we implemented a continuous monitoring system.

  18. Complex Hydride Compounds with Enhanced Hydrogen Storage Capacity

    SciTech Connect

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

    2008-02-18

    The United Technologies Research Center (UTRC), in collaboration with major partners Albemarle Corporation (Albemarle) and the Savannah River National Laboratory (SRNL), conducted research to discover new hydride materials for the storage of hydrogen having on-board reversibility and a target gravimetric capacity of ≥ 7.5 weight percent (wt %). When integrated into a system with a reasonable efficiency of 60% (mass of hydride / total mass), this target material would produce a system gravimetric capacity of ≥ 4.5 wt %, consistent with the DOE 2007 target. The approach established for the project combined first principles modeling (FPM - UTRC) with multiple synthesis methods: Solid State Processing (SSP - UTRC), Solution Based Processing (SBP - Albemarle) and Molten State Processing (MSP - SRNL). In the search for novel compounds, each of these methods has advantages and disadvantages; by combining them, the potential for success was increased. During the project, UTRC refined its FPM framework which includes ground state (0 Kelvin) structural determinations, elevated temperature thermodynamic predictions and thermodynamic / phase diagram calculations. This modeling was used both to precede synthesis in a virtual search for new compounds and after initial synthesis to examine reaction details and options for modifications including co-reactant additions. The SSP synthesis method involved high energy ball milling which was simple, efficient for small batches and has proven effective for other storage material compositions. The SBP method produced very homogeneous chemical reactions, some of which cannot be performed via solid state routes, and would be the preferred approach for large scale production. The MSP technique is similar to the SSP method, but involves higher temperature and hydrogen pressure conditions to achieve greater species mobility. During the initial phases of the project, the focus was on higher order alanate complexes in the phase space

  19. Automated Groundwater Screening

    SciTech Connect

    Taylor, Glenn A.; Collard, Leonard, B.

    2005-10-31

    The Automated Intruder Analysis has been extended to include an Automated Ground Water Screening option. This option screens 825 radionuclides while rigorously applying the National Council on Radiation Protection (NCRP) methodology. An extension to that methodology is presented to give a more realistic screening factor for those radionuclides which have significant daughters. The extension has the promise of reducing the number of radionuclides which must be tracked by the customer. By combining the Automated Intruder Analysis with the Automated Groundwater Screening a consistent set of assumptions and databases is used. A method is proposed to eliminate trigger values by performing rigorous calculation of the screening factor thereby reducing the number of radionuclides sent to further analysis. Using the same problem definitions as in previous groundwater screenings, the automated groundwater screening found one additional nuclide, Ge-68, which failed the screening. It also found that 18 of the 57 radionuclides contained in NCRP Table 3.1 failed the screening. This report describes the automated groundwater screening computer application.

  20. Automated imagery orthorectification pilot

    NASA Astrophysics Data System (ADS)

    Slonecker, E. Terrence; Johnson, Brad; McMahon, Joe

    2009-10-01

    Automated orthorectification of raw image products is now possible based on the comprehensive metadata collected by Global Positioning Systems and Inertial Measurement Unit technology aboard aircraft and satellite digital imaging systems, and based on emerging pattern-matching and automated image-to-image and control point selection capabilities in many advanced image processing systems. Automated orthorectification of standard aerial photography is also possible if a camera calibration report and sufficient metadata is available. Orthorectification of historical imagery, for which only limited metadata was available, was also attempted and found to require some user input, creating a semi-automated process that still has significant potential to reduce processing time and expense for the conversion of archival historical imagery into geospatially enabled, digital formats, facilitating preservation and utilization of a vast archive of historical imagery. Over 90 percent of the frames of historical aerial photos used in this experiment were successfully orthorectified to the accuracy of the USGS 100K base map series utilized for the geospatial reference of the archive. The accuracy standard for the 100K series maps is approximately 167 feet (51 meters). The main problems associated with orthorectification failure were cloud cover, shadow and historical landscape change which confused automated image-to-image matching processes. Further research is recommended to optimize automated orthorectification methods and enable broad operational use, especially as related to historical imagery archives.

  1. Metal hydrides: an innovative and challenging conversion reaction anode for lithium-ion batteries.

    PubMed

    Aymard, Luc; Oumellal, Yassine; Bonnet, Jean-Pierre

    2015-01-01

    The state of the art of conversion reactions of metal hydrides (MH) with lithium is presented and discussed in this review with regard to the use of these hydrides as anode materials for lithium-ion batteries. A focus on the gravimetric and volumetric storage capacities for different examples from binary, ternary and complex hydrides is presented, with a comparison between thermodynamic prediction and experimental results. MgH2 constitutes one of the most attractive metal hydrides with a reversible capacity of 1480 mA·h·g(-1) at a suitable potential (0.5 V vs Li(+)/Li(0)) and the lowest electrode polarization (<0.2 V) for conversion materials. Conversion process reaction mechanisms with lithium are subsequently detailed for MgH2, TiH2, complex hydrides Mg2MH x and other Mg-based hydrides. The reversible conversion reaction mechanism of MgH2, which is lithium-controlled, can be extended to others hydrides as: MH x + xLi(+) + xe(-) in equilibrium with M + xLiH. Other reaction paths-involving solid solutions, metastable distorted phases, and phases with low hydrogen content-were recently reported for TiH2 and Mg2FeH6, Mg2CoH5 and Mg2NiH4. The importance of fundamental aspects to overcome technological difficulties is discussed with a focus on conversion reaction limitations in the case of MgH2. The influence of MgH2 particle size, mechanical grinding, hydrogen sorption cycles, grinding with carbon, reactive milling under hydrogen, and metal and catalyst addition to the MgH2/carbon composite on kinetics improvement and reversibility is presented. Drastic technological improvement in order to the enhance conversion process efficiencies is needed for practical applications. The main goals are minimizing the impact of electrode volume variation during lithium extraction and overcoming the poor electronic conductivity of LiH. To use polymer binders to improve the cycle life of the hydride-based electrode and to synthesize nanoscale composite hydride can be helpful to

  2. Metal hydrides: an innovative and challenging conversion reaction anode for lithium-ion batteries

    PubMed Central

    Oumellal, Yassine; Bonnet, Jean-Pierre

    2015-01-01

    Summary The state of the art of conversion reactions of metal hydrides (MH) with lithium is presented and discussed in this review with regard to the use of these hydrides as anode materials for lithium-ion batteries. A focus on the gravimetric and volumetric storage capacities for different examples from binary, ternary and complex hydrides is presented, with a comparison between thermodynamic prediction and experimental results. MgH2 constitutes one of the most attractive metal hydrides with a reversible capacity of 1480 mA·h·g−1 at a suitable potential (0.5 V vs Li+/Li0) and the lowest electrode polarization (<0.2 V) for conversion materials. Conversion process reaction mechanisms with lithium are subsequently detailed for MgH2, TiH2, complex hydrides Mg2MHx and other Mg-based hydrides. The reversible conversion reaction mechanism of MgH2, which is lithium-controlled, can be extended to others hydrides as: MHx + xLi+ + xe− in equilibrium with M + xLiH. Other reaction paths—involving solid solutions, metastable distorted phases, and phases with low hydrogen content—were recently reported for TiH2 and Mg2FeH6, Mg2CoH5 and Mg2NiH4. The importance of fundamental aspects to overcome technological difficulties is discussed with a focus on conversion reaction limitations in the case of MgH2. The influence of MgH2 particle size, mechanical grinding, hydrogen sorption cycles, grinding with carbon, reactive milling under hydrogen, and metal and catalyst addition to the MgH2/carbon composite on kinetics improvement and reversibility is presented. Drastic technological improvement in order to the enhance conversion process efficiencies is needed for practical applications. The main goals are minimizing the impact of electrode volume variation during lithium extraction and overcoming the poor electronic conductivity of LiH. To use polymer binders to improve the cycle life of the hydride-based electrode and to synthesize nanoscale composite hydride can be helpful to

  3. Synthesis and characterization of metal hydride electrodes. Interim report

    SciTech Connect

    McBreen, J.; Reilly, J.J.

    1995-10-01

    The objective of this project is to elucidate the compositional and structural parameters that affect the thermodynamics, kinetics and stability of alloy hydride electrodes and to use this information in the development of new high capacity long life hydride electrodes for rechargeable batteries. The work focuses on the development of AB{sub 5} alloys and the application of in situ methods, at NSLS, such as x-ray absorption (XAS), to elucidate the role of the alloying elements in hydrogen storage and corrosion inhibition. The most significant results to date are: The decay of electrode capacity on cycling was directly related to alloy corrosion. The rate of corrosion depended in part on both the alloy composition and the partial molar volume of hydrogen, V{sub H}. The corrosion rate depended on the composition of the A component in AB{sub 5} (LaNi{sub 5} type) alloys. Partial substitution of La with Ce in AB{sub 5} alloys substantially inhibits electrode corrosion on cycling. Recent results indicate that Co also greatly inhibits electrode corrosion, possibly by minimizing V{sub H}. The AB{sub 5} alloys investigated included LaNi{sub 5}, ternary alloys (e.g. LaN{sub 4.8}Sn{sub 0.2} and La{sub 0.8}Ce{sub 0.2}Ni{sub 5}), alloys with various substitutions for both La and Ni (e.g. La{sub 0.8}Ce{sub 0.2}Ni{sub 4.8}Sn{sub 0.2}) and mischmetal (Mm) alloys of the type normally used in batteries, such as MmB{sub 5} (B = Ni{sub 3.55}Mn{sub 0.4}A1{sub 0.3}Co{sub 0.75}). A major effort was devoted to the effects of La substitution in the A component. Both in situ and ex situ XAS measurements are used to study the electronic effects that occur on the addition of various metal substitutions and on the ingress of hydrogen.

  4. Homogeneous hydride formation path in α-Zr: Molecular dynamics simulations with the charge-optimized many-body potential

    DOE PAGES

    Zhang, Yongfeng; Bai, Xian-Ming; Yu, Jianguo; Tonks, Michael R.; Noordhoek, Mark J.; Phillpot, Simon R.

    2016-06-01

    A formation path for homogeneous γ hydride formation in hcp α-Zr, from solid solution to the ζ and then the γ hydride, was demonstrated using molecular static calculations and molecular dynamic simulations with the charge-optimized many-body (COMB) potential. Hydrogen has limited solubility in α-Zr. Once the solubility limit is exceeded, the stability of solid solution gives way to that of coherent hydride phases such as the ζ hydride by planar precipitation of hydrogen. At finite temperatures, the ζ hydride goes through a partial hcp-fcc transformation via 1/3 <1¯100> slip on the basal plane, and transforms into a mixture of γmore » hydride and α-Zr. In the ζ hydride, slip on the basal plane is favored thermodynamically with negligible barrier, and is therefore feasible at finite temperatures without mechanical loading. The transformation process involves slips of three equivalent shear partials, in contrast to that proposed in the literature where only a single shear partial was involved. The adoption of multiple slip partials minimizes the macroscopic shape change of embedded hydride clusters and the shear strain accumulation in the matrix, and thus reduces the overall barrier needed for homogeneous γ hydride formation. In conclusion, this formation path requires finite temperatures for hydrogen diffusion without mechanical loading. Therefore, it should be effective at the cladding operating conditions.« less

  5. Vibration and shock test report for the H1616-1 container and the Savannah River Hydride Transport Vessel

    SciTech Connect

    York, A.R. II; Joseph, B.J.

    1992-11-01

    Sandia National Laboratories performed random vibration and shock tests on a tritium hydride transport vessel that was packaged in an H1616-1 container. The objective of the tests was to determine if the hydride transport vessel remains leaktight under vibration and shock normally incident to transport, which is a requirement that the hydride transport vessel must meet to be shipped in the H1616-1. Helium leak tests before and after the vibration and shock tests showed that the hydride transport vessel remained leaktight under the specified conditions. There were no detrimental effects on the containment vessel of the H1616-1.

  6. Urinary arsenic levels influenced by abandoned mine tailings in the Southernmost Baja California Peninsula, Mexico.

    PubMed

    Colín-Torres, Carlos G; Murillo-Jiménez, Janette M; Del Razo, Luz M; Sánchez-Peña, Luz C; Becerra-Rueda, Oscar F; Marmolejo-Rodríguez, Ana J

    2014-10-01

    Gold has been mined at San Antonio-El Triunfo, (Baja California Sur, Mexico) since the 18th century. This area has approximately 5,700 inhabitants living in the San Juan de Los Planes and El Carrizal hydrographic basins, close to more than 100 abandoned mining sites containing tailings contaminated with potentially toxic elements such as arsenic. To evaluate the arsenic exposure of humans living in the surrounding areas, urinary arsenic species, such as inorganic arsenic (iAs) and the metabolites mono-methylated (MMA) and di-methylated arsenic acids (DMA), were evaluated in 275 residents (18-84 years of age). Arsenic species in urine were analyzed by hydride generation-cryotrapping-atomic absorption spectrometry, which excludes the non-toxic forms of arsenic such as those found in seafood. Urinary samples contained a total arsenic concentration (sum of arsenical species) which ranged from 1.3 to 398.7 ng mL(-1), indicating 33% of the inhabitants exceeded the biological exposition index (BEI = 35 ng mL(-1)), the permissible limit for occupational exposure. The mean relative urinary arsenic species were 9, 11 and 80% for iAs, MMA and DMA, respectively, in the Los Planes basin, and 17, 10 and 73%, respectively, in the El Carrizal basin. These data indicated that environmental intervention is required to address potential health issues in this area. PMID:24737417

  7. Pressure and high-Tc superconductivity in sulfur hydrides

    PubMed Central

    Gor’kov, Lev P.; Kresin, Vladimir Z.

    2016-01-01

    The paper discusses fundamentals of record-TC superconductivity discovered under high pressure in sulfur hydride. The rapid increase of TC with pressure in the vicinity of Pcr ≈ 123GPa is interpreted as the fingerprint of a first-order structural transition. Based on the cubic symmetry of the high-TC phase, it is argued that the lower-TC phase has a different periodicity, possibly related to an instability with a commensurate structural vector. In addition to the acoustic branches, the phonon spectrum of H3S contains hydrogen modes with much higher frequencies. Because of the complex spectrum, usual methods of calculating TC are here inapplicable. A modified approach is formulated and shown to provide realistic values for TC and to determine the relative contributions of optical and acoustic branches. The isotope effect (change of TC upon Deuterium for Hydrogen substitution) originates from high frequency phonons and differs in the two phases. The decrease of TC following its maximum in the high-TC phase is a sign of intermixing with pairing at hole-like pockets which arise in the energy spectrum of the cubic phase at the structural transition. On-pockets pairing leads to the appearance of a second gap and is remarkable for its non-adiabatic regime: hydrogen mode frequencies are comparable to the Fermi energy. PMID:27167334

  8. Pressure and high-Tc superconductivity in sulfur hydrides

    NASA Astrophysics Data System (ADS)

    Gor’Kov, Lev P.; Kresin, Vladimir Z.

    2016-05-01

    The paper discusses fundamentals of record-TC superconductivity discovered under high pressure in sulfur hydride. The rapid increase of TC with pressure in the vicinity of Pcr ≈ 123GPa is interpreted as the fingerprint of a first-order structural transition. Based on the cubic symmetry of the high-TC phase, it is argued that the lower-TC phase has a different periodicity, possibly related to an instability with a commensurate structural vector. In addition to the acoustic branches, the phonon spectrum of H3S contains hydrogen modes with much higher frequencies. Because of the complex spectrum, usual methods of calculating TC are here inapplicable. A modified approach is formulated and shown to provide realistic values for TC and to determine the relative contributions of optical and acoustic branches. The isotope effect (change of TC upon Deuterium for Hydrogen substitution) originates from high frequency phonons and differs in the two phases. The decrease of TC following its maximum in the high-TC phase is a sign of intermixing with pairing at hole-like pockets which arise in the energy spectrum of the cubic phase at the structural transition. On-pockets pairing leads to the appearance of a second gap and is remarkable for its non-adiabatic regime: hydrogen mode frequencies are comparable to the Fermi energy.

  9. Solid State NMR Studies of the Aluminum Hydride Phases

    NASA Technical Reports Server (NTRS)

    Hwang, Son-Jong; Bowman, R. C., Jr.; Graetz, Jason; Reilly, J. J.

    2006-01-01

    Several solid state NMR techniques including magic-angle-spinning (MAS) and multiple-quantum (MQ) MAS experiments have been used to characterize various AlH3 samples. MAS-NMR spectra for the 1H and 27Al nuclei have been obtained on a variety of AlH3 samples that include the (beta)- and (gamma)- phases as well as the most stable (alpha)-phase. While the dominant components in these NMR spectra correspond to the aluminum hydride phases, other species were found that include Al metal, molecular hydrogen (H2), as well as peaks that can be assigned to Al-O species in different configurations. The occurrence and concentration of these extraneous components are dependent upon the initial AlH3 phase composition and preparation procedures. Both the (beta)-AlH3 and (gamma)-AlH3 phases were found to generate substantial amounts of Al metal when the materials were stored at room temperature while the (alpha)-phase materials do not exhibit these changes.

  10. Hydrogen and Dihydrogen Bonds in the Reactions of Metal Hydrides.

    PubMed

    Belkova, Natalia V; Epstein, Lina M; Filippov, Oleg A; Shubina, Elena S

    2016-08-10

    The dihydrogen bond-an interaction between a transition-metal or main-group hydride (M-H) and a protic hydrogen moiety (H-X)-is arguably the most intriguing type of hydrogen bond. It was discovered in the mid-1990s and has been intensively explored since then. Herein, we collate up-to-date experimental and computational studies of the structural, energetic, and spectroscopic parameters and natures of dihydrogen-bonded complexes of the form M-H···H-X, as such species are now known for a wide variety of hydrido compounds. Being a weak interaction, dihydrogen bonding entails the lengthening of the participating bonds as well as their polarization (repolarization) as a result of electron density redistribution. Thus, the formation of a dihydrogen bond allows for the activation of both the MH and XH bonds in one step, facilitating proton transfer and preparing these bonds for further transformations. The implications of dihydrogen bonding in different stoichiometric and catalytic reactions, such as hydrogen exchange, alcoholysis and aminolysis, hydrogen evolution, hydrogenation, and dehydrogenation, are discussed. PMID:27285818

  11. Synthesis and Hydrogen Desorption Properties of Aluminum Hydrides.

    PubMed

    Jeong, Wanseop; Lee, Sang-Hwa; Kim, Jaeyong

    2016-03-01

    Aluminum hydride (AlH3 or alane) is known to store maximum 10.1 wt.% of hydrogen at relatively low temperature (< 100 degrees C), which partially fulfills the U.S. department of energy requirements for gravimetric loading capacity. However, its detailed mechanisms of appearing of different phases, structural stability, and dynamics of hydrogen desorption are still not clear. To understand the desorption properties of hydrogen in alane, thermodynamically stable α-AlH3 was synthesized by employing an ethereal reaction method. The dependence of pathways on phase formation and the properties of hydrogen evolution were investigated, and the results were compared with the ones for γ-AlH3. It was found that γ-AlH3 requires 10 degrees C higher than that of γ-AlH3 to form, and its decomposition rate demonstrated enhanced endothermic stabilities. For desorption, all hydrogen atoms of alane evolved under an isothermal condition at 138 degrees C in less than 1 hour, and the sample completely transformed to pure aluminum. Our results show that the total amount of desorbed hydrogen from α-AlH3 exceeded 9.05 wt.%, with a possibility of further increase. Easy synthesis, thermal stability, and a large amount of hydrogen desorption of alane fulfill the requirements for light-weight hydrogen storage materials once the pathway of hydrogen cycling is provided. PMID:27455747

  12. Synthesis and Hydrogen Desorption Properties of Aluminum Hydrides.

    PubMed

    Jeong, Wanseop; Lee, Sang-Hwa; Kim, Jaeyong

    2016-03-01

    Aluminum hydride (AlH3 or alane) is known to store maximum 10.1 wt.% of hydrogen at relatively low temperature (< 100 degrees C), which partially fulfills the U.S. department of energy requirements for gravimetric loading capacity. However, its detailed mechanisms of appearing of different phases, structural stability, and dynamics of hydrogen desorption are still not clear. To understand the desorption properties of hydrogen in alane, thermodynamically stable α-AlH3 was synthesized by employing an ethereal reaction method. The dependence of pathways on phase formation and the properties of hydrogen evolution were investigated, and the results were compared with the ones for γ-AlH3. It was found that γ-AlH3 requires 10 degrees C higher than that of γ-AlH3 to form, and its decomposition rate demonstrated enhanced endothermic stabilities. For desorption, all hydrogen atoms of alane evolved under an isothermal condition at 138 degrees C in less than 1 hour, and the sample completely transformed to pure aluminum. Our results show that the total amount of desorbed hydrogen from α-AlH3 exceeded 9.05 wt.%, with a possibility of further increase. Easy synthesis, thermal stability, and a large amount of hydrogen desorption of alane fulfill the requirements for light-weight hydrogen storage materials once the pathway of hydrogen cycling is provided.

  13. Electronic structure and crystal phase stability of palladium hydrides

    SciTech Connect

    Houari, Abdesalem; Matar, Samir F.; Eyert, Volker

    2014-11-07

    The results of electronic structure calculations for a variety of palladium hydrides are presented. The calculations are based on density functional theory and used different local and semilocal approximations. The thermodynamic stability of all structures as well as the electronic and chemical bonding properties are addressed. For the monohydride, taking into account the zero-point energy is important to identify the octahedral Pd-H arrangement with its larger voids and, hence, softer hydrogen vibrational modes as favorable over the tetrahedral arrangement as found in the zincblende and wurtzite structures. Stabilization of the rocksalt structure is due to strong bonding of the 4d and 1s orbitals, which form a characteristic split-off band separated from the main d-band group. Increased filling of the formerly pure d states of the metal causes strong reduction of the density of states at the Fermi energy, which undermines possible long-range ferromagnetic order otherwise favored by strong magnetovolume effects. For the dihydride, octahedral Pd-H arrangement as realized, e.g., in the pyrite structure turns out to be unstable against tetrahedral arrangement as found in the fluorite structure. Yet, from both heat of formation and chemical bonding considerations, the dihydride turns out to be less favorable than the monohydride. Finally, the vacancy ordered defect phase Pd{sub 3}H{sub 4} follows the general trend of favoring the octahedral arrangement of the rocksalt structure for Pd:H ratios less or equal to one.

  14. On the thermodynamics of phase transitions in metal hydrides

    NASA Astrophysics Data System (ADS)

    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 TiHx, 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.

  15. 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.

  16. NMR study of hydrogen diffusion in zirconium hydride

    SciTech Connect

    Korn, C.; Goren, S.D.

    1986-01-01

    The nuclear-magnetic-resonance method was used to study the diffusion of hydrogen in zirconium hydride by measuring the temperature dependence of T/sub 1/ in a temperature range where the major relaxation mechanism was due to hydrogen diffusion. The samples investigated were ZrH/sub 1.588/, ZrH/sub 1.629/, ZrH/sub 1.684/, ZrH/sub 1.736/, ZrH/sub 1.815/, ZrH/sub 1.910/, and ZrH/sub 1.960/. These spanned both the cubic and tetragonal phases. The activation energy was found to be independent of hydrogen concentration in the cubic phase with E/sub a/ = 13.4 +- 0.4 kcal/mol and a preexponential factor given by A = (1/2)(2-x)(45 +- 10) x 10/sup 12/ Hz. In the tetragonal phase the activation energy of the bulk of the hydrogen increased modestly with concentration. In addition, it was discovered that a new very fast hydrogen channel was created by the tetragonality for approx.3% of the hydrogen. They jump with a preexponential factor that is about 2 orders of magnitude larger than that of the rest of the hydrogen. A comparison was also made between the Bloembergen-Purcell-Pound, the Barton-Sholl, and the Bustard theories for nuclear magnetic relaxation due to diffusion.

  17. NMR study of hydrogen diffusion in zirconium hydride

    NASA Astrophysics Data System (ADS)

    Korn, C.; Goren, S. D.

    1986-01-01

    The nuclear-magnetic-resonance method was used to study the diffusion of hydrogen in zirconium hydride by measuring the temperature dependence of T1 in a temperature range where the major relaxation mechanism was due to hydrogen diffusion. The samples investigated were ZrH1.588, ZrH1.629, ZrH1.684, ZrH1.736, ZrH1.815, ZrH1.910, and ZrH1.960. These spanned both the cubic and tetragonal phases. The activation energy was found to be independent of hydrogen concentration in the cubic phase with Ea=13.4+/-0.4 kcal/mol and a preexponential factor given by A=(1/2)(2-x)(45+/-10)×1012 Hz. In the tetragonal phase the activation energy of the bulk of the hydrogen increased modestly with concentration. In addition, it was discovered that a new very fast hydrogen channel was created by the tetragonality for ~3% of the hydrogen. They jump with a preexponential factor that is about 2 orders of magnitude larger than that of the rest of the hydrogen. A comparison was also made between the Bloembergen-Purcell-Pound, the Barton-Sholl, and the Bustard theories for nuclear magnetic relaxation due to diffusion.

  18. Metal Hydrides Form Halogen Bonds: Measurement of Energetics of Binding

    PubMed Central

    2013-01-01

    The formation of halogen bonds from iodopentafluorobenzene and 1-iodoperfluorohexane to a series of bis(η5-cyclopentadienyl)metal hydrides (Cp2TaH3, 1; Cp2MH2, M = Mo, 2, M = W, 3; Cp2ReH, 4; Cp2Ta(H)CO, 5; Cp = η5-cyclopentadienyl) is demonstrated by 1H NMR spectroscopy. Interaction enthalpies and entropies for complex 1 with C6F5I and C6F13I are reported (ΔH° = −10.9 ± 0.4 and −11.8 ± 0.3 kJ/mol; ΔS° = −38 ± 2 and −34 ± 2 J/(mol·K), respectively) and found to be stronger than those for 1 with the hydrogen-bond donor indole (ΔH° = −7.3 ± 0.1 kJ/mol, ΔS° = −24 ± 1 J/(mol·K)). For the more reactive complexes 2–5, measurements are limited to determination of their low-temperature (212 K) association constants with C6F5I as 2.9 ± 0.2, 2.5 ± 0.1, <1.5, and 12.5 ± 0.3 M–1, respectively. PMID:24380577

  19. Hydrometallurgical treatment of nickel-metal hydride battery electrodes

    SciTech Connect

    Lyman, J.W.; Palmer, G.R.

    1995-12-31

    Nickel-metal hydride (Ni-MH) battery electrodes have been developed as a substitute for cadmium-containing negative electrodes. Use of NI-MH electrodes offers enhanced electrochemical properties in many instances as well as reduced environmental toxicity. Rechargeable batteries using NI-MH electrodes are also strong candidates for electric vehicles. During the production and secondary reclamation of these battery types, recycling procedures will be needed to prevent environmental impact caused by these wastes as well as to recover the value inherent in the scrap. The US Bureau of Mines (USBM) is investigating hydrometallurgical technology that separates and recovers purified metallic components from Ni-MH battery scrap of two types, AB{sub 2} and AB{sub 5}. An investigation of acid dissolution and metal recovery techniques has determined several processing alternatives that may be used to promote the successful recycling of much of the battery fabrication scrap and eventual secondary scrap. The metals recovered are Ni, Co, and rare earth metals. Although recovery techniques have been identified in principal, their applicability to mixed battery waste stream and economic attractiveness remain to be demonstrated.

  20. Automated telescope scheduling

    NASA Technical Reports Server (NTRS)

    Johnston, Mark D.

    1988-01-01

    With the ever increasing level of automation of astronomical telescopes the benefits and feasibility of automated planning and scheduling are becoming more apparent. Improved efficiency and increased overall telescope utilization are the most obvious goals. Automated scheduling at some level has been done for several satellite observatories, but the requirements on these systems were much less stringent than on modern ground or satellite observatories. The scheduling problem is particularly acute for Hubble Space Telescope: virtually all observations must be planned in excruciating detail weeks to months in advance. Space Telescope Science Institute has recently made significant progress on the scheduling problem by exploiting state-of-the-art artificial intelligence software technology. What is especially interesting is that this effort has already yielded software that is well suited to scheduling groundbased telescopes, including the problem of optimizing the coordinated scheduling of more than one telescope.

  1. Materials Testing and Automation

    NASA Astrophysics Data System (ADS)

    Cooper, Wayne D.; Zweigoron, Ronald B.

    1980-07-01

    The advent of automation in materials testing has been in large part responsible for recent radical changes in the materials testing field: Tests virtually impossible to perform without a computer have become more straightforward to conduct. In addition, standardized tests may be performed with enhanced efficiency and repeatability. A typical automated system is described in terms of its primary subsystems — an analog station, a digital computer, and a processor interface. The processor interface links the analog functions with the digital computer; it includes data acquisition, command function generation, and test control functions. Features of automated testing are described with emphasis on calculated variable control, control of a variable that is computed by the processor and cannot be read directly from a transducer. Three calculated variable tests are described: a yield surface probe test, a thermomechanical fatigue test, and a constant-stress-intensity range crack-growth test. Future developments are discussed.

  2. Automated Factor Slice Sampling

    PubMed Central

    Tibbits, Matthew M.; Groendyke, Chris; Haran, Murali; Liechty, John C.

    2013-01-01

    Markov chain Monte Carlo (MCMC) algorithms offer a very general approach for sampling from arbitrary distributions. However, designing and tuning MCMC algorithms for each new distribution, can be challenging and time consuming. It is particularly difficult to create an efficient sampler when there is strong dependence among the variables in a multivariate distribution. We describe a two-pronged approach for constructing efficient, automated MCMC algorithms: (1) we propose the “factor slice sampler”, a generalization of the univariate slice sampler where we treat the selection of a coordinate basis (factors) as an additional tuning parameter, and (2) we develop an approach for automatically selecting tuning parameters in order to construct an efficient factor slice sampler. In addition to automating the factor slice sampler, our tuning approach also applies to the standard univariate slice samplers. We demonstrate the efficiency and general applicability of our automated MCMC algorithm with a number of illustrative examples. PMID:24955002

  3. Automation in medicinal chemistry.

    PubMed

    Reader, John C

    2004-01-01

    The implementation of appropriate automation can make a significant improvement in productivity at each stage of the drug discovery process, if it is incorporated into an efficient overall process. Automated chemistry has evolved rapidly from the 'combinatorial' techniques implemented in many industrial laboratories in the early 1990's which focused primarily on the hit discovery phase, and were highly dependent on solid-phase techniques and instrumentation derived from peptide synthesis. Automated tools and strategies have been developed which can impact the hit discovery, hit expansion and lead optimization phases, not only in synthesis, but also in reaction optimization, work-up, and purification of compounds. This article discusses the implementation of some of these techniques, based especially on experiences at Millennium Pharmaceuticals Research and Development Ltd.

  4. Automated Camera Calibration

    NASA Technical Reports Server (NTRS)

    Chen, Siqi; Cheng, Yang; Willson, Reg

    2006-01-01

    Automated Camera Calibration (ACAL) is a computer program that automates the generation of calibration data for camera models used in machine vision systems. Machine vision camera models describe the mapping between points in three-dimensional (3D) space in front of the camera and the corresponding points in two-dimensional (2D) space in the camera s image. Calibrating a camera model requires a set of calibration data containing known 3D-to-2D point correspondences for the given camera system. Generating calibration data typically involves taking images of a calibration target where the 3D locations of the target s fiducial marks are known, and then measuring the 2D locations of the fiducial marks in the images. ACAL automates the analysis of calibration target images and greatly speeds the overall calibration process.

  5. Power subsystem automation study

    NASA Technical Reports Server (NTRS)

    Imamura, M. S.; Moser, R. L.; Veatch, M.

    1983-01-01

    Generic power-system elements and their potential faults are identified. Automation functions and their resulting benefits are defined and automation functions between power subsystem, central spacecraft computer, and ground flight-support personnel are partitioned. All automation activities were categorized as data handling, monitoring, routine control, fault handling, planning and operations, or anomaly handling. Incorporation of all these classes of tasks, except for anomaly handling, in power subsystem hardware and software was concluded to be mandatory to meet the design and operational requirements of the space station. The key drivers are long mission lifetime, modular growth, high-performance flexibility, a need to accommodate different electrical user-load equipment, onorbit assembly/maintenance/servicing, and potentially large number of power subsystem components. A significant effort in algorithm development and validation is essential in meeting the 1987 technology readiness date for the space station.

  6. Automated fiber pigtailing technology

    NASA Astrophysics Data System (ADS)

    Strand, O. T.; Lowry, M. E.; Lu, S. Y.; Nelson, D. C.; Nikkel, D. J.; Pocha, M. D.; Young, K. D.

    1994-02-01

    The high cost of optoelectronic (OE) devices is due mainly to the labor-intensive packaging process. Manually pigtailing such devices as single-mode laser diodes and modulators is very time consuming with poor quality control. The Photonics Program and the Engineering Research Division at LLNL are addressing several issues associated with automatically packaging OE devices. A furry automated system must include high-precision fiber alignment, fiber attachment techniques, in-situ quality control, and parts handling and feeding. This paper will present on-going work at LLNL in the areas of automated fiber alignment and fiber attachment. For the fiber alignment, we are building an automated fiber pigtailing machine (AFPM) which combines computer vision and object recognition algorithms with active feedback to perform sub-micron alignments of single-mode fibers to modulators and laser diodes. We expect to perform sub-micron alignments in less than five minutes with this technology. For fiber attachment, we are building various geometries of silicon microbenches which include on-board heaters to solder metal-coated fibers and other components in place; these designs are completely compatible with an automated process of OE packaging. We have manually attached a laser diode, a thermistor, and a thermo-electric heater to one of our microbenches in less than 15 minutes using the on-board heaters for solder reflow; an automated process could perform this same exercise in only a few minutes. Automated packaging techniques such as these will help lower the costs of OE devices.

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

    NASA Astrophysics Data System (ADS)

    Dzierlenga, Michael; Antoniou, Dimitri; Schwartz, Steven

    2015-03-01

    The mechanisms involved in enzymatic hydride transfer have been studies for years but questions remain, due to the difficulty in determining the participation of protein dynamics and quantum effects, especially 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 lactate dehydrogenase (LDH). Calculation of the work applied to the hydride during the reaction allows for observation of the change in barrier height due to inclusion of quantum effects. Additionally, the same calculations were performed using deuterium as the transferring particle to validate our methods with experimentally measured kinetic isotope effects. The change in barrier height in YADH upon inclusion of quantum effects is indicative of a zero-point energy contribution, and is evidence that the protein mediates a near-barrierless transfer of the rate-limiting hydride. Calculation of kinetic isotope effects using the average difference in barrier between hydride and deuteride agreed well with experimental results. The authors acknowledge the support of the National Institutes of Health Grants GM068036 and GM102226.

  8. Characterization of nano-scaled metal-hydrides confined in nano-porous carbon frameworks

    NASA Astrophysics Data System (ADS)

    Peaslee, David Edward

    Metal hydrides are currently being studied to provide hydrogen for use in fuel cells and for transportation applications. Hydrogen can be stored in chemical compounds at higher density and lower volume than liquid H2 or compressed gas. Thermodynamic properties of metal hydrides differ between bulk and nano-sized particles. Many metal hydrides with useful volumetric and gravimetric capacities have high decomposition temperatures, but when placed in nano-sized frameworks (or templates) desorption and adsorption temperatures can be fine-tuned to meet engineering requirements for real-world systems. Additionally, some metal hydrides have shown a change in the decomposition pathway when infiltrated into these frameworks, thereby reducing the amount of unwanted byproducts, and potentially improving the cyclability of the material. The Temperature Programmed Decomposition Mass Spectrum Residual Gas Analyzer can be used to characterize gas desorption, decomposition temperatures, picogram changes in mass, and ionization energies for a variety of materials and gasses. The goal of the system is to characterize desorption of the hydrogen (including byproduct gasses) and the decomposition of the metal hydrides. The experimental apparatus is composed of four main components: the residual gas analyzer (RGA), the low temperature stage quartz crystal microbalance (QCM), the high temperature heating stage, and two vacuum chambers separated by a small flow hole which allows a direct line-of-site to the RGA.

  9. Phase Diagram and High-Temperature Superconductivity of Compressed Selenium Hydrides

    NASA Astrophysics Data System (ADS)

    Zhang, Shoutao; Wang, Yanchao; Zhang, Jurong; Liu, Hanyu; Zhong, Xin; Song, Hai-Feng; Yang, Guochun; Zhang, Lijun; Ma, Yanming

    2015-10-01

    Recent discovery of high-temperature superconductivity (Tc = 190 K) in sulfur hydrides at megabar pressures breaks the traditional belief on the Tc limit of 40 K for conventional superconductors, and opens up the doors in searching new high-temperature superconductors in compounds made up of light elements. Selenium is a sister and isoelectronic element of sulfur, with a larger atomic core and a weaker electronegativity. Whether selenium hydrides share similar high-temperature superconductivity remains elusive, but it is a subject of considerable interest. First-principles swarm structure predictions are performed in an effort to seek for energetically stable and metallic selenium hydrides at high pressures. We find the phase diagram of selenium hydrides is rather different from its sulfur analogy, which is indicated by the emergence of new phases and the change of relative stabilities. Three stable and metallic species with stoichiometries of HSe2, HSe and H3Se are identified above ~120 GPa and they all exhibit superconductive behaviors, of which the hydrogen-rich HSe and H3Se phases show high Tc in the range of 40-110 K. Our simulations established the high-temperature superconductive nature of selenium hydrides and provided useful route for experimental verification.

  10. Phase Diagram and High-Temperature Superconductivity of Compressed Selenium Hydrides

    PubMed Central

    Zhang, Shoutao; Wang, Yanchao; Zhang, Jurong; Liu, Hanyu; Zhong, Xin; Song, Hai-Feng; Yang, Guochun; Zhang, Lijun; Ma, Yanming

    2015-01-01

    Recent discovery of high-temperature superconductivity (Tc = 190 K) in sulfur hydrides at megabar pressures breaks the traditional belief on the Tc limit of 40 K for conventional superconductors, and opens up the doors in searching new high-temperature superconductors in compounds made up of light elements. Selenium is a sister and isoelectronic element of sulfur, with a larger atomic core and a weaker electronegativity. Whether selenium hydrides share similar high-temperature superconductivity remains elusive, but it is a subject of considerable interest. First-principles swarm structure predictions are performed in an effort to seek for energetically stable and metallic selenium hydrides at high pressures. We find the phase diagram of selenium hydrides is rather different from its sulfur analogy, which is indicated by the emergence of new phases and the change of relative stabilities. Three stable and metallic species with stoichiometries of HSe2, HSe and H3Se are identified above ~120 GPa and they all exhibit superconductive behaviors, of which the hydrogen-rich HSe and H3Se phases show high Tc in the range of 40–110 K. Our simulations established the high-temperature superconductive nature of selenium hydrides and provided useful route for experimental verification. PMID:26490223

  11. Phase Diagram and High-Temperature Superconductivity of Compressed Selenium Hydrides.

    PubMed

    Zhang, Shoutao; Wang, Yanchao; Zhang, Jurong; Liu, Hanyu; Zhong, Xin; Song, Hai-Feng; Yang, Guochun; Zhang, Lijun; Ma, Yanming

    2015-01-01

    Recent discovery of high-temperature superconductivity (Tc = 190 K) in sulfur hydrides at megabar pressures breaks the traditional belief on the Tc limit of 40 K for conventional superconductors, and opens up the doors in searching new high-temperature superconductors in compounds made up of light elements. Selenium is a sister and isoelectronic element of sulfur, with a larger atomic core and a weaker electronegativity. Whether selenium hydrides share similar high-temperature superconductivity remains elusive, but it is a subject of considerable interest. First-principles swarm structure predictions are performed in an effort to seek for energetically stable and metallic selenium hydrides at high pressures. We find the phase diagram of selenium hydrides is rather different from its sulfur analogy, which is indicated by the emergence of new phases and the change of relative stabilities. Three stable and metallic species with stoichiometries of HSe2, HSe and H3Se are identified above ~120 GPa and they all exhibit superconductive behaviors, of which the hydrogen-rich HSe and H3Se phases show high Tc in the range of 40-110 K. Our simulations established the high-temperature superconductive nature of selenium hydrides and provided useful route for experimental verification. PMID:26490223

  12. Hydrogen transmission/storage with a metal hydride/organic slurry

    SciTech Connect

    Breault, R.W.; Rolfe, J.; McClaine, A.

    1998-08-01

    Thermo Power Corporation has developed a new approach for the production, transmission, and storage of hydrogen. In this approach, a chemical hydride slurry is used as the hydrogen carrier and storage media. The slurry protects the hydride from unanticipated contact with moisture in the air and makes the hydride pumpable. At the point of storage and use, a chemical hydride/water reaction is used to produce high-purity hydrogen. An essential feature of this approach is the recovery and recycle of the spent hydride at centralized processing plants, resulting in an overall low cost for hydrogen. This approach has two clear benefits: it greatly improves energy transmission and storage characteristics of hydrogen as a fuel, and it produces the hydrogen carrier efficiently and economically from a low cost carbon source. The preliminary economic analysis of the process indicates that hydrogen can be produced for $3.85 per million Btu based on a carbon cost of $1.42 per million Btu and a plant sized to serve a million cars per day. This compares to current costs of approximately $9.00 per million Btu to produce hydrogen from $3.00 per million Btu natural gas, and $25 per million Btu to produce hydrogen by electrolysis from $0.05 per Kwh electricity. The present standard for production of hydrogen from renewable energy is photovoltaic-electrolysis at $100 to $150 per million Btu.

  13. Automated gas chromatography

    DOEpatents

    Mowry, Curtis D.; Blair, Dianna S.; Rodacy, Philip J.; Reber, Stephen D.

    1999-01-01

    An apparatus and process for the continuous, near real-time monitoring of low-level concentrations of organic compounds in a liquid, and, more particularly, a water stream. A small liquid volume of flow from a liquid process stream containing organic compounds is diverted by an automated process to a heated vaporization capillary where the liquid volume is vaporized to a gas that flows to an automated gas chromatograph separation column to chromatographically separate the organic compounds. Organic compounds are detected and the information transmitted to a control system for use in process control. Concentrations of organic compounds less than one part per million are detected in less than one minute.

  14. Ground based automated telescope

    SciTech Connect

    Colgate, S.A.; Thompson, W.

    1980-01-01

    Recommendation that a ground-based automated telescope of the 2-meter class be built for remote multiuser use as a natural facility. Experience dictates that a primary consideration is a time shared multitasking operating system with virtual memory overlayed with a real time priority interrupt. The primary user facility is a remote terminal networked to the single computer. Many users must have simultaneous time shared access to the computer for program development. The telescope should be rapid slewing, and hence a light weight construction. Automation allows for the closed loop pointing error correction independent of extreme accuracy of the mount.

  15. Automated software development workstation

    NASA Technical Reports Server (NTRS)

    1986-01-01

    Engineering software development was automated using an expert system (rule-based) approach. The use of this technology offers benefits not available from current software development and maintenance methodologies. A workstation was built with a library or program data base with methods for browsing the designs stored; a system for graphical specification of designs including a capability for hierarchical refinement and definition in a graphical design system; and an automated code generation capability in FORTRAN. The workstation was then used in a demonstration with examples from an attitude control subsystem design for the space station. Documentation and recommendations are presented.

  16. Automating the CMS DAQ

    SciTech Connect

    Bauer, G.; et al.

    2014-01-01

    We present the automation mechanisms that have been added to the Data Acquisition and Run Control systems of the Compact Muon Solenoid (CMS) experiment during Run 1 of the LHC, ranging from the automation of routine tasks to automatic error recovery and context-sensitive guidance to the operator. These mechanisms helped CMS to maintain a data taking efficiency above 90% and to even improve it to 95% towards the end of Run 1, despite an increase in the occurrence of single-event upsets in sub-detector electronics at high LHC luminosity.

  17. Automated knowledge generation

    NASA Technical Reports Server (NTRS)

    Myler, Harley R.; Gonzalez, Avelino J.

    1988-01-01

    The general objectives of the NASA/UCF Automated Knowledge Generation Project were the development of an intelligent software system that could access CAD design data bases, interpret them, and generate a diagnostic knowledge base in the form of a system model. The initial area of concentration is in the diagnosis of the process control system using the Knowledge-based Autonomous Test Engineer (KATE) diagnostic system. A secondary objective was the study of general problems of automated knowledge generation. A prototype was developed, based on object-oriented language (Flavors).

  18. Automation of analytical isotachophoresis

    NASA Technical Reports Server (NTRS)

    Thormann, Wolfgang

    1985-01-01

    The basic features of automation of analytical isotachophoresis (ITP) are reviewed. Experimental setups consisting of narrow bore tubes which are self-stabilized against thermal convection are considered. Sample detection in free solution is discussed, listing the detector systems presently used or expected to be of potential use in the near future. The combination of a universal detector measuring the evolution of ITP zone structures with detector systems specific to desired components is proposed as a concept of an automated chemical analyzer based on ITP. Possible miniaturization of such an instrument by means of microlithographic techniques is discussed.

  19. Human Factors In Aircraft Automation

    NASA Technical Reports Server (NTRS)

    Billings, Charles

    1995-01-01

    Report presents survey of state of art in human factors in automation of aircraft operation. Presents examination of aircraft automation and effects on flight crews in relation to human error and aircraft accidents.

  20. Silica hydride intermediate for octadecylsilica and phenyl bonded phase preparation via heterogeneous hydrosilation in supercritical carbon dioxide.

    PubMed

    Scully, N M; Ashu-Arrah, B A; Nagle, A P; Omamogho, J O; O'Sullivan, G P; Friebolin, V; Dietrich, B; Albert, K; Glennon, J D

    2011-04-15

    Investigations into the preparation of silica hydride intermediate in supercritical carbon dioxide (sc-CO(2)) that avoids the use of organic solvents such as toluene or dioxane are described. The effects of reaction temperature, pressure and time on the surface coverage of the supercritical fluid generated silica hydride intermediate were studied. Under optimised supercritical conditions of 120°C, 483 bar and 3 h reaction time, silica hydride (Si-H) conversion efficiencies of ca. 40% were achieved for the hydride intermediate prepared from a monofunctional silane reagent (dimethylmethoxysilane). Si-H conversion efficiencies (as determined from (29)Si CP-MAS NMR spectral analysis) for the hydride intermediate prepared from triethoxysilane (TES) in sc-CO(2) were found to be comparable to those obtained using a TES silanisation approach in an organic solvent. (13)C and (29)Si CP-MAS-NMR spectroscopy was employed to provide a complete structural assignment of the silica hydride intermediates. Furthermore, supercritical CO(2) was subsequently employed as a reaction medium for the heterogenous hydrosilation of silica hydride with octadecene and with styrene, in the presence of a free radical initiator. These supercritical fluid generated reversed-phase materials were prepared in a substantially reduced reaction time (3 h) compared to organic solvent based methods (100 h reaction time). Silica functionalisation in sc-CO(2) presents an efficient and clean alternative to organic solvent based methods for the preparation of important silica hydride intermediate and silica bonded stationary phases via a hydrosilation approach.

  1. Tandem olefin metathesis/hydrogenation at ambient temperature: activation of ruthenium carbene complexes by addition of hydrides.

    PubMed

    Schmidt, Bernd; Pohler, Michael

    2003-07-21

    Sodium hydride activates ruthenium carbene complexes to catalyze hydrogenation reactions subsequent to ring closing olefin metathesis. Under these conditions, hydrogenation of cyclopentenols proceeds smoothly at ambient temperature and under 1 atm of hydrogen in toluene. An alternative protocol was developed that involves the formation of hydrogen in situ by reaction of excess sodium hydride with protic functional groups and water. PMID:12956069

  2. Optical hydrogen sensors based on metal-hydrides

    NASA Astrophysics Data System (ADS)

    Slaman, M.; Westerwaal, R.; Schreuders, H.; Dam, B.

    2012-06-01

    For many hydrogen related applications it is preferred to use optical hydrogen sensors above electrical systems. Optical sensors reduce the risk of ignition by spark formation and are less sensitive to electrical interference. Currently palladium and palladium alloys are used for most hydrogen sensors since they are well known for their hydrogen dissociation and absorption properties at relatively low temperatures. The disadvantages of palladium in sensors are the low optical response upon hydrogen loading, the cross sensitivity for oxygen and carbon, the limited detection range and the formation of micro-cracks after some hydrogen absorption/desorption cycles. In contrast to Pd, we find that the use of magnesium or rear earth bases metal-hydrides in optical hydrogen sensors allow tuning of the detection levels over a broad pressure range, while maintaining a high optical response. We demonstrate a stable detection layer for detecting hydrogen below 10% of the lower explosion limit in an oxygen rich environment. This detection layer is deposited at the bare end of a glass fiber as a micro-mirror and is covered with a thin layer of palladium. The palladium layer promotes the hydrogen uptake at room temperature and acts as a hydrogen selective membrane. To protect the sensor for a long time in air a final layer of a hydrophobic fluorine based coating is applied. Such a sensor can be used for example as safety detector in automotive applications. We find that this type of fiber optic hydrogen sensor is also suitable for hydrogen detection in liquids. As example we demonstrate a sensor for detecting a broad range of concentrations in transformer oil. Such a sensor can signal a warning when sparks inside a high voltage power transformer decompose the transformer oil over a long period.

  3. Metal hydride heat pump engineering demonstration and evaluation model

    NASA Technical Reports Server (NTRS)

    Lynch, Franklin E.

    1993-01-01

    Future generations of portable life support systems (PLSS's) for space suites (extravehicular mobility units or EMU's) may require regenerable nonventing thermal sinks (RNTS's). For purposes of mobility, a PLSS must be as light and compact as possible. Previous venting PLSS's have employed water sublimators to reject metabolic and equipment heat from EMU's. It is desirable for long-duration future space missions to minimize the use of water and other consumables that need to be periodically resupplied. The emission of water vapor also interferes with some types of instrumentation that might be used in future space exploration. The test article is a type of RNTS based on a metal hydride heat pump (MHHP). The task of reservicing EMU's after use must be made less demanding in terms of time, procedures, and equipment. The capability for quick turnaround post-EVA servicing (30 minutes) is a challenging requirement for many of the RNTS options. The MHHP is a very simple option that can be regenerated in the airlock within the 30 minute limit by the application of a heating source and a cooling sink. In addition, advanced PLSS's must provide a greater degree of automatic control, relieving astronauts of the need to manually adjust temperatures in their liquid cooled ventilation garments (LCVG's). The MHHP includes automatic coolant controls with the ability to follow thermal load swings from minimum to maximum in seconds. The MHHP includes a coolant loop subsystem with pump and controls, regeneration equipment for post-EVA servicing, and a PC-based data acquisition and control system (DACS).

  4. Automated Student Model Improvement

    ERIC Educational Resources Information Center

    Koedinger, Kenneth R.; McLaughlin, Elizabeth A.; Stamper, John C.

    2012-01-01

    Student modeling plays a critical role in developing and improving instruction and instructional technologies. We present a technique for automated improvement of student models that leverages the DataShop repository, crowd sourcing, and a version of the Learning Factors Analysis algorithm. We demonstrate this method on eleven educational…

  5. Library Automation: An Overview.

    ERIC Educational Resources Information Center

    Saffady, William

    1989-01-01

    Surveys the current state of computer applications in six areas of library work: circulation control; descriptive cataloging; catalog maintenance and production; reference services; acquisitions; and serials control. Motives for automation are discussed, and examples of representative vendors, products, and services are given. (15 references) (LRW)

  6. Automation in haemostasis.

    PubMed

    Huber, A R; Méndez, A; Brunner-Agten, S

    2013-01-01

    Automatia, an ancient Greece goddess of luck who makes things happen by themselves and on her own will without human engagement, is present in our daily life in the medical laboratory. Automation has been introduced and perfected by clinical chemistry and since then expanded into other fields such as haematology, immunology, molecular biology and also coagulation testing. The initial small and relatively simple standalone instruments have been replaced by more complex systems that allow for multitasking. Integration of automated coagulation testing into total laboratory automation has become possible in the most recent years. Automation has many strengths and opportunities if weaknesses and threats are respected. On the positive side, standardization, reduction of errors, reduction of cost and increase of throughput are clearly beneficial. Dependence on manufacturers, high initiation cost and somewhat expensive maintenance are less favourable factors. The modern lab and especially the todays lab technicians and academic personnel in the laboratory do not add value for the doctor and his patients by spending lots of time behind the machines. In the future the lab needs to contribute at the bedside suggesting laboratory testing and providing support and interpretation of the obtained results. The human factor will continue to play an important role in testing in haemostasis yet under different circumstances.

  7. Building Automation Systems.

    ERIC Educational Resources Information Center

    Honeywell, Inc., Minneapolis, Minn.

    A number of different automation systems for use in monitoring and controlling building equipment are described in this brochure. The system functions include--(1) collection of information, (2) processing and display of data at a central panel, and (3) taking corrective action by sounding alarms, making adjustments, or automatically starting and…

  8. Automated CCTV Tester

    2000-09-13

    The purpose of an automated CCTV tester is to automatically and continuously monitor multiple perimeter security cameras for changes in a camera's measured resolution and alignment (camera looking at the proper area). It shall track and record the image quality and position of each camera and produce an alarm when a camera is out of specification.

  9. Blastocyst microinjection automation.

    PubMed

    Mattos, Leonardo S; Grant, Edward; Thresher, Randy; Kluckman, Kimberly

    2009-09-01

    Blastocyst microinjections are routinely involved in the process of creating genetically modified mice for biomedical research, but their efficiency is highly dependent on the skills of the operators. As a consequence, much time and resources are required for training microinjection personnel. This situation has been aggravated by the rapid growth of genetic research, which has increased the demand for mutant animals. Therefore, increased productivity and efficiency in this area are highly desired. Here, we pursue these goals through the automation of a previously developed teleoperated blastocyst microinjection system. This included the design of a new system setup to facilitate automation, the definition of rules for automatic microinjections, the implementation of video processing algorithms to extract feedback information from microscope images, and the creation of control algorithms for process automation. Experimentation conducted with this new system and operator assistance during the cells delivery phase demonstrated a 75% microinjection success rate. In addition, implantation of the successfully injected blastocysts resulted in a 53% birth rate and a 20% yield of chimeras. These results proved that the developed system was capable of automatic blastocyst penetration and retraction, demonstrating the success of major steps toward full process automation.

  10. Library Automation in Australia.

    ERIC Educational Resources Information Center

    Blank, Karen L.

    1984-01-01

    Discussion of Australia's move toward library automation highlights development of a national bibliographic network, local and regional cooperation, integrated library systems, telecommunications, and online systems, as well as microcomputer usage, ergonomics, copyright issues, and national information policy. Information technology plans of the…

  11. Automated Management Of Documents

    NASA Technical Reports Server (NTRS)

    Boy, Guy

    1995-01-01

    Report presents main technical issues involved in computer-integrated documentation. Problems associated with automation of management and maintenance of documents analyzed from perspectives of artificial intelligence and human factors. Technologies that may prove useful in computer-integrated documentation reviewed: these include conventional approaches to indexing and retrieval of information, use of hypertext, and knowledge-based artificial-intelligence systems.

  12. Mining Your Automated System.

    ERIC Educational Resources Information Center

    Larsen, Patricia M., Ed.; And Others

    1996-01-01

    Four articles address issues of collecting, compiling, reporting, and interpreting statistics generated by automated library systems for administrative decision making. Topics include using a management information system to forecast growth and assess areas for downsizing; statistics for collection development and analysis; and online system…

  13. Automated conflict resolution issues

    NASA Technical Reports Server (NTRS)

    Wike, Jeffrey S.

    1991-01-01

    A discussion is presented of how conflicts for Space Network resources should be resolved in the ATDRSS era. The following topics are presented: a description of how resource conflicts are currently resolved; a description of issues associated with automated conflict resolution; present conflict resolution strategies; and topics for further discussion.

  14. Automating Food Service.

    ERIC Educational Resources Information Center

    Kavulla, Timothy A.

    1986-01-01

    The Wichita, Kansas, Public Schools' Food Service Department Project Reduction in Paperwork (RIP) is designed to automate certain paperwork functions, thus reducing cost and flow of paper. This article addresses how RIP manages free/reduced meal applications and meets the objectives of reducing paper and increasing accuracy, timeliness, and…

  15. Automated Estimating System (AES)

    SciTech Connect

    Holder, D.A.

    1989-09-01

    This document describes Version 3.1 of the Automated Estimating System, a personal computer-based software package designed to aid in the creation, updating, and reporting of project cost estimates for the Estimating and Scheduling Department of the Martin Marietta Energy Systems Engineering Division. Version 3.1 of the Automated Estimating System is capable of running in a multiuser environment across a token ring network. The token ring network makes possible services and applications that will more fully integrate all aspects of information processing, provides a central area for large data bases to reside, and allows access to the data base by multiple users. Version 3.1 of the Automated Estimating System also has been enhanced to include an Assembly pricing data base that may be used to retrieve cost data into an estimate. A WBS Title File program has also been included in Version 3.1. The WBS Title File program allows for the creation of a WBS title file that has been integrated with the Automated Estimating System to provide WBS titles in update mode and in reports. This provides for consistency in WBS titles and provides the capability to display WBS titles on reports generated at a higher WBS level.

  16. Automated Administrative Data Bases

    NASA Technical Reports Server (NTRS)

    Marrie, M. D.; Jarrett, J. R.; Reising, S. A.; Hodge, J. E.

    1984-01-01

    Improved productivity and more effective response to information requirements for internal management, NASA Centers, and Headquarters resulted from using automated techniques. Modules developed to provide information on manpower, RTOPS, full time equivalency, and physical space reduced duplication, increased communication, and saved time. There is potential for greater savings by sharing and integrating with those who have the same requirements.

  17. Automating Small Libraries.

    ERIC Educational Resources Information Center

    Swan, James

    1996-01-01

    Presents a four-phase plan for small libraries strategizing for automation: inventory and weeding, data conversion, implementation, and enhancements. Other topics include selecting a system, MARC records, compatibility, ease of use, industry standards, searching capabilities, support services, system security, screen displays, circulation modules,…

  18. CLAN Automation Plan.

    ERIC Educational Resources Information Center

    Nevada State Library and Archives, Carson City.

    The Central Libraries Automated Network (CLAN) of Nevada is a cooperative system which shares circulation, cataloging, and acquisitions systems and numerous online databases. Its mission is to provide public access to information and efficient library administration through shared computer systems, databases, and telecommunications. This document…

  19. Automated EEG acquisition

    NASA Technical Reports Server (NTRS)

    Frost, J. D., Jr.; Hillman, C. E., Jr.

    1977-01-01

    Automated self-contained portable device can be used by technicians with minimal training. Data acquired from patient at remote site are transmitted to centralized interpretation center using conventional telephone equipment. There, diagnostic information is analyzed, and results are relayed back to remote site.

  20. Automated Essay Scoring

    ERIC Educational Resources Information Center

    Dikli, Semire

    2006-01-01

    The impacts of computers on writing have been widely studied for three decades. Even basic computers functions, i.e. word processing, have been of great assistance to writers in modifying their essays. The research on Automated Essay Scoring (AES) has revealed that computers have the capacity to function as a more effective cognitive tool (Attali,…

  1. Pulsed laser deposition of air-sensitive hydride epitaxial thin films: LiH

    SciTech Connect

    Oguchi, Hiroyuki; Isobe, Shigehito; Kuwano, Hiroki; Shiraki, Susumu; Hitosugi, Taro; Orimo, Shin-ichi

    2015-09-01

    We report on the epitaxial thin film growth of an air-sensitive hydride, lithium hydride (LiH), using pulsed laser deposition (PLD). We first synthesized a dense LiH target, which is key for PLD growth of high-quality hydride films. Then, we obtained epitaxial thin films of [100]-oriented LiH on a MgO(100) substrate at 250 °C under a hydrogen pressure of 1.3 × 10{sup −2} Pa. Atomic force microscopy revealed that the film demonstrates a Stranski-Krastanov growth mode and that the film with a thickness of ∼10 nm has a good surface flatness, with root-mean-square roughness R{sub RMS} of ∼0.4 nm.

  2. Hydride formation thermodynamics and hysteresis in individual Pd nanocrystals with different size and shape

    NASA Astrophysics Data System (ADS)

    Syrenova, Svetlana; Wadell, Carl; Nugroho, Ferry A. A.; Gschneidtner, Tina A.; Diaz Fernandez, Yuri A.; Nalin, Giammarco; Świtlik, Dominika; Westerlund, Fredrik; Antosiewicz, Tomasz J.; Zhdanov, Vladimir P.; Moth-Poulsen, Kasper; Langhammer, Christoph

    2015-12-01

    Physicochemical properties of nanoparticles may depend on their size and shape and are traditionally assessed in ensemble-level experiments, which accordingly may be plagued by averaging effects. These effects can be eliminated in single-nanoparticle experiments. Using plasmonic nanospectroscopy, we present a comprehensive study of hydride formation thermodynamics in individual Pd nanocrystals of different size and shape, and find corresponding enthalpies and entropies to be nearly size- and shape-independent. The hysteresis observed is significantly wider than in bulk, with details depending on the specifics of individual nanoparticles. Generally, the absorption branch of the hysteresis loop is size-dependent in the sub-30 nm regime, whereas desorption is size- and shape-independent. The former is consistent with a coherent phase transition during hydride formation, influenced kinetically by the specifics of nucleation, whereas the latter implies that hydride decomposition either occurs incoherently or via different kinetic pathways.

  3. Raman Spectroscopy as a Probe of Surface Oxides and Hydrides on Niobium

    SciTech Connect

    J. Zasadzinski, B. Albee, S. Bishnoi, C. Cao, G. Ciovati, L.D. Cooley, D.C. Ford, Th. Proslier

    2011-07-01

    Raman microscopy/spectroscopy has been used in conjunction with AFM, tunneling and magnetic susceptibility to identify surface oxides and hydrides on annealed, recrystallized foils of high purity Nb and on single crystals of cavity grade Nb. Cold worked regions of the Nb foil as well as rough regions near grain boundaries showed clear evidence of ordered hydride phases which were identified by VASP phonon calculations. Cold worked regions also displayed enhanced surface paramagnetism. Surface enhanced Raman spectra have also been obtained using 1.0 nm Au depositon. The SERS spectra reveal hydride molecular species which are not observable by conventional Raman. These results indicate that Raman is a useful probe of Nb surfaces relevant for cavity performance

  4. (abstract) Studies on AB(sub 5) Metal Hydride Alloys with Sn Additives

    NASA Technical Reports Server (NTRS)

    Ratnakumar, B. V.; Surampudi, S.; Stefano, S. Di; Halpert, G.; Witham, C.; Fultz, B.

    1994-01-01

    The use of metal hydrides as negative electrodes in alkaline rechargeable cells is becoming increasingly popular, due to several advantages offered by the metal hydrides over conventional anode materials (such as Zn, Cd) in terms of specific energy environmental cycle life and compatibility. Besides, the similarities in the cell voltage pressure characteristics, and charge control methods of the Ni-MH cells to the commonly used Ni-Cd point to a projected take over of 25% of the Ni-Cd market for consumer electronics by the Ni-MH cells in the next couple of years. Two classes of metal hydrides alloys based on rare earth metals (AB(sub 5)) and titanium (AB(sub 2)) are being currently developed at various laboratories. AB(sub 2) alloys exhibit higher specific energy than the AB(sub 5) alloys but the state of the art commercial Ni-MH cells are predominately manufactured using AB(sub 5) alloys.

  5. Impedance and self-discharge mechanism studies of nickel metal hydride batteries for energy storage applications

    NASA Astrophysics Data System (ADS)

    Zhu, Wenhua; Zhu, Ying; Tatarchuk, Bruce

    2013-04-01

    Nickel metal hydride battery packs have been found wide applications in the HEVs (hybrid electric vehicles) through the on-board rapid energy conservation and efficient storage to decrease the fossil fuel consumption rate and reduce CO2 emissions as well as other harmful exhaust gases. In comparison to the conventional Ni-Cd battery, the Ni-MH battery exhibits a relatively higher self-discharge rate. In general, there are quite a few factors that speed up the self-discharge of the electrodes in the sealed nickel metal hydride batteries. This disadvantage eventually reduces the overall efficiency of the energy conversion and storage system. In this work, ac impedance data were collected from the nickel metal hydride batteries. The self-discharge mechanism and battery capacity degradation were analyzed and discussed for further performance improvement.

  6. An Investigation on the Persistence of Uranium Hydride during Storage of Simulant Nuclear Waste Packages.

    PubMed

    Stitt, C A; Harker, N J; Hallam, K R; Paraskevoulakos, C; Banos, A; Rennie, S; Jowsey, J; Scott, T B

    2015-01-01

    Synchrotron X-rays have been used to study the oxidation of uranium and uranium hydride when encapsulated in grout and stored in de-ionised water for 10 months. Periodic synchrotron X-ray tomography and X-ray powder diffraction have allowed measurement and identification of the arising corrosion products and the rates of corrosion. The oxidation rates of the uranium metal and uranium hydride were slower than empirically derived rates previously reported for each reactant in an anoxic water system, but without encapsulation in grout. This was attributed to the grout acting as a physical barrier limiting the access of oxidising species to the uranium surface. Uranium hydride was observed to persist throughout the 10 month storage period and industrial consequences of this observed persistence are discussed.

  7. An Investigation on the Persistence of Uranium Hydride during Storage of Simulant Nuclear Waste Packages

    PubMed Central

    Harker, N. J.; Hallam, K. R.; Paraskevoulakos, C.; Banos, A.; Rennie, S.; Jowsey, J.

    2015-01-01

    Synchrotron X-rays have been used to study the oxidation of uranium and uranium hydride when encapsulated in grout and stored in de-ionised water for 10 months. Periodic synchrotron X-ray tomography and X-ray powder diffraction have allowed measurement and identification of the arising corrosion products and the rates of corrosion. The oxidation rates of the uranium metal and uranium hydride were slower than empirically derived rates previously reported for each reactant in an anoxic water system, but without encapsulation in grout. This was attributed to the grout acting as a physical barrier limiting the access of oxidising species to the uranium surface. Uranium hydride was observed to persist throughout the 10 month storage period and industrial consequences of this observed persistence are discussed. PMID:26176551

  8. Anomalies in vibrational spectra of hydrides of the VA group elements in the condensed state

    NASA Astrophysics Data System (ADS)

    Nabiev, Shavkat S.; Sennikov, Petr G.

    2000-12-01

    The results of a study of vibrational spectra of volatile hydrides of the VA group elements of periods 2 - 4 in the liquid state and in solutions of liquefied noble gases have been generalized and analyzed over wide frequency and temperature ranges. A number of anomalies have been revealed in the spectra of these hydrides that manifest themselves through an unusual behavior of band intensities of basic, composite vibrations and overtones on a transition from the gas phase to the condensed state, and dependences of spectroscopic and dynamic parameters as well as a non- coincidence of the line maxima in isotropic and anisotropic Raman spectra ((delta) v equals vaniso-viso) on the temperature of liquid hydrides. Mechanisms of intermolecular interactions in these liquids are discussed with the use of the as-obtained data on the intensity, frequency and shape of vibrational band contours.

  9. Chemical trend of pressure-induced metallization in alkaline earth hydrides

    SciTech Connect

    Zhang, Sijia; Chen, Xiao-Jia; Zhang, Rui-Qin; Lin, Hai-Qing

    2010-09-02

    The pressure-induced metallization of alkaline earth hydrides was systematically investigated using ab initio methods. While BeH{sub 2} and MgH{sub 2} present different semimetallic phases, CaH{sub 2}, SrH{sub 2}, and BaH{sub 2} share the same metallic phase (P6/mmm). The metallization pressure shows an attractive decrease with each increment of metal radius, and this trend is well correlated with both the electronegativity of alkaline earth metals and the band gap of alkaline earth hydrides at ambient pressure. Our results are consistent with current experimental data, and the obtained trend has significant implications for designing and engineering metallic hydrides for energy applications.

  10. Tailoring Thermodynamics and Kinetics for Hydrogen Storage in Complex Hydrides towards Applications.

    PubMed

    Liu, Yongfeng; Yang, Yaxiong; Gao, Mingxia; Pan, Hongge

    2016-02-01

    Solid-state hydrogen storage using various materials is expected to provide the ultimate solution for safe and efficient on-board storage. Complex hydrides have attracted increasing attention over the past two decades due to their high gravimetric and volumetric hydrogen densities. In this account, we review studies from our lab on tailoring the thermodynamics and kinetics for hydrogen storage in complex hydrides, including metal alanates, borohydrides and amides. By changing the material composition and structure, developing feasible preparation methods, doping high-performance catalysts, optimizing multifunctional additives, creating nanostructures and understanding the interaction mechanisms with hydrogen, the operating temperatures for hydrogen storage in metal amides, alanates and borohydrides are remarkably reduced. This temperature reduction is associated with enhanced reaction kinetics and improved reversibility. The examples discussed in this review are expected to provide new inspiration for the development of complex hydrides with high hydrogen capacity and appropriate thermodynamics and kinetics for hydrogen storage.

  11. Titanium tritide radioisotope heat source development : palladium-coated titanium hydriding kinetics and tritium loading tests.

    SciTech Connect

    Van Blarigan, Peter; Shugard, Andrew D.; Walters, R. Tom

    2012-01-01

    We have found that a 180 nm palladium coating enables titanium to be loaded with hydrogen isotopes without the typical 400-500 C vacuum activation step. The hydriding kinetics of Pd coated Ti can be described by the Mintz-Bloch adherent film model, where the rate of hydrogen absorption is controlled by diffusion through an adherent metal-hydride layer. Hydriding rate constants of Pd coated and vacuum activated Ti were found to be very similar. In addition, deuterium/tritium loading experiments were done on stacks of Pd coated Ti foil in a representative-size radioisotope heat source vessel. The experiments demonstrated that such a vessel could be loaded completely, at temperatures below 300 C, in less than 10 hours, using existing department-of-energy tritium handling infrastructure.

  12. Hückel's Rule of Aromaticity Categorizes Aromatic closo Boron Hydride Clusters.

    PubMed

    Poater, Jordi; Solà, Miquel; Viñas, Clara; Teixidor, Francesc

    2016-05-23

    A direct connection is established between three-dimensional aromatic closo boron hydride clusters and planar aromatic [n]annulenes for medium and large boron clusters. In particular, the results prove the existence of a link between the two-dimensional Hückel rule, as followed by aromatic [n]annulenes, and Wade-Mingos' rule of three-dimensional aromaticity, as applied to the aromatic [Bn Hn ](2-) closo boron hydride clusters. The closo boron hydride clusters can be categorized into different series, according to the n value of the Hückel (4 n+2) π rule. The distinct categories studied in this work correspond to n=1, 2, and 3. Each category increases in geometrical difficulty but, more importantly, it is possible to associate each category with the number of pentagonal layers in the structure perpendicular to the main axis. Category 1 has one pentagonal layer, category 2 has two, and category 3 has three.

  13. High Density Hydrogen Storage System Demonstration Using NaAlH4 Based Complex Compound Hydrides

    SciTech Connect

    Daniel A. Mosher; Xia Tang; Ronald J. Brown; Sarah Arsenault; Salvatore Saitta; Bruce L. Laube; Robert H. Dold; Donald L. Anton

    2007-07-27

    This final report describes the motivations, activities and results of the hydrogen storage independent project "High Density Hydrogen Storage System Demonstration Using NaAlH4 Based Complex Compound Hydrides" performed by the United Technologies Research Center under the Department of Energy Hydrogen Program, contract # DE-FC36-02AL67610. The objectives of the project were to identify and address the key systems technologies associated with applying complex hydride materials, particularly ones which differ from those for conventional metal hydride based storage. This involved the design, fabrication and testing of two prototype systems based on the hydrogen storage material NaAlH4. Safety testing, catalysis studies, heat exchanger optimization, reaction kinetics modeling, thermochemical finite element analysis, powder densification development and material neutralization were elements included in the effort.

  14. Hydride formation thermodynamics and hysteresis in individual Pd nanocrystals with different size and shape.

    PubMed

    Syrenova, Svetlana; Wadell, Carl; Nugroho, Ferry A A; Gschneidtner, Tina A; Diaz Fernandez, Yuri A; Nalin, Giammarco; Świtlik, Dominika; Westerlund, Fredrik; Antosiewicz, Tomasz J; Zhdanov, Vladimir P; Moth-Poulsen, Kasper; Langhammer, Christoph

    2015-12-01

    Physicochemical properties of nanoparticles may depend on their size and shape and are traditionally assessed in ensemble-level experiments, which accordingly may be plagued by averaging effects. These effects can be eliminated in single-nanoparticle experiments. Using plasmonic nanospectroscopy, we present a comprehensive study of hydride formation thermodynamics in individual Pd nanocrystals of different size and shape, and find corresponding enthalpies and entropies to be nearly size- and shape-independent. The hysteresis observed is significantly wider than in bulk, with details depending on the specifics of individual nanoparticles. Generally, the absorption branch of the hysteresis loop is size-dependent in the sub-30 nm regime, whereas desorption is size- and shape-independent. The former is consistent with a coherent phase transition during hydride formation, influenced kinetically by the specifics of nucleation, whereas the latter implies that hydride decomposition either occurs incoherently or via different kinetic pathways.

  15. The Origin of the Catalytic Activity of a Metal Hydride in CO2 Reduction.

    PubMed

    Kato, Shunsuke; Matam, Santhosh Kumar; Kerger, Philipp; Bernard, Laetitia; Battaglia, Corsin; Vogel, Dirk; Rohwerder, Michael; Züttel, Andreas

    2016-05-10

    Atomic hydrogen on the surface of a metal with high hydrogen solubility is of particular interest for the hydrogenation of carbon dioxide. In a mixture of hydrogen and carbon dioxide, methane was markedly formed on the metal hydride ZrCoHx in the course of the hydrogen desorption and not on the pristine intermetallic. The surface analysis was performed by means of time-of-flight secondary ion mass spectroscopy and near-ambient pressure X-ray photoelectron spectroscopy, for the in situ analysis. The aim was to elucidate the origin of the catalytic activity of the metal hydride. Since at the initial stage the dissociation of impinging hydrogen molecules is hindered by a high activation barrier of the oxidised surface, the atomic hydrogen flux from the metal hydride is crucial for the reduction of carbon dioxide and surface oxides at interfacial sites. PMID:27061237

  16. Measured and calculated fast neutron spectra in a depleted uranium and lithium hydride shielded reactor

    NASA Technical Reports Server (NTRS)

    Lahti, G. P.; Mueller, R. A.

    1973-01-01

    Measurements of MeV neutron were made at the surface of a lithium hydride and depleted uranium shielded reactor. Four shield configurations were considered: these were assembled progressively with cylindrical shells of 5-centimeter-thick depleted uranium, 13-centimeter-thick lithium hydride, 5-centimeter-thick depleted uranium, 13-centimeter-thick lithium hydride, 5-centimeter-thick depleted uranium, and 3-centimeter-thick depleted uranium. Measurements were made with a NE-218 scintillation spectrometer; proton pulse height distributions were differentiated to obtain neutron spectra. Calculations were made using the two-dimensional discrete ordinates code DOT and ENDF/B (version 3) cross sections. Good agreement between measured and calculated spectral shape was observed. Absolute measured and calculated fluxes were within 50 percent of one another; observed discrepancies in absolute flux may be due to cross section errors.

  17. An Investigation on the Persistence of Uranium Hydride during Storage of Simulant Nuclear Waste Packages.

    PubMed

    Stitt, C A; Harker, N J; Hallam, K R; Paraskevoulakos, C; Banos, A; Rennie, S; Jowsey, J; Scott, T B

    2015-01-01

    Synchrotron X-rays have been used to study the oxidation of uranium and uranium hydride when encapsulated in grout and stored in de-ionised water for 10 months. Periodic synchrotron X-ray tomography and X-ray powder diffraction have allowed measurement and identification of the arising corrosion products and the rates of corrosion. The oxidation rates of the uranium metal and uranium hydride were slower than empirically derived rates previously reported for each reactant in an anoxic water system, but without encapsulation in grout. This was attributed to the grout acting as a physical barrier limiting the access of oxidising species to the uranium surface. Uranium hydride was observed to persist throughout the 10 month storage period and industrial consequences of this observed persistence are discussed. PMID:26176551

  18. Formation and physical properties of uranium hydride under conditions relevant to metallic fuel and nuclear waste storage

    NASA Astrophysics Data System (ADS)

    Orr, Robin; Godfrey, Hugh; Broan, Chris; Goddard, Dave; Woodhouse, Guy; Durham, Peter; Diggle, Andrew; Bradshaw, John

    2016-08-01

    The formation of uranium hydride is recognised as a hazard during the storage of uranium metal owing to its potentially pyrophoric properties. This study has assessed the influence of water vapour on the potential for uranium hydride to form at low temperatures and shows that it increases the duration of the induction period but does not necessarily prevent uranium hydride formation and also does not significantly change the reaction rate with hydrogen. It is further shown that the α-UH3 fraction in the uranium hydride gradually increases at decreasing temperatures and is likely to be the dominant phase formed under typical storage conditions. Particle morphology and specific surface area of uranium hydride prepared between 30 °C and 200 °C have also been characterised but show only modest variation compared with the phase composition.

  19. Hydride-Phase Formation and its Influence on Fatigue Crack Propagation Behavior in a Zircaloy-4 Alloy

    NASA Astrophysics Data System (ADS)

    Garlea, Elena; Choo, Hahn; Wang, Gongyao Y.; Liaw, Peter K.; Clausen, Bjørn; Brown, Donald W.; Park, Jungwon; Rack, Philip D.; Kenik, Edward A.

    2010-11-01

    The hydride-phase formation and its influence on the fatigue behavior of a Zircaloy-4 alloy charged with hydrogen gas are investigated. First, the microstructure and fatigue crack propagation rate of the alloy in the as-received condition are studied. Second, the formation and homogeneous distribution of the delta zirconium hydride in the bulk and its effect on the fatigue crack propagation rate are presented. The results show that in the presence of hydrides, the zirconium alloy exhibits reduced toughness and enhanced crack growth rates. Finally, the influence of a preexisting fatigue crack in the specimen and the subsequent hydride formation are examined. The residual lattice strain profile around the fatigue crack tip is measured using neutron diffraction. It is observed that the combined effects of residual strains and hydride precipitation on the fatigue behavior are more severe leading to propagation of the crack under near threshold loading.

  20. Method of production of pure hydrogen near room temperature from aluminum-based hydride materials

    DOEpatents

    Pecharsky, Vitalij K.; Balema, Viktor P.

    2004-08-10

    The present invention provides a cost-effective method of producing pure hydrogen gas from hydride-based solid materials. The hydride-based solid material is mechanically processed in the presence of a catalyst to obtain pure gaseous hydrogen. Unlike previous methods, hydrogen may be obtained from the solid material without heating, and without the addition of a solvent during processing. The described method of hydrogen production is useful for energy conversion and production technologies that consume pure gaseous hydrogen as a fuel.

  1. Elemental step thermodynamics of various analogues of indazolium alkaloids to obtaining hydride in acetonitrile.

    PubMed

    Lei, Nan-Ping; Fu, Yan-Hua; Zhu, Xiao-Qing

    2015-12-21

    A series of analogues of indazolium alkaloids were designed and synthesized. The thermodynamic driving forces of the 6 elemental steps for the analogues of indazolium alkaloids to obtain hydride in acetonitrile were determined using an isothermal titration calorimeter (ITC) and electrochemical methods, respectively. The effects of molecular structure and substituents on the thermodynamic driving forces of the 6 steps were examined. Meanwhile, the oxidation mechanism of NADH coenzyme by indazolium alkaloids was examined using the chemical mimic method. The result shows that the oxidation of NADH coenzyme by indazolium alkaloids in vivo takes place by one-step concerted hydride transfer mechanism.

  2. White Paper Summary of 2nd ASTM International Workshop on Hydrides in Zirconium Alloy Cladding

    SciTech Connect

    Sindelar, R.; Louthan, M.; PNNL, B.

    2015-05-29

    This white paper recommends that ASTM International develop standards to address the potential impact of hydrides on the long term performance of irradiated zirconium alloys. The need for such standards was apparent during the 2nd ASTM International Workshop on Hydrides in Zirconium Alloy Cladding and Assembly Components, sponsored by ASTM International Committee C26.13 and held on June 10-12, 2014, in Jackson, Wyoming. The potentially adverse impacts of hydrogen and hydrides on the long term performance of irradiated zirconium-alloy cladding on used fuel were shown to depend on multiple factors such as alloy chemistry and processing, irradiation and post irradiation history, residual and applied stresses and stress states, and the service environment. These factors determine the hydrogen content and hydride morphology in the alloy, which, in turn, influence the response of the alloy to the thermo-mechanical conditions imposed (and anticipated) during storage, transport and disposal of used nuclear fuel. Workshop presentations and discussions showed that although hydrogen/hydride induced degradation of zirconium alloys may be of concern, the potential for occurrence and the extent of anticipated degradation vary throughout the nuclear industry because of the variations in hydrogen content, hydride morphology, alloy chemistry and irradiation conditions. The tools and techniques used to characterize hydrides and hydride morphologies and their impacts on material performance also vary. Such variations make site-to-site comparisons of test results and observations difficult. There is no consensus that a single material or system characteristic (e.g., reactor type, burnup, hydrogen content, end-of life stress, alloy type, drying temperature, etc.) is an effective predictor of material response during long term storage or of performance after long term storage. Multi-variable correlations made for one alloy may not represent the behavior of another alloy exposed to

  3. Method and composition in which metal hydride particles are embedded in a silica network

    DOEpatents

    Heung, Leung K.

    1999-01-01

    A silica embedded metal hydride composition and a method for making such a composition. The composition is made via the following process: A quantity of fumed silica is blended with water to make a paste. After adding metal hydride particles, the paste is dried to form a solid. According to one embodiment of the invention, the solid is ground into granules for use of the product in hydrogen storage. Alternatively, the paste can be molded into plates or cylinders and then dried for use of the product as a hydrogen filter. Where mechanical strength is required, the paste can be impregnated in a porous substrate or wire network.

  4. INVESTIGATION OF THE THERMODYNAMICS GOVERNING METAL HYDRIDE SYNTHESIS IN THE MOLTEN STATE PROCESS.

    SciTech Connect

    Stowe, A; Polly Berseth, P; Ragaiy Zidan, R; Donald Anton, D

    2007-08-23

    Complex metal hydrides have been synthesized for hydrogen storage through a new synthetic technique utilizing high hydrogen overpressure at elevated temperatures (molten state processing). This synthesis technique holds the potential of fusing different complex hydrides at elevated temperatures and pressures to form new species with enhanced hydrogen storage properties. Formation of these compounds is driven by thermodynamic and kinetic considerations. We report on investigations of the thermodynamics. Novel synthetic complexes were formed, structurally characterized, and their hydrogen desorption properties investigated. The effectiveness of the molten state process is compared with mechanicosynthetic ball milling.

  5. Carbon enhanced hydriding of oxidized U-0.1wt%Cr surfaces

    NASA Astrophysics Data System (ADS)

    Shamir, N.; Schweke, D.; Rubin, A.; Livneh, T.; Zalkind, S.

    2010-03-01

    The effect of deposited amorphous carbon on the reactivity of uranium towards hydridization has been investigated by means of optical (HSM), electron (SEM), Raman scattering and atomic force (AFM) microscopies. Clear preference was found towards hydrogen attack on the carbon covered area as mostly manifested by the formation of hollow blister-like hydrides with average height of ~1μm, and crust of few hundreds of nm. NOTE: As a result of an inadvertent AN2009 editorial error that led to publication of non-finalized version the PDF was replaced with the correct version on 16 September 2010. The original PDF can be found in the supplementary data.

  6. Ruthenium hydride-promoted dienyl isomerization: access to highly substituted 1,3-dienes.

    PubMed

    Clark, Joseph R; Griffiths, Justin R; Diver, Steven T

    2013-03-01

    Ruthenium hydrides were found to promote the positional isomerization of 1,3-dienes into more highly substituted 1,3-dienes in a stereoconvergent manner. The reaction can be conducted in one pot starting with terminal alkynes and alkenes by triggering decomposition of the Grubbs catalyst into a ruthenium hydride, which promotes the dienyl isomerization. The presence of an alcohol additive plays a helpful role in the reaction, significantly increasing the chemical yields. Mechanistic studies are consistent with hydrometalation of the geminally substituted alkene of the 1,3-diene and transit of the ruthenium atom across the diene framework via a π-allylruthenium intermediate. PMID:23427813

  7. DEVELOPMENT OF A FABRICATION PROCESS FOR SOL-GEL/METAL HYDRIDE COMPOSITE GRANULES

    SciTech Connect

    Hansen, E; Eric Frickey, E; Leung Heung, L

    2004-02-23

    An external gelation process was developed to produce spherical granules that contain metal hydride particles in a sol-gel matrix. Dimensionally stable granules containing metal hydrides are needed for applications such as hydrogen separation and hydrogen purification that require columns containing metal hydrides. Gases must readily flow through the metal hydride beds in the columns. Metal hydrides reversibly absorb and desorb hydrogen and hydrogen isotopes. This is accompanied by significant volume changes that cause the metal hydride to break apart or decrepitate. Repeated cycling results in very fine metal hydride particles that are difficult to handle and contain. Fine particles tend to settle and pack making it more difficult to flow gases through a metal hydride bed. Furthermore, the metal hydrides can exert a significant force on the containment vessel as they expand. These problems associated with metal hydrides can be eliminated with the granulation process described in this report. Small agglomerates of metal hydride particles and abietic acid (a pore former) were produced and dispersed in a colloidal silica/water suspension to form the feed slurry. Fumed silica was added to increase the viscosity of the feed slurry which helped to keep the agglomerates in suspension. Drops of the feed slurry were injected into a 27-foot tall column of hot ({approx}70 C), medium viscosity ({approx}3000 centistokes) silicone oil. Water was slowly evaporated from the drops as they settled. The drops gelled and eventually solidified to form spherical granules. This process is referred to as external gelation. Testing was completed to optimize the design of the column, the feed system, the feed slurry composition, and the operating parameters of the column. The critical process parameters can be controlled resulting in a reproducible fabrication technique. The residual silicone oil on the surface of the granules was removed by washing in mineral spirits. The granules were

  8. Effects of hydriding and ageing of Pd nanoparticles to contact between nanoparticles and quartz and contacts among nanoparticles investigated by the pump-probe technique

    NASA Astrophysics Data System (ADS)

    Fan, Guanghua; Jiao, Weiyan; Yang, Linpo; Wu, Xingzhi; Chen, Minrui; Gao, Renxi; Li, Yan; Xie, Bo; Liu, Jiaqi; Han, Min; Song, Yinglin; Qu, Shiliang

    2016-09-01

    Closely contacted Pd nanoparticles with average size of 8 nm are uniformly deposited on quartz. The ageing, hydriding, hydriding and then ageing of the nanoparticles are characterized by the transmission electron microscopy, optical extinction spectrum, and X-ray photoelectron spectroscopy, which show little chemical and crystallographic change. The contact between the nanoparticles and quartz and contacts among the nanoparticles are investigated by the pump-probe technique. The contact between nanoparticles and quartz looses with the ageing, hydriding, hydriding and then ageing of the nanoparticles, and the contacts among nanoparticles loose with the ageing whereas compresses with the hydriding.

  9. Automated gas chromatography

    DOEpatents

    Mowry, C.D.; Blair, D.S.; Rodacy, P.J.; Reber, S.D.

    1999-07-13

    An apparatus and process for the continuous, near real-time monitoring of low-level concentrations of organic compounds in a liquid, and, more particularly, a water stream. A small liquid volume of flow from a liquid process stream containing organic compounds is diverted by an automated process to a heated vaporization capillary where the liquid volume is vaporized to a gas that flows to an automated gas chromatograph separation column to chromatographically separate the organic compounds. Organic compounds are detected and the information transmitted to a control system for use in process control. Concentrations of organic compounds less than one part per million are detected in less than one minute. 7 figs.

  10. Automated theorem proving.

    PubMed

    Plaisted, David A

    2014-03-01

    Automated theorem proving is the use of computers to prove or disprove mathematical or logical statements. Such statements can express properties of hardware or software systems, or facts about the world that are relevant for applications such as natural language processing and planning. A brief introduction to propositional and first-order logic is given, along with some of the main methods of automated theorem proving in these logics. These methods of theorem proving include resolution, Davis and Putnam-style approaches, and others. Methods for handling the equality axioms are also presented. Methods of theorem proving in propositional logic are presented first, and then methods for first-order logic. WIREs Cogn Sci 2014, 5:115-128. doi: 10.1002/wcs.1269 CONFLICT OF INTEREST: The authors has declared no conflicts of interest for this article. For further resources related to this article, please visit the WIREs website. PMID:26304304

  11. Automated macromolecular crystallization screening

    DOEpatents

    Segelke, Brent W.; Rupp, Bernhard; Krupka, Heike I.

    2005-03-01

    An automated macromolecular crystallization screening system wherein a multiplicity of reagent mixes are produced. A multiplicity of analysis plates is produced utilizing the reagent mixes combined with a sample. The analysis plates are incubated to promote growth of crystals. Images of the crystals are made. The images are analyzed with regard to suitability of the crystals for analysis by x-ray crystallography. A design of reagent mixes is produced based upon the expected suitability of the crystals for analysis by x-ray crystallography. A second multiplicity of mixes of the reagent components is produced utilizing the design and a second multiplicity of reagent mixes is used for a second round of automated macromolecular crystallization screening. In one embodiment the multiplicity of reagent mixes are produced by a random selection of reagent components.

  12. Automated breeder fuel fabrication

    SciTech Connect

    Goldmann, L.H.; Frederickson, J.R.

    1983-09-01

    The objective of the Secure Automated Fabrication (SAF) Project is to develop remotely operated equipment for the processing and manufacturing of breeder reactor fuel pins. The SAF line will be installed in the Fuels and Materials Examination Facility (FMEF). The FMEF is presently under construction at the Department of Energy's (DOE) Hanford site near Richland, Washington, and is operated by the Westinghouse Hanford Company (WHC). The fabrication and support systems of the SAF line are designed for computer-controlled operation from a centralized control room. Remote and automated fuel fabriction operations will result in: reduced radiation exposure to workers; enhanced safeguards; improved product quality; near real-time accountability, and increased productivity. The present schedule calls for installation of SAF line equipment in the FMEF beginning in 1984, with qualifying runs starting in 1986 and production commencing in 1987. 5 figures.

  13. The automation of science.

    PubMed

    King, Ross D; Rowland, Jem; Oliver, Stephen G; Young, Michael; Aubrey, Wayne; Byrne, Emma; Liakata, Maria; Markham, Magdalena; Pir, Pinar; Soldatova, Larisa N; Sparkes, Andrew; Whelan, Kenneth E; Clare, Amanda

    2009-04-01

    The basis of science is the hypothetico-deductive method and the recording of experiments in sufficient detail to enable reproducibility. We report the development of Robot Scientist "Adam," which advances the automation of both. Adam has autonomously generated functional genomics hypotheses about the yeast Saccharomyces cerevisiae and experimentally tested these hypotheses by using laboratory automation. We have confirmed Adam's conclusions through manual experiments. To describe Adam's research, we have developed an ontology and logical language. The resulting formalization involves over 10,000 different research units in a nested treelike structure, 10 levels deep, that relates the 6.6 million biomass measurements to their logical description. This formalization describes how a machine contributed to scientific knowledge. PMID:19342587

  14. Compact reactor design automation

    NASA Technical Reports Server (NTRS)

    Nassersharif, Bahram; Gaeta, Michael J.

    1991-01-01

    A conceptual compact reactor design automation experiment was performed using the real-time expert system G2. The purpose of this experiment was to investigate the utility of an expert system in design; in particular, reactor design. The experiment consisted of the automation and integration of two design phases: reactor neutronic design and fuel pin design. The utility of this approach is shown using simple examples of formulating rules to ensure design parameter consistency between the two design phases. The ability of G2 to communicate with external programs even across networks provides the system with the capability of supplementing the knowledge processing features with conventional canned programs with possible applications for realistic iterative design tools.

  15. Automated campaign system

    NASA Astrophysics Data System (ADS)

    Vondran, Gary; Chao, Hui; Lin, Xiaofan; Beyer, Dirk; Joshi, Parag; Atkins, Brian; Obrador, Pere

    2006-02-01

    To run a targeted campaign involves coordination and management across numerous organizations and complex process flows. Everything from market analytics on customer databases, acquiring content and images, composing the materials, meeting the sponsoring enterprise brand standards, driving through production and fulfillment, and evaluating results; all processes are currently performed by experienced highly trained staff. Presented is a developed solution that not only brings together technologies that automate each process, but also automates the entire flow so that a novice user could easily run a successful campaign from their desktop. This paper presents the technologies, structure, and process flows used to bring this system together. Highlighted will be how the complexity of running a targeted campaign is hidden from the user through technologies, all while providing the benefits of a professionally managed campaign.

  16. Automated assembly in space

    NASA Technical Reports Server (NTRS)

    Srivastava, Sandanand; Dwivedi, Suren N.; Soon, Toh Teck; Bandi, Reddy; Banerjee, Soumen; Hughes, Cecilia

    1989-01-01

    The installation of robots and their use of assembly in space will create an exciting and promising future for the U.S. Space Program. The concept of assembly in space is very complicated and error prone and it is not possible unless the various parts and modules are suitably designed for automation. Certain guidelines are developed for part designing and for an easy precision assembly. Major design problems associated with automated assembly are considered and solutions to resolve these problems are evaluated in the guidelines format. Methods for gripping and methods for part feeding are developed with regard to the absence of gravity in space. The guidelines for part orientation, adjustments, compliances and various assembly construction are discussed. Design modifications of various fasteners and fastening methods are also investigated.

  17. Automated Testing System

    2006-05-09

    ATS is a Python-language program for automating test suites for software programs that do not interact with thier users, such as scripted scientific simulations. ATS features a decentralized approach especially suited to larger projects. In its multinode mode it can utilize many nodes of a cluster in order to do many test in parallel. It has features for submitting longer-running tests to a batch system and would have to be customized for use elsewhere.

  18. Power subsystem automation study

    NASA Technical Reports Server (NTRS)

    Tietz, J. C.; Sewy, D.; Pickering, C.; Sauers, R.

    1984-01-01

    The purpose of the phase 2 of the power subsystem automation study was to demonstrate the feasibility of using computer software to manage an aspect of the electrical power subsystem on a space station. The state of the art in expert systems software was investigated in this study. This effort resulted in the demonstration of prototype expert system software for managing one aspect of a simulated space station power subsystem.

  19. Cavendish Balance Automation

    NASA Technical Reports Server (NTRS)

    Thompson, Bryan

    2000-01-01

    This is the final report for a project carried out to modify a manual commercial Cavendish Balance for automated use in cryostat. The scope of this project was to modify an off-the-shelf manually operated Cavendish Balance to allow for automated operation for periods of hours or days in cryostat. The purpose of this modification was to allow the balance to be used in the study of effects of superconducting materials on the local gravitational field strength to determine if the strength of gravitational fields can be reduced. A Cavendish Balance was chosen because it is a fairly simple piece of equipment for measuring gravity, one the least accurately known and least understood physical constants. The principle activities that occurred under this purchase order were: (1) All the components necessary to hold and automate the Cavendish Balance in a cryostat were designed. Engineering drawings were made of custom parts to be fabricated, other off-the-shelf parts were procured; (2) Software was written in LabView to control the automation process via a stepper motor controller and stepper motor, and to collect data from the balance during testing; (3)Software was written to take the data collected from the Cavendish Balance and reduce it to give a value for the gravitational constant; (4) The components of the system were assembled and fitted to a cryostat. Also the LabView hardware including the control computer, stepper motor driver, data collection boards, and necessary cabling were assembled; and (5) The system was operated for a number of periods, data collected, and reduced to give an average value for the gravitational constant.

  20. Automated Microbial Metabolism Laboratory

    NASA Technical Reports Server (NTRS)

    1973-01-01

    Development of the automated microbial metabolism laboratory (AMML) concept is reported. The focus of effort of AMML was on the advanced labeled release experiment. Labeled substrates, inhibitors, and temperatures were investigated to establish a comparative biochemical profile. Profiles at three time intervals on soil and pure cultures of bacteria isolated from soil were prepared to establish a complete library. The development of a strategy for the return of a soil sample from Mars is also reported.

  1. Automated Cooperative Trajectories

    NASA Technical Reports Server (NTRS)

    Hanson, Curt; Pahle, Joseph; Brown, Nelson

    2015-01-01

    This presentation is an overview of the Automated Cooperative Trajectories project. An introduction to the phenomena of wake vortices is given, along with a summary of past research into the possibility of extracting energy from the wake by flying close parallel trajectories. Challenges and barriers to adoption of civilian automatic wake surfing technology are identified. A hardware-in-the-loop simulation is described that will support future research. Finally, a roadmap for future research and technology transition is proposed.

  2. Automation in biological crystallization.

    PubMed

    Stewart, Patrick Shaw; Mueller-Dieckmann, Jochen

    2014-06-01

    Crystallization remains the bottleneck in the crystallographic process leading from a gene to a three-dimensional model of the encoded protein or RNA. Automation of the individual steps of a crystallization experiment, from the preparation of crystallization cocktails for initial or optimization screens to the imaging of the experiments, has been the response to address this issue. Today, large high-throughput crystallization facilities, many of them open to the general user community, are capable of setting up thousands of crystallization trials per day. It is thus possible to test multiple constructs of each target for their ability to form crystals on a production-line basis. This has improved success rates and made crystallization much more convenient. High-throughput crystallization, however, cannot relieve users of the task of producing samples of high quality. Moreover, the time gained from eliminating manual preparations must now be invested in the careful evaluation of the increased number of experiments. The latter requires a sophisticated data and laboratory information-management system. A review of the current state of automation at the individual steps of crystallization with specific attention to the automation of optimization is given.

  3. Automation in biological crystallization

    PubMed Central

    Shaw Stewart, Patrick; Mueller-Dieckmann, Jochen

    2014-01-01

    Crystallization remains the bottleneck in the crystallographic process leading from a gene to a three-dimensional model of the encoded protein or RNA. Automation of the individual steps of a crystallization experiment, from the preparation of crystallization cocktails for initial or optimization screens to the imaging of the experiments, has been the response to address this issue. Today, large high-throughput crystallization facilities, many of them open to the general user community, are capable of setting up thousands of crystallization trials per day. It is thus possible to test multiple constructs of each target for their ability to form crystals on a production-line basis. This has improved success rates and made crystallization much more convenient. High-throughput crystallization, however, cannot relieve users of the task of producing samples of high quality. Moreover, the time gained from eliminating manual preparations must now be invested in the careful evaluation of the increased number of experiments. The latter requires a sophisticated data and laboratory information-management system. A review of the current state of automation at the individual steps of crystallization with specific attention to the automation of optimization is given. PMID:24915074

  4. Vanadium diaphragm electrode serves as hydrogen diffuser in lithium hydride cell

    NASA Technical Reports Server (NTRS)

    Crouthamel, C. E.; Heinrich, R. R.; Johnson, C. E.

    1967-01-01

    Lithium hydride cell uses vanadium diaphragm electrode as a hydrogen diffuser. Vanadium is high in hydrogen gas solubility and permeability, is least sensitive to adverse surface effects, maintains good mechanical strength in hydrogen atmospheres, and appears to be compatible with all alkali-halide electrolytes and lithium metals.

  5. Neutron diffraction studies of a four-coordinated hydride in near square-planar geometry

    SciTech Connect

    Liao, Jian -Hong; Dhayal, Rajendra Singh; Wang, Xiaoping; Kahlal, Samia; Saillard, Jean -Yves; Liu, C. W.

    2014-10-07

    The structure of a nanospheric polyhydrido copper cluster, [Cu20(H)11{S2P(OiPr)2}9], was determined by single-crystal neutron diffraction. Cu20 cluster consists of an elongated triangular orthobicupola constructed from 18 Cu atoms that encapsulate a [Cu2H5}3- ion in the center with an exceptionally short Cu-Cu distance. The eleven hydrides in the cluster display three different coordination modes to the Cu atoms: Six μ3-hydrides in pyramidal geometry, two μ4-hydrides in tetrahedral cavity, and three μ4-hydrides in an unprecedented near square-planar geometry. The neutron data set was collected on a small crystal of the size 0.20 mm x 0.50 mm x 0.65 mm for seven days using the Spallation Neutron Source TOPAZ single-crystal time-of-flight Laue diffractometer at the Oak Ridge National Laboratory. Furthermore, the final R-factor is 8.64% for 16014 reflections.

  6. Neutron diffraction studies of a four-coordinated hydride in near square-planar geometry

    DOE PAGES

    Liao, Jian -Hong; Dhayal, Rajendra Singh; Wang, Xiaoping; Kahlal, Samia; Saillard, Jean -Yves; Liu, C. W.

    2014-10-07

    The structure of a nanospheric polyhydrido copper cluster, [Cu20(H)11{S2P(OiPr)2}9], was determined by single-crystal neutron diffraction. Cu20 cluster consists of an elongated triangular orthobicupola constructed from 18 Cu atoms that encapsulate a [Cu2H5}3- ion in the center with an exceptionally short Cu-Cu distance. The eleven hydrides in the cluster display three different coordination modes to the Cu atoms: Six μ3-hydrides in pyramidal geometry, two μ4-hydrides in tetrahedral cavity, and three μ4-hydrides in an unprecedented near square-planar geometry. The neutron data set was collected on a small crystal of the size 0.20 mm x 0.50 mm x 0.65 mm for seven daysmore » using the Spallation Neutron Source TOPAZ single-crystal time-of-flight Laue diffractometer at the Oak Ridge National Laboratory. Furthermore, the final R-factor is 8.64% for 16014 reflections.« less

  7. Catalyzed light hydride nanomaterials embedded in a micro-channels hydrogen storage container.

    PubMed

    Dehouche, Zahir; Peretti, Hernán A; Yoo, Yeong; Belkacemi, Khaled; Goyette, Jacques

    2009-01-01

    Activated alloys synthesized by arc-melting were examined as catalysts for improving the hydrogen sorption characteristics of nanostructured magnesium hydride, proposed as a reversible hydrogen storage material. The MgH(2)-catalyst absorbing materials were prepared by ball milling of pure MgH(2) with hydrided Zr(47)Ni(53), Zr(9)Ni(11), and other alloys investigated. The nanostructured MgH(2)-intermetallic systems were tested at 250 degrees C and catalyst addition of eutectoid Zr(47)Ni(53) resulted in the fastest desorption time and highest initial desorption rate. The catalyzed Mg-hydride with activated Zr(9)Ni(11) and Zr(7)Ni(10) phases showed fast desorption kinetics. Moreover, the results demonstrated that the composition of dispersed Zr(x)Ni(y)catalysts has a strong influence on the amount of accumulated hydrogen and desorption rate of Mg-nanocomposite. Part two covers advanced micro-channels hydrogen storage module design based on the results of semi-empirical computer simulations of heat and mass transfers in the container. The micro-channels reservoir concept offers many advantages over the conventional metal hydride hydrogen storage system. It is a micro-structured system that can pack a lot of power into a small space and dissipate effectively the heat of the sorption reactions. This review summarizes recent patents related to CNTS.

  8. Investigations of the structural stability of metal hydride composites by in-situ neutron imaging

    NASA Astrophysics Data System (ADS)

    Herbrig, Kai; Pohlmann, Carsten; Gondek, Łukasz; Figiel, Henryk; Kardjilov, Nikolay; Hilger, André; Manke, Ingo; Banhart, John; Kieback, Bernd; Röntzsch, Lars

    2015-10-01

    Metal hydride composites (MHC) with expanded natural graphite (ENG) exhibiting enhanced thermal conductivity and reduced porosity compared to metal hydride powders can enable a reversible, compact and safe way for hydrogen storage. In this study, neutron imaging during cyclic hydrogenation was utilized to investigate the structural stability and the spatial-temporal hydrogen concentration of application-oriented MHC with 40 mm in diameter compared to a loose metal hydride powder. In particular, swelling and shrinking effects of a radially confined MHC which could freely expand upwards were studied. It was found that the loose powder bed was easily torn apart during dehydrogenation, which leads to increased thermal resistance within the hydride bed. In contrast, the thermal resistance between MHC and container wall was minimized since the initial gap closes during initial hydrogenation and does not reopen thereafter. Further cyclic hydrogenation caused MHC volume changes, i.e. an almost reversible swelling/shrinking (so-called "MHC breathing"). Moreover, neutron imaging allowed for the observation of reaction fronts within the MHC and the powder bed that are governed by the heat transfer.

  9. Hydrides of intermetallic compounds and alloys: their properties and application in atomic technology

    SciTech Connect

    Perevezentsev, A. N.; Andreev, B. M.; Kapyshev, V. K.; Rivkis, L. A.; Malek, M. P.; Bystritskii, V. M.; Stolupin, V. A.

    1988-11-01

    The Soviet and foreign literature is reviewed and an attempt is made to systematize the large amount of information on the fundamental properties of most of the well-known hydride-forming intermetallic compounds and their practical use for the extraction, cleaning, and storage of hydrogen and the separation of its isotopes.

  10. Solid-State Hydriding Mechanism in the LiBH4 + MgH2 System

    SciTech Connect

    Shaw, Leon L.; Wan, Xuefei; Hu, Jian Z.; Kwak, Ja Hun; Yang, Zhenguo

    2010-05-06

    The LiBH4+MgH2 system has great potential in reversible hydrogen storage for fuel cell vehicles. However, it has always been dehydrogenated and re-hydrogenated in the liquid state until recently. The solid-state hydriding and dehydriding are necessary in order to achieve hydrogen uptake and release near the ambient temperature. In this study, the solid-state hydriding mechanism of 2LiH+MgB2 mixtures has been investigated for the first time. It is found that the solid-state hydriding proceeds in two elementary steps. The first step is the ion exchange between the Mg2+ and Li+ ions in the MgB2 crystal to form an intermediate compound (Mg1-xLi2x)B2. The second step is the continuous ion exchange and simultaneous hydrogenation of (Mg1-xLi2x)B2 to form LiBH4 and MgH2. This finding is consistent with the observed diffusion-controlled hydriding kinetics.*

  11. Investigations of intermetallic alloy hydriding mechanisms. Annual progress report, May 1 1979-April 30, 1980

    SciTech Connect

    Livesay, B.R.; Larsen, J.W.

    1980-05-01

    Investigations are being conducted on mechanisms involved with the hydrogen-metal interactions which control the absorption and desorption processes in intermetallic compounds. The status of the following investigations is reported: modeling of hydride formation; microbalance investigations; microstructure investigations; flexure experiments; resistivity experiments; and nuclear backscattering measurements. These investigations concern fundamental hydrogen interaction mechanisms involved in storage alloys.

  12. A PROTOTYPE FOUR INCH SHORT HYDRIDE (FISH) BED AS A REPLACEMENT TRITIUM STORAGE BED

    SciTech Connect

    Klein, J.; Estochen, E.; Shanahan, K.; Heung, L.

    2011-02-23

    The Savannah River Site (SRS) tritium facilities have used 1st generation (Gen1) metal hydride storage bed assemblies with process vessels (PVs) fabricated from 3 inch nominal pipe size (NPS) pipe to hold up to 12.6 kg of LaNi{sub 4.25}Al{sub 0.75} metal hydride for tritium gas absorption, storage, and desorption for over 15 years. The 2nd generation (Gen2) of the bed design used the same NPS for the PV, but the added internal components produced a bed nominally 1.2 m long, and presented a significant challenge for heater cartridge replacement in a footprint limited glove-box. A prototype 3rd generation (Gen3) metal hydride storage bed has been designed and fabricated as a replacement candidate for the Gen2 storage bed. The prototype Gen3 bed uses a PV pipe diameter of 4 inch NPS so the bed length can be reduced below 0.7 m to facilitate heater cartridge replacement. For the Gen3 prototype bed, modeling results show increased absorption rates when using hydrides with lower absorption pressures. To improve absorption performance compared to the Gen2 beds, a LaNi{sub 4.15}Al{sub 0.85} material was procured and processed to obtain the desired pressure-composition-temperature (PCT) properties. Other bed design improvements are also presented.

  13. Determination of arsenic and selenium in environmental and agricultural samples by hydride generation atomic absorption spectrometry

    SciTech Connect

    Hershey, J.W.; Oostdyk, T.S.; Keliher, P.N.

    1988-11-01

    Agricultural and environmental samples are digested with acid, and arsenic and selenium are determined using hydride generation atomic absorption spectrometry. Interelement interferences are eliminated by high acid concentrations or cation-exchange resins. Agreement with standard reference material is excellent. The technique is also applied to actual samples.

  14. Proton-coupled electron transfer: Metal hydrides find the sweet spot

    NASA Astrophysics Data System (ADS)

    Dempsey, Jillian L.

    2015-02-01

    The synchronous movement of protons and electrons orchestrated by enzymes gives rise to highly efficient catalytic processes in nature, such as photosynthesis. Now, researchers have choreographed similar reactivity for a metal hydride complex, setting the stage for efficient solar fuel production in artificial systems.

  15. Bis(diisopropylphosphino)pyridine iron dicarbonyl, dihydride, and silyl hydride complexes.

    PubMed

    Trovitch, Ryan J; Lobkovsky, Emil; Chirik, Paul J

    2006-09-01

    Treatment of the bis(diisopropylphosphino)pyridine iron dichloride, ((iPr)PNP)FeCl2 ((iPr)PNP = 2,6-(iPr2PCH2)2(C5H3N)), with 2 equiv of NaBEt3H under an atmosphere of dinitrogen furnished the diamagnetic iron(II) dihydride dinitrogen complex, ((iPr)PNP)FeH2(N2). Addition of 1 equiv of PhSiH3 to ((iPr)PNP)FeH2(N2) resulted in exclusive substitution of the hydride trans to the pyridine to yield the silyl hydride dinitrogen compound, ((iPr)PNP)FeH(SiH2Ph)N2, which has been characterized by X-ray diffraction. The solid-state structure established a distorted octahedral geometry where the hydride ligand distorts toward the iron silyl. Both ((iPr)PNP)FeH2(N2) and ((iPr)PNP)FeH(SiH2Ph)N2 form eta2-dihydrogen complexes upon exposure to H2. The iron hydrides and the eta2-H2 ligands are in rapid exchange in solution, consistent with the previously reported "cis" effect, arising from a dipole/induced dipole interaction between the two ligands. Taken together, the spectroscopic, structural, and reactivity studies highlight the relative electron-donating ability of this pincer ligand as compared to the redox-active aryl-substituted bis(imino)pyridines.

  16. Laboratory Rotational Spectroscopy of the Interstellar Diatomic Hydride Ion SH+ (X 3Σ-)

    NASA Astrophysics Data System (ADS)

    Halfen, DeWayne; Ziurys, Lucy M.

    2016-06-01

    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 principally in the submillimeter and far-infrared regions. Diatomic hydrides, both neutral (MH) and ionic (MH+) forms, are also basic building blocks of interstellar chemistry. In ionic form, they may be the “hidden” carriers of refractory elements in dense gas. They are therefore extremely good targets for space-borne and airborne platforms such as Herschel, SOFIA, and SAFIR. However, in order to detect these species in the ISM, their rotational spectra must first be measured in the laboratory. To date, there is very little high resolution data available for many hydride species, in particular the ionic form. Using submillimeter/THz direct absorption methods in the Ziurys laboratory, spectra of the interstellar diatomic hydride SH+ (X 3Σ-) have been recorded. Recent work has concerned measurement of all three fine structure components of the fundamental rotational transition N = 1 ← 0 in the range 345 - 683 GHz. SH+ was generated from H2S and argon in an AC discharge. The data have been analyzed, and spectroscopic constants for this species have been refined. SH+ is found in Photon Dominated Regions (PDRs) and X-ray Dominated Regions (XDRs) and is thought to trace energetic processes in the ISM. These current measurements confirm recent observations of this species at submillimeter/THz wavelengths with ALMA and other ground-based telescopes.

  17. Development of encapsulated lithium hydride thermal energy storage for space power systems

    SciTech Connect

    Morris, D.G.; Foote, J.P.; Olszewski, M.

    1987-12-01

    Inclusion of thermal energy storage in a pulsed space power supply will reduce the mass of the heat rejection system. In this mode, waste heat generated during the brief high-power burst operation is placed in the thermal store; later, the heat in the store is dissipated to space via the radiator over the much longer nonoperational period of the orbit. Thus, the radiator required is of significantly smaller capacity. Scoping analysis indicates that use of lithium hydride as the thermal storage medium results in system mass reduction benefits for burst periods as long as 800 s. A candidate design for the thermal energy storage component utilizes lithium hydride encapsulated in either 304L stainless steel or molybdenum in a packed-bed configuration with a lithium or sodium-potassium (NaK) heat transport fluid. Key issues associated with the system design include phase-change induced stresses in the shell, lithium hydride and shell compatibility, lithium hydride dissociation and hydrogen loss from the system, void presence and movement associated with the melt-freeze process, and heat transfer limitations on obtaining the desired energy storage density. 58 refs., 40 figs., 11 tabs.

  18. Aluminum-titanium hydride-boron carbide composite provides lightweight neutron shield material

    NASA Technical Reports Server (NTRS)

    Poindexter, A. M.

    1967-01-01

    Inexpensive lightweight neutron shield material has high strength and ductility and withstands high internal heat generation rates without excessive thermal stress. This composite material combines structural and thermal properties of aluminum, neutron moderating properties of titanium hydride, and neutron absorbing characteristics of boron carbide.

  19. First Principles Studies of Phase Stability and Reaction Dynamics in Complex Metal Hydrides

    SciTech Connect

    Chou, Mei-Yin

    2014-09-29

    Complex metal hydrides are believed to be one of the most promising materials for developing hydrogen storage systems that can operate under desirable conditions. At the same time, these are also a class of materials that exhibit intriguing properties. We have used state-of-the-art computational techniques to study the fundamental properties of these materials.

  20. Neutron diffraction studies of a four-coordinated hydride in near square-planar geometry.

    PubMed

    Liao, Jian-Hong; Dhayal, Rajendra Singh; Wang, Xiaoping; Kahlal, Samia; Saillard, Jean-Yves; Liu, C W

    2014-10-20

    The structure of a nanospheric polyhydrido copper cluster, [Cu20(H)11{S2P(O(i)Pr)2}9], was determined by single-crystal neutron diffraction. The Cu20 cluster consists of an elongated triangular orthobicupola constructed from 18 Cu atoms that encapsulate a [Cu2H5](3-) ion with an exceptionally short Cu-Cu distance. The 11 hydrides in the cluster display three different coordination modes to the Cu atoms: six μ3-hydrides in a pyramidal geometry, two μ4-hydrides in a tetrahedral cavity, and three μ4-hydrides in an unprecedented near square-planar geometry. The neutron data set was collected for 7 days on a small crystal with dimensions of 0.20 mm × 0.50 mm × 0.65 mm using the Spallation Neutron Source TOPAZ single-crystal time-of-flight Laue diffractometer at Oak Ridge National Laboratory. The final R-factor was 8.63% for 16,014 reflections. PMID:25290745

  1. Observations of proton beam enhancement due to erbium hydride on gold foil targets

    SciTech Connect

    Offermann, D. T.; Van Woerkom, L. D.; Freeman, R. R.; Foord, M. E.; Hey, D.; Key, M. H.; Mackinnon, A. J.; MacPhee, A. G.; Patel, P. K.; Ping, Y.; Sanchez, J. J.; Shen, N.; Bartal, T.; Beg, F. N.; Espada, L.; Chen, C. D.

    2009-09-15

    Recent theoretical work suggests that the conversion efficiency from laser to protons in laser irradiated thin foil experiments increases if the atomic mass of nonhydrogen atoms on the foil rear surface increases. Experiments were performed at the Lawrence Livermore National Laboratory Jupiter Laser Facility to observe the effect of thin foils coated with erbium hydride on the conversion efficiency from laser to protons. Gold foils with and without the rear surface coated with ErH{sub 3} were irradiated using the ultrashort pulse, 40 TW Callisto laser. An argon-ion etching system was used to remove naturally occurring nanometer thick surface layer contaminants from the hydride. With the etcher, gold with ErH{sub 3} showed a 25% increase in the conversion efficiency to protons above 3.4 MeV relative to contaminants, where C{sup +4} and H{sup +} were the dominant ion species. No difference in the ion signal was observed without first cleaning the hydrides. Simulations using the hybrid PIC code, LSP, revealed that the increase due to erbium hydride versus contaminants is 37% for protons above 3 MeV.

  2. COMPREHENSIVE ANALYSIS OF BIOLOGICALLY RELEVANT ARSENICALS BY PH-SELECTIVE HYDRIDE GENERATION-ATOMIC ABSORPTION SPECTROMETRY

    EPA Science Inventory


    A method based on pH-selective generation and separation of arsines is commonly used for analysis of inorganic, methylated, and dimethylated trivalent and pentavalent arsenicals by hydride generation-atomic absorption spectrometry (HG-AAS). We have optimized this method to pe...

  3. Catalytic arene hydrogenation using early transition metal hydride compounds. Progress report

    SciTech Connect

    Rothwell, I.P.

    1993-03-15

    Progress was achieved in four areas: development of surface supported Group 5 metal organometallic compounds for catalytic arene hydrogenation, isolation and reactivity of possible intermediates in catalytic arene hydrogenation, synthesis and characterization of new d{sup 0}-metal hydride compounds, and stoichiometric reactivity of d{sup 0} metal hydrido, aryloxide compounds. (DLC)

  4. Effect of pH on hydride transfer by Escherichia coli dihydrofolate reductase.

    PubMed

    Loveridge, E Joel; Allemann, Rudolf K

    2011-05-16

    The kinetic isotope effect (KIE) on hydride transfer in the reaction catalysed by dihydrofolate reductase from Escherichia coli (EcDHFR) is known to be temperature dependent at pH 7, but essentially independent of temperature at elevated pH. Here, we show that the transition from the temperature-dependent regime to the temperature-independent regime occurs sharply between pH 7.5 and 8. The activation energy for hydride transfer is independent of pH. The mechanism leading to the change in behaviour of the KIEs is not clear, but probably involves a conformational change in the enzyme brought about by deprotonation of a key residue (or residues) at high pH. The KIE on hydride transfer at low pH suggests that the rate constant for the reaction is not limited by a conformational change to the enzyme under these conditions. The effect of pH on the temperature dependence of the rate constants and KIEs for hydride transfer catalysed by EcDHFR suggests that enzyme motions and conformational changes do not directly influence the chemistry, but that the reaction conditions affect the conformational ensemble of the enzyme prior to reaction and control the reaction though this route.

  5. Non-precious bimetallic catalysts for selective dehydrogenation of an organic chemical hydride system.

    PubMed

    Al-ShaikhAli, Anaam H; Jedidi, Abdesslem; Cavallo, Luigi; Takanabe, Kazuhiro

    2015-08-21

    Methylcyclohexane (MCH)-toluene (TOL) chemical hydride cycles as hydrogen carrier systems are successful with the selective dehydrogenation of MCH to TOL, which has been achieved only using precious Pt-based catalysts. Herein, we report improved selectivity using non-precious metal nickel-based bimetallic catalysts, where the second metal occupies the unselective step sites.

  6. The development of nickel-metal hydride technology for use in aerospace applications

    NASA Technical Reports Server (NTRS)

    Rampel, Guy; Johnson, Herschel; Dell, Dan; Wu, Tony; Puglisi, Vince

    1992-01-01

    The nickel metal hydride technology for battery application is relatively immature even though this technology was made widely known by Philips' scientists as long ago as 1970. Recently, because of the international environmental regulatory pressures being placed on cadmium in the workplace and in disposal practices, battery companies have initiated extensive development programs to make this technology a viable commercial operation. These hydrides do not pose a toxilogical threat as does cadmium. Also, they provide a higher energy density and specific energy when compared to the other nickel based battery technologies. For these reasons, the nickel metal hydride electrochemisty is being evaluated as the next power source for varied applications such as laptop computers, cellular telephones, electric vehicles, and satellites. A parallel development effort is under way to look at aerospace applications for nickel metal hydride cells. This effort is focused on life testing of small wound cells of the commercial type to validate design options and development of prismatic design cells for aerospace applications.

  7. The influence of stress state on the reorientation of hydrides in a zirconium alloy

    NASA Astrophysics Data System (ADS)

    Cinbiz, Mahmut N.; Koss, Donald A.; Motta, Arthur T.

    2016-08-01

    Hydride reorientation can occur in spent nuclear fuel cladding when subjected to a tensile hoop stress above a threshold value during cooling. Because in these circumstances the cladding is under a multiaxial stress state, the effect of stress biaxiality on the threshold stress for hydride reorientation is investigated using hydrided CWSR Zircaloy-4 sheet specimens containing ∼180 wt ppm of hydrogen and subjected to a two-cycle thermo-mechanical treatment. The study is based on especially designed specimens within which the stress biaxiality ratios range from uniaxial (σ2/σ1 = 0) to "near-equibiaxial" tension (σ2/σ1 = 0.8). The threshold stress is determined by mapping finite element calculations of the principal stresses and of the stress biaxiality ratio onto the hydride microstructure obtained after the thermo-mechanical treatment. The results show that the threshold stress (maximum principal stress) decreases from 155 to 75 MPa as the stress biaxiality increases from uniaxial to "near-equibiaxial" tension.

  8. Internal hydriding in irradiated defected Zircaloy fuel rods: A review (LWBR Development Program)

    SciTech Connect

    Clayton, J C

    1987-10-01

    Although not a problem in recent commercial power reactors, including the Shippingport Light Water Breeder Reactor, internal hydriding of Zircaloy cladding was a persistent cause of gross cladding failures during the 1960s. It occurred in the fuel rods of water-cooled nuclear power reactors that had a small cladding defect. This report summarizes the experimental findings, causes, mechanisms, and methods of minimizing internal hydriding in defected Zircaloy-clad fuel rods. Irradiation test data on the different types of defected fuel rods, intentionally fabricated defected and in-pile operationally defected rods, are compared. Significant factors affecting internal hydriding in defected Zircaloy-clad fuel rods (defect hole size, internal and external sources of hydrogen, Zircaloy cladding surface properties, nickel alloy contamination of Zircaloy, the effect of heat flux and fluence) are discussed. Pertinent in-pile and out-of-pile test results from Bettis and other laboratories are used as a data base in constructing a qualitative model which explains hydrogen generation and distribution in Zircaloy cladding of defected water-cooled reactor fuel rods. Techniques for minimizing internal hydride failures in Zircaloy-clad fuel rods are evaluated.

  9. Influence of temperature and hydrogen content on stress-induced radial hydride precipitation in Zircaloy-4 cladding

    NASA Astrophysics Data System (ADS)

    Desquines, J.; Drouan, D.; Billone, M.; Puls, M. P.; March, P.; Fourgeaud, S.; Getrey, C.; Elbaz, V.; Philippe, M.

    2014-10-01

    Radial hydride precipitation in stress relieved Zircaloy-4 fuel claddings is studied using a new thermal-mechanical test. Two maximum temperatures for radial hydride precipitation heat treatment are studied, 350 and 450 °C with hydrogen contents ranging between 50 and 600 wppm. The new test provides two main results of interest: the minimum hoop stress required to precipitate radial hydrides and a maximum stress above which, all hydrides precipitate in the radial direction. Based on these two extreme stress conditions, a model is derived to determine the stress level required to obtain a given fraction of radial hydrides after high temperature thermal-mechanical heat treatment. The proposed model is validated using metallographic observation data on pressurized tubes cooled down under constant pressure. Most of the samples with reoriented hydrides are further subjected to a ductility test. Using finite element modeling, the test results are analyzed in terms of crack nucleation within radial hydrides at the outer diameter and crack growth through the thickness of the tubular samples. The combination of test results shows that samples with hydrogen contents of about 100 wppm had the lowest ductility.

  10. Draft of M2 Report on Integration of the Hybrid Hydride Model into INL's MBM Framework for Review

    SciTech Connect

    Tikare, Veena; Weck, Philippe F.; Schultz, Peter A.; Clark, Blythe; Glazoff, Michael; Homer, Eric

    2014-07-01

    This report documents the development, demonstration and validation of a mesoscale, microstructural evolution model for simulation of zirconium hydride {delta}-ZrH{sub 1.5} precipitation in the cladding of used nuclear fuels that may occur during long-term dry storage. While the Zr-based claddings are manufactured free of any hydrogen, they absorb hydrogen during service, in the reactor by a process commonly termed ‘hydrogen pick-up’. The precipitation and growth of zirconium hydrides during dry storage is one of the most likely fuel rod integrity failure mechanisms either by embrittlement or delayed hydride cracking of the cladding. While the phenomenon is well documented and identified as a potential key failure mechanism during long-term dry storage (NUREG/CR-7116), the ability to actually predict the formation of hydrides is poor. The model being documented in this work is a computational capability for the prediction of hydride formation in different claddings of used nuclear fuels. This work supports the Used Fuel Disposition Research and Development Campaign in assessing the structural engineering performance of the cladding during and after long-term dry storage. This document demonstrates a basic hydride precipitation model that is built on a recently developed hybrid Potts-phase field model that combines elements of Potts-Monte Carlo and the phase-field models. The model capabilities are demonstrated along with the incorporation of the starting microstructure, thermodynamics of the Zr-H system and the hydride formation mechanism.

  11. In search of metal hydrides: an X-ray absorption and emission study of [NiFe] hydrogenase model complexes.

    PubMed

    Hugenbruch, Stefan; Shafaat, Hannah S; Krämer, Tobias; Delgado-Jaime, Mario Ulises; Weber, Katharina; Neese, Frank; Lubitz, Wolfgang; DeBeer, Serena

    2016-04-28

    Metal hydrides are invoked as important intermediates in both chemical and biological H2 production. In the [NiFe] hydrogenase enzymes, pulsed EPR and high-resolution crystallography have argued that the hydride interacts primarily at the Ni site. In contrast, in [NiFe] hydrogenase model complexes, it is observed that the bridging hydride interacts primarily with the Fe. Herein, we utilize a combination of Ni and Fe X-ray absorption (XAS) and emission (XES) spectroscopies to examine the contribution of the bridging hydride to the observed spectral features in [(dppe)Ni(μ-pdt)(μ-H)Fe(CO)3](+). The corresponding data on (dppe)Ni(μ-pdt)Fe(CO)3 are used as a reference for the changes that occur in the absence of a hydride bridge. For further interpretation of the observed spectral features, all experimental spectra were calculated using a density functional theory (DFT) approach, with excellent agreement between theory and experiment. It is found that the iron valence-to-core (VtC) XES spectra reveal clear signatures for the presence of a Fe-H interaction in the hydride bridged model complex. In contrast, the Ni VtC XES spectrum largely reflects changes in the local Ni geometry and shows little contribution from a Ni-H interaction. A stepwise theoretical analysis of the hydride contribution and the Ni site symmetry provides insights into the factors, which govern the different metal-hydride interactions in both the model complexes and the enzyme. Furthermore, these results establish the utility of two-color XES to reveal important insights into the electronic structure of various metal-hydride species. PMID:26924248

  12. Mechanisms and energetics of hydride dissociation reactions on surfaces of plasma-deposited silicon thin films

    NASA Astrophysics Data System (ADS)

    Singh, Tejinder; Valipa, Mayur S.; Mountziaris, T. J.; Maroudas, Dimitrios

    2007-11-01

    We report results from a detailed analysis of the fundamental silicon hydride dissociation processes on silicon surfaces and discuss their implications for the surface chemical composition of plasma-deposited hydrogenated amorphous silicon (a-Si:H) thin films. The analysis is based on a synergistic combination of first-principles density functional theory (DFT) calculations of hydride dissociation on the hydrogen-terminated Si(001)-(2×1) surface and molecular-dynamics (MD) simulations of adsorbed SiH3 radical precursor dissociation on surfaces of MD-grown a-Si :H films. Our DFT calculations reveal that, in the presence of fivefold coordinated surface Si atoms, surface trihydride species dissociate sequentially to form surface dihydrides and surface monohydrides via thermally activated pathways with reaction barriers of 0.40-0.55eV. The presence of dangling bonds (DBs) results in lowering the activation barrier for hydride dissociation to 0.15-0.20eV, but such DB-mediated reactions are infrequent. Our MD simulations on a-Si :H film growth surfaces indicate that surface hydride dissociation reactions are predominantly mediated by fivefold coordinated surface Si atoms, with resulting activation barriers of 0.35-0.50eV. The results are consistent with experimental measurements of a-Si :H film surface composition using in situ attenuated total reflection Fourier transform infrared spectroscopy, which indicate that the a-Si :H surface is predominantly covered with the higher hydrides at low temperatures, while the surface monohydride, SiH(s ), becomes increasingly more dominant as the temperature is increased.

  13. Advanced chemical hydride-based hydrogen generation/storage system for fuel cell vehicles

    SciTech Connect

    Breault, R.W.; Rolfe, J.

    1998-08-01

    Because of the inherent advantages of high efficiency, environmental acceptability, and high modularity, fuel cells are potentially attractive power supplies. Worldwide concerns over clean environments have revitalized research efforts on developing fuel cell vehicles (FCV). As a result of intensive research efforts, most of the subsystem technology for FCV`s are currently well established. These include: high power density PEM fuel cells, control systems, thermal management technology, and secondary power sources for hybrid operation. For mobile applications, however, supply of hydrogen or fuel for fuel cell operation poses a significant logistic problem. To supply high purity hydrogen for FCV operation, Thermo Power`s Advanced Technology Group is developing an advanced hydrogen storage technology. In this approach, a metal hydride/organic slurry is used as the hydrogen carrier and storage media. At the point of use, high purity hydrogen will be produced by reacting the metal hydride/organic slurry with water. In addition, Thermo Power has conceived the paths for recovery and regeneration of the spent hydride (practically metal hydroxide). The fluid-like nature of the spent hydride/organic slurry will provide a unique opportunity for pumping, transporting, and storing these materials. The final product of the program will be a user-friendly and relatively high energy storage density hydrogen supply system for fuel cell operation. In addition, the spent hydride can relatively easily be collected at the pumping station and regenerated utilizing renewable sources, such as biomass, natural, or coal, at the central processing plants. Therefore, the entire process will be economically favorable and environmentally friendly.

  14. Calculation of thermodynamic hydricities and the design of hydride donors for CO2 reduction

    PubMed Central

    Muckerman, James T.; Achord, Patrick; Creutz, Carol; Polyansky, Dmitry E.; Fujita, Etsuko

    2012-01-01

    We have developed a correlation between experimental and density functional theory-derived results of the hydride-donating power, or “hydricity”, of various ruthenium, rhenium, and organic hydride donors. This approach utilizes the correlation between experimental hydricity values and their corresponding calculated free-energy differences between the hydride donors and their conjugate acceptors in acetonitrile, and leads to an extrapolated value of the absolute free energy of the hydride ion without the necessity to calculate it directly. We then use this correlation to predict, from density functional theory-calculated data, hydricity values of ruthenium and rhenium complexes that incorporate the pbnHH ligand—pbnHH = 1,5-dihydro-2-(2-pyridyl)-benzo[b]-1,5-naphthyridine—to model the function of NADPH. These visible light-generated, photocatalytic complexes produced by disproportionation of a protonated-photoreduced dimer of a metal-pbn complex may be valuable for use in reducing CO2 to fuels such as methanol. The excited-state lifetime of photoexcited [Ru(bpy)2(pbnHH)]2+ is found to be about 70 ns, and this excited state can be reductively quenched by triethylamine or 1,4-diazabicyclo[2.2.2]octane to produce the one-electron-reduced [Ru(bpy)2(pbnHH)]+ species with half-life exceeding 50 μs, thus opening the door to new opportunities for hydride-transfer reactions leading to CO2 reduction by producing a species with much increased hydricity. PMID:22826261

  15. Automation in organizations: Eternal conflict

    NASA Technical Reports Server (NTRS)

    Dieterly, D. L.

    1981-01-01

    Some ideas on and insights into the problems associated with automation in organizations are presented with emphasis on the concept of automation, its relationship to the individual, and its impact on system performance. An analogy is drawn, based on an American folk hero, to emphasize the extent of the problems encountered when dealing with automation within an organization. A model is proposed to focus attention on a set of appropriate dimensions. The function allocation process becomes a prominent aspect of the model. The current state of automation research is mentioned in relation to the ideas introduced. Proposed directions for an improved understanding of automation's effect on the individual's efficiency are discussed. The importance of understanding the individual's perception of the system in terms of the degree of automation is highlighted.

  16. Heavy hydrides: H{sub 2}Te ultraviolet photochemistry

    SciTech Connect

    Underwood, J.; Chastaing, D.; Lee, S.; Wittig, C.

    2005-08-22

    The room-temperature ultraviolet absorption spectrum of H{sub 2}Te has been recorded. Unlike other group-6 hydrides, it displays a long-wavelength tail that extends to 400 nm. Dissociation dynamics have been examined at photolysis wavelengths of 266 nm (which lies in the main absorption feature) and 355 nm (which lies in the long-wavelength tail) by using high-n Rydberg time-of-flight spectroscopy to obtain center-of-mass translational energy distributions for the channels that yield H atoms. Photodissociation at 355 nm yields TeH({sup 2}{pi}{sub 1/2}) selectively relative to the TeH({sup 2}{pi}{sub 3/2}) ground state. This is attributed to the role of the 3A{sup '} state, which has a shallow well at large R{sub H-TeH} and correlates to H+TeH({sup 2}{pi}{sub 1/2}). Note that the {sup 2}{pi}{sub 1/2} state is analogous to the {sup 2}P{sub 1/2} spin-orbit excited state of atomic iodine, which is isoelectronic with TeH. The 3A{sup '} state is crossed at large R only by 2A{sup ''}, with which it does not interact. The character of 3A{sup '} at large R is influenced by a strong spin-orbit interaction in the TeH product. Namely, {sup 2}{pi}{sub 1/2} has a higher degree of spherical symmetry than does {sup 2}{pi}{sub 3/2} (recall that I({sup 2}P{sub 1/2}) is spherically symmetric), and consequently {sup 2}{pi}{sub 1/2} is not inclined to form either strongly bonding or antibonding orbitals with the H atom. The 3A{sup '}<-X transition dipole moment dominates in the long-wavelength region and increases with R. Structure observed in the absorption spectrum in the 380-400 nm region is attributed to vibrations on 3A{sup '}. The main absorption feature that is peaked at {approx}240 nm might arise from several excited surfaces. On the basis of the high degree of laboratory system spatial anisotropy of the fragments from 266 nm photolysis, as well as high-level theoretical studies, the main contribution is believed to be due to the 4A{sup ''} surface. The 4A{sup ''}<-X transition

  17. [Automated anesthesia record system].

    PubMed

    Zhu, Tao; Liu, Jin

    2005-12-01

    Based on Client/Server architecture, a software of automated anesthesia record system running under Windows operation system and networks has been developed and programmed with Microsoft Visual C++ 6.0, Visual Basic 6.0 and SQL Server. The system can deal with patient's information throughout the anesthesia. It can collect and integrate the data from several kinds of medical equipment such as monitor, infusion pump and anesthesia machine automatically and real-time. After that, the system presents the anesthesia sheets automatically. The record system makes the anesthesia record more accurate and integral and can raise the anesthesiologist's working efficiency.

  18. Automated fiber pigtailing machine

    DOEpatents

    Strand, O.T.; Lowry, M.E.

    1999-01-05

    The Automated Fiber Pigtailing Machine (AFPM) aligns and attaches optical fibers to optoelectronic (OE) devices such as laser diodes, photodiodes, and waveguide devices without operator intervention. The so-called pigtailing process is completed with sub-micron accuracies in less than 3 minutes. The AFPM operates unattended for one hour, is modular in design and is compatible with a mass production manufacturing environment. This machine can be used to build components which are used in military aircraft navigation systems, computer systems, communications systems and in the construction of diagnostics and experimental systems. 26 figs.

  19. Automated fiber pigtailing machine

    DOEpatents

    Strand, Oliver T.; Lowry, Mark E.

    1999-01-01

    The Automated Fiber Pigtailing Machine (AFPM) aligns and attaches optical fibers to optoelectonic (OE) devices such as laser diodes, photodiodes, and waveguide devices without operator intervention. The so-called pigtailing process is completed with sub-micron accuracies in less than 3 minutes. The AFPM operates unattended for one hour, is modular in design and is compatible with a mass production manufacturing environment. This machine can be used to build components which are used in military aircraft navigation systems, computer systems, communications systems and in the construction of diagnostics and experimental systems.

  20. Automated Propellant Blending

    NASA Technical Reports Server (NTRS)

    Hohmann, Carl W. (Inventor); Harrington, Douglas W. (Inventor); Dutton, Maureen L. (Inventor); Tipton, Billy Charles, Jr. (Inventor); Bacak, James W. (Inventor); Salazar, Frank (Inventor)

    2000-01-01

    An automated propellant blending apparatus and method that uses closely metered addition of countersolvent to a binder solution with propellant particles dispersed therein to precisely control binder precipitation and particle aggregation is discussed. A profile of binder precipitation versus countersolvent-solvent ratio is established empirically and used in a computer algorithm to establish countersolvent addition parameters near the cloud point for controlling the transition of properties of the binder during agglomeration and finishing of the propellant composition particles. The system is remotely operated by computer for safety, reliability and improved product properties, and also increases product output.

  1. Automated Propellant Blending

    NASA Technical Reports Server (NTRS)

    Hohmann, Carl W. (Inventor); Harrington, Douglas W. (Inventor); Dutton, Maureen L. (Inventor); Tipton, Billy Charles, Jr. (Inventor); Bacak, James W. (Inventor); Salazar, Frank (Inventor)

    1999-01-01

    An automated propellant blending apparatus and method uses closely metered addition of countersolvent to a binder solution with propellant particles dispersed therein to precisely control binder precipitation and particle aggregation. A profile of binder precipitation versus countersolvent-solvent ratio is established empirically and used in a computer algorithm to establish countersolvent addition parameters near the cloud point for controlling the transition of properties of the binder during agglomeration and finishing of the propellant composition particles. The system is remotely operated by computer for safety, reliability and improved product properties, and also increases product output.

  2. The Automated Medical Office

    PubMed Central

    Petreman, Mel

    1990-01-01

    With shock and surprise many physicians learned in the 1980s that they must change the way they do business. Competition for patients, increasing government regulation, and the rapidly escalating risk of litigation forces physicians to seek modern remedies in office management. The author describes a medical clinic that strives to be paperless using electronic innovation to solve the problems of medical practice management. A computer software program to automate information management in a clinic shows that practical thinking linked to advanced technology can greatly improve office efficiency. PMID:21233899

  3. Automated Hazard Analysis

    2003-06-26

    The Automated Hazard Analysis (AHA) application is a software tool used to conduct job hazard screening and analysis of tasks to be performed in Savannah River Site facilities. The AHA application provides a systematic approach to the assessment of safety and environmental hazards associated with specific tasks, and the identification of controls regulations, and other requirements needed to perform those tasks safely. AHA is to be integrated into existing Savannah River site work control andmore » job hazard analysis processes. Utilization of AHA will improve the consistency and completeness of hazard screening and analysis, and increase the effectiveness of the work planning process.« less

  4. The automated medical office.

    PubMed

    Petreman, M

    1990-08-01

    With shock and surprise many physicians learned in the 1980s that they must change the way they do business. Competition for patients, increasing government regulation, and the rapidly escalating risk of litigation forces physicians to seek modern remedies in office management. The author describes a medical clinic that strives to be paperless using electronic innovation to solve the problems of medical practice management. A computer software program to automate information management in a clinic shows that practical thinking linked to advanced technology can greatly improve office efficiency.

  5. World-wide distribution automation systems

    SciTech Connect

    Devaney, T.M.

    1994-12-31

    A worldwide power distribution automation system is outlined. Distribution automation is defined and the status of utility automation is discussed. Other topics discussed include a distribution management system, substation feeder, and customer functions, potential benefits, automation costs, planning and engineering considerations, automation trends, databases, system operation, computer modeling of system, and distribution management systems.

  6. Automated System Marketplace 1995: The Changing Face of Automation.

    ERIC Educational Resources Information Center

    Barry, Jeff; And Others

    1995-01-01

    Discusses trends in the automated system marketplace with specific attention to online vendors and their customers: academic, public, school, and special libraries. Presents vendor profiles; tables and charts on computer systems and sales; and sidebars that include a vendor source list and the differing views on procuring an automated library…

  7. Crack growth through the thickness of thin-sheet Hydrided Zircaloy-4

    NASA Astrophysics Data System (ADS)

    Raynaud, Patrick A. C.

    In recent years, the limits on fuel burnup have been increased to allow an increase in the amount of energy produced by a nuclear fuel assembly thus reducing waste volume and allowing greater capacity factors. As a result, it is paramount to ensure safety after longer reactor exposure times in the case of design-basis accidents, such as reactivity-initiated accidents (RIA). Previously proposed failure criteria do not directly address the particular cladding failure mechanism during a RIA, in which crack initiation in brittle outer-layers is immediately followed by crack growth through the thickness of the thin-wall tubing. In such a case, the fracture toughness of hydrided thin-wall cladding material must be known for the conditions of through-thickness crack growth in order to predict the failure of high-burnup cladding. The fracture toughness of hydrided Zircaloy-4 in the form of thin-sheet has been examined for the condition of through-thickness crack growth as a function of hydride content and distribution at 25°C, 300°C, and 375°C. To achieve this goal, an experimental procedure was developed in which a linear hydride blister formed across the width of a four-point bend specimen was used to inject a sharp crack that was subsequently extended by fatigue pre-cracking. The electrical potential drop method was used to monitor the crack length during fracture toughness testing, thus allowing for correlation of the load-displacement record with the crack length. Elastic-plastic fracture mechanics were used to interpret the experimental test results in terms of fracture toughness, and J-R crack growth resistance curves were generated. Finite element modeling was performed to adapt the classic theories of fracture mechanics applicable to thick-plate specimens to the case of through-thickness crack growth in thin-sheet materials, and to account for non-uniform crack fronts. Finally, the hydride microstructure was characterized in the vicinity of the crack tip by

  8. Maneuver Automation Software

    NASA Technical Reports Server (NTRS)

    Uffelman, Hal; Goodson, Troy; Pellegrin, Michael; Stavert, Lynn; Burk, Thomas; Beach, David; Signorelli, Joel; Jones, Jeremy; Hahn, Yungsun; Attiyah, Ahlam; Illsley, Jeannette

    2009-01-01

    The Maneuver Automation Software (MAS) automates the process of generating commands for maneuvers to keep the spacecraft of the Cassini-Huygens mission on a predetermined prime mission trajectory. Before MAS became available, a team of approximately 10 members had to work about two weeks to design, test, and implement each maneuver in a process that involved running many maneuver-related application programs and then serially handing off data products to other parts of the team. MAS enables a three-member team to design, test, and implement a maneuver in about one-half hour after Navigation has process-tracking data. MAS accepts more than 60 parameters and 22 files as input directly from users. MAS consists of Practical Extraction and Reporting Language (PERL) scripts that link, sequence, and execute the maneuver- related application programs: "Pushing a single button" on a graphical user interface causes MAS to run navigation programs that design a maneuver; programs that create sequences of commands to execute the maneuver on the spacecraft; and a program that generates predictions about maneuver performance and generates reports and other files that enable users to quickly review and verify the maneuver design. MAS can also generate presentation materials, initiate electronic command request forms, and archive all data products for future reference.

  9. Space station advanced automation

    NASA Technical Reports Server (NTRS)

    Woods, Donald

    1990-01-01

    In the development of a safe, productive and maintainable space station, Automation and Robotics (A and R) has been identified as an enabling technology which will allow efficient operation at a reasonable cost. The Space Station Freedom's (SSF) systems are very complex, and interdependent. The usage of Advanced Automation (AA) will help restructure, and integrate system status so that station and ground personnel can operate more efficiently. To use AA technology for the augmentation of system management functions requires a development model which consists of well defined phases of: evaluation, development, integration, and maintenance. The evaluation phase will consider system management functions against traditional solutions, implementation techniques and requirements; the end result of this phase should be a well developed concept along with a feasibility analysis. In the development phase the AA system will be developed in accordance with a traditional Life Cycle Model (LCM) modified for Knowledge Based System (KBS) applications. A way by which both knowledge bases and reasoning techniques can be reused to control costs is explained. During the integration phase the KBS software must be integrated with conventional software, and verified and validated. The Verification and Validation (V and V) techniques applicable to these KBS are based on the ideas of consistency, minimal competency, and graph theory. The maintenance phase will be aided by having well designed and documented KBS software.

  10. Automated office blood pressure.

    PubMed

    Myers, Martin G; Godwin, Marshall

    2012-05-01

    Manual blood pressure (BP) is gradually disappearing from clinical practice with the mercury sphygmomanometer now considered to be an environmental hazard. Manual BP is also subject to measurement error on the part of the physician/nurse and patient-related anxiety which can result in poor quality BP measurements and office-induced (white coat) hypertension. Automated office (AO) BP with devices such as the BpTRU (BpTRU Medical Devices, Coquitlam, BC) has already replaced conventional manual BP in many primary care practices in Canada and has also attracted interest in other countries where research studies using AOBP have been undertaken. The basic principles of AOBP include multiple readings taken with a fully automated recorder with the patient resting alone in a quiet room. When these principles are followed, office-induced hypertension is eliminated and AOBP exhibits a much stronger correlation with the awake ambulatory BP as compared with routine manual BP measurements. Unlike routine manual BP, AOBP correlates as well with left ventricular mass as does the awake ambulatory BP. AOBP also simplifies the definition of hypertension in that the cut point for a normal AOBP (< 135/85 mm Hg) is the same as for the awake ambulatory BP and home BP. This article summarizes the currently available evidence supporting the use of AOBP in routine clinical practice and proposes an algorithm in which AOBP replaces manual BP for the diagnosis and management of hypertension. PMID:22265230

  11. Role of electronic, geometric, and surface properties on the mechanism of the electrochemical hydriding/dehydriding reactions

    SciTech Connect

    Srinivasan, S.; Zhang, W.; Kumar, M.P.S.

    1996-03-01

    Since 1990 there has been an ongoing collaboration among the authors to investigate the role of individual elements on the thermodynamics and kinetics of hydriding/dehydriding reactions. This review article presents the electrochemical and physicochemical characteristics of hydriding/dehydriding reactions from the point of view of their dependence on electronic, geometric and surface properties of the hydride materials. X-ray absorption spectroscopy (XAS), x-ray diffraction spectroscopy (XRD) and scanning vibrating electrode technique (SVET) studies were based on AB{sub 5} type alloys, partially substituted by other elements. Expansion of the unit cell volume and a larger Ni d band vacancy are beneficial for increasing the amount of the hydrogen storage. XAS and SVET showed that the Ce substitution for La in an AB{sub 5} alloy enhances the lifetime of hydride electrode.

  12. Effect of delivery condition on desorption rate of ZrCo metal hydride bed for fusion fuel cycle

    SciTech Connect

    Kang, H.G.; Yun, S.H.; Chung, D.; Oh, Y.H.; Chang, M.H.; Cho, S.; Chung, H.; Song, K.M.

    2015-03-15

    For the safety of fusion fuel cycle, hydrogen isotope gases including tritium are stored as metal hydride form. To satisfy fueling requirement of fusion machine, rapid delivery from metal hydride bed is one of major factors for the development of tritium storage and delivery system. Desorption from metal hydride depends on the operation scenario by pressure and temperature control of the bed. The effect of operation scenario and pump performance on desorption rate of metal hydride bed was experimentally investigated using ZrCo bed. The results showed that the condition of pre-heating scenario before actual delivery of gas affected the delivery performance. Different pumps were connected to desorption line from bed and the effect of pump capacity on desorption rate were also found to be significant. (authors)

  13. Molecular modeling of the reaction pathway and hydride transfer reactions of HMG-CoA reductase.

    PubMed

    Haines, Brandon E; Steussy, C Nicklaus; Stauffacher, Cynthia V; Wiest, Olaf

    2012-10-01

    HMG-CoA reductase catalyzes the four-electron reduction of HMG-CoA to mevalonate and is an enzyme of considerable biomedical relevance because of the impact of its statin inhibitors on public health. Although the reaction has been studied extensively using X-ray crystallography, there are surprisingly no computational studies that test the mechanistic hypotheses suggested for this complex reaction. Theozyme and quantum mechanical (QM)/molecular mechanical (MM) calculations up to the B3LYP/6-31g(d,p)//B3LYP/6-311++g(2d,2p) level of theory were employed to generate an atomistic description of the enzymatic reaction process and its energy profile. The models generated here predict that the catalytically important Glu83 is protonated prior to hydride transfer and that it acts as the general acid or base in the reaction. With Glu83 protonated, the activation energies calculated for the sequential hydride transfer reactions, 21.8 and 19.3 kcal/mol, are in qualitative agreement with the experimentally determined rate constant for the entire reaction (1 s(-1) to 1 min(-1)). When Glu83 is not protonated, the first hydride transfer reaction is predicted to be disfavored by >20 kcal/mol, and the activation energy is predicted to be higher by >10 kcal/mol. While not involved in the reaction as an acid or base, Lys267 is critical for stabilization of the transition state in forming an oxyanion hole with the protonated Glu83. Molecular dynamics simulations and MM/Poisson-Boltzmann surface area free energy calculations predict that the enzyme active site stabilizes the hemithioacetal intermediate better than the aldehyde intermediate. This suggests a mechanism in which cofactor exchange occurs before the breakdown of the hemithioacetal. Slowing the conversion to aldehyde would provide the enzyme with a mechanism to protect it from solvent and explain why the free aldehyde is not observed experimentally. Our results support the hypothesis that the pK(a) of an active site acidic

  14. Expanding Thorium Hydride Chemistry Through Th²⁺, Including the Synthesis of a Mixed-Valent Th⁴⁺/Th³⁺ Hydride Complex.

    PubMed

    Langeslay, Ryan R; Fieser, Megan E; Ziller, Joseph W; Furche, Filipp; Evans, William J

    2016-03-30

    The reactivity of the recently discovered Th(2+) complex [K(18-crown-6)(THF)2][Cp″3Th], 1 [Cp'' = C5H3(SiMe3)2-1,3], with hydrogen reagents has been investigated and found to provide syntheses of new classes of thorium hydride compounds. Complex 1 reacts with [Et3NH][BPh4] to form the terminal Th(4+) hydride complex Cp″3ThH, 2, a reaction that formally involves a net two-electron reduction. Complex 1 also reacts in the solid state and in solution with H2 to form a mixed-valent bimetallic product, [K(18-crown-6)(Et2O)][Cp″2ThH2]2, 3, which was analyzed by X-ray crystallography, electron paramagnetic resonance and optical spectroscopy, and density functional theory. The existence of 3, which formally contains Th(3+) and Th(4+), suggested that KC8 could reduce [(C5Me5)2ThH2]2. In the presence of 18-crown-6, this reaction forms an analogous mixed-valent product formulated as [K(18-crown-6)(THF)][(C5Me5)2ThH2]2, 4. A similar complex with (C5Me4H)(1-) ligands was not obtained, but reaction of (C5Me4H)3Th with H2 in the presence of KC8 and 2.2.2-cryptand at -45 °C produced two monometallic hydride products, namely, (C5Me4H)3ThH, 5, and [K(2.2.2-cryptand)]{(C5Me4H)2[η(1):η(5)-C5Me3H(CH2)]ThH]}, 6. Complex 6 contains a metalated tetramethylcyclopentadienyl dianion, [C5Me3H(CH2)](2-), that binds in a tuck-in mode. PMID:26977714

  15. Computer automated design and computer automated manufacture.

    PubMed

    Brncick, M

    2000-08-01

    The introduction of computer aided design and computer aided manufacturing into the field of prosthetics and orthotics did not arrive without concern. Many prosthetists feared that the computer would provide other allied health practitioners who had little or no experience in prosthetics the ability to fit and manage amputees. Technicians in the field felt their jobs may be jeopardized by automated fabrication techniques. This has not turned out to be the case. Prosthetists who use CAD-CAM techniques are finding they have more time for patient care and clinical assessment. CAD-CAM is another tool for them to provide better care for the patients/clients they serve. One of the factors that deterred the acceptance of CAD-CAM techniques in its early stages was that of cost. It took a significant investment in software and hardware for the prosthetists to begin to use the new systems. This new technique was not reimbursed by insurance coverage. Practitioners did not have enough information about this new technique to make a sound decision on their investment of time and money. Ironically, it is the need to hold health care costs down that may prove to be the catalyst for the increased use of CAD-CAM in the field. Providing orthoses and prostheses to patients who require them is a very labor intensive process. Practitioners are looking for better, faster, and more economical ways in which to provide their services under the pressure of managed care. CAD-CAM may be the answer. The author foresees shape sensing departments in hospitals where patients would be sent to be digitized, similar to someone going for radiograph or ultrasound. Afterwards, an orthosis or prosthesis could be provided from a central fabrication facility at a remote site, most likely on the same day. Not long ago, highly skilled practitioners with extensive technical ability would custom make almost every orthosis. One now practices in an atmosphere where off-the-shelf orthoses are the standard. This

  16. A Demonstration of Automated DNA Sequencing.

    ERIC Educational Resources Information Center

    Latourelle, Sandra; Seidel-Rogol, Bonnie

    1998-01-01

    Details a simulation that employs a paper-and-pencil model to demonstrate the principles behind automated DNA sequencing. Discusses the advantages of automated sequencing as well as the chemistry of automated DNA sequencing. (DDR)

  17. Robotics/Automated Systems Technicians.

    ERIC Educational Resources Information Center

    Doty, Charles R.

    Major resources exist that can be used to develop or upgrade programs in community colleges and technical institutes that educate robotics/automated systems technicians. The first category of resources is Economic, Social, and Education Issues. The Office of Technology Assessment (OTA) report, "Automation and the Workplace," presents analyses of…

  18. Automated Test-Form Generation

    ERIC Educational Resources Information Center

    van der Linden, Wim J.; Diao, Qi

    2011-01-01

    In automated test assembly (ATA), the methodology of mixed-integer programming is used to select test items from an item bank to meet the specifications for a desired test form and optimize its measurement accuracy. The same methodology can be used to automate the formatting of the set of selected items into the actual test form. Three different…

  19. Opening up Library Automation Software

    ERIC Educational Resources Information Center

    Breeding, Marshall

    2009-01-01

    Throughout the history of library automation, the author has seen a steady advancement toward more open systems. In the early days of library automation, when proprietary systems dominated, the need for standards was paramount since other means of inter-operability and data exchange weren't possible. Today's focus on Application Programming…

  20. Automated Power-Distribution System

    NASA Technical Reports Server (NTRS)

    Ashworth, Barry; Riedesel, Joel; Myers, Chris; Miller, William; Jones, Ellen F.; Freeman, Kenneth; Walsh, Richard; Walls, Bryan K.; Weeks, David J.; Bechtel, Robert T.

    1992-01-01

    Autonomous power-distribution system includes power-control equipment and automation equipment. System automatically schedules connection of power to loads and reconfigures itself when it detects fault. Potential terrestrial applications include optimization of consumption of power in homes, power supplies for autonomous land vehicles and vessels, and power supplies for automated industrial processes.

  1. Automating a clinical management system.

    PubMed

    Gordon, B; Braun, D

    1990-06-01

    Automating the clinical documentation of a home health care agency will prove crucial as the industry continues to grow and becomes increasingly complex. Kimberly Quality Care, a large, multi-office home care company, made a major commitment to the automation of its clinical management documents.

  2. Translation: Aids, Robots, and Automation.

    ERIC Educational Resources Information Center

    Andreyewsky, Alexander

    1981-01-01

    Examines electronic aids to translation both as ways to automate it and as an approach to solve problems resulting from shortage of qualified translators. Describes the limitations of robotic MT (Machine Translation) systems, viewing MAT (Machine-Aided Translation) as the only practical solution and the best vehicle for further automation. (MES)

  3. Progress Toward Automated Cost Estimation

    NASA Technical Reports Server (NTRS)

    Brown, Joseph A.

    1992-01-01

    Report discusses efforts to develop standard system of automated cost estimation (ACE) and computer-aided design (CAD). Advantage of system is time saved and accuracy enhanced by automating extraction of quantities from design drawings, consultation of price lists, and application of cost and markup formulas.

  4. Automated Circulation. SPEC Kit 43.

    ERIC Educational Resources Information Center

    Association of Research Libraries, Washington, DC. Office of Management Studies.

    Of the 64 libraries responding to a 1978 Association of Research Libraries (ARL) survey, 37 indicated that they used automated circulation systems; half of these were commercial systems, and most were batch-process or combination batch process and online. Nearly all libraries without automated systems cited lack of funding as the reason for not…

  5. Fast, quantitative, and nondestructive evaluation of hydrided LWR fuel cladding by small angle incoherent neutron scattering of hydrogen

    NASA Astrophysics Data System (ADS)

    Yan, Y.; Qian, S.; Littrell, K.; Parish, C. M.; Plummer, L. K.

    2015-05-01

    A nondestructive neutron scattering method to precisely measure the uptake of hydrogen and the distribution of hydride precipitates in light water reactor (LWR) fuel cladding was developed. Zircaloy-4 cladding used in commercial LWRs was used to produce hydrided specimens. The hydriding apparatus consists of a closed stainless-steel vessel that contains Zr alloy specimens and hydrogen gas. Following hydrogen charging, the hydrogen content of the hydrided specimens was measured using the vacuum hot extraction method, by which the samples with desired hydrogen concentrations were selected for the neutron study. Optical microscopy shows that our hydriding procedure results in uniform distribution of circumferential hydrides across the wall thickness. Small angle neutron incoherent scattering was performed in the High Flux Isotope Reactor at Oak Ridge National Laboratory. Our study demonstrates that the hydrogen in commercial Zircaloy-4 cladding can be measured very accurately in minutes by this nondestructive method over a wide range of hydrogen concentrations from a very small amount (≈20 ppm) to over 1000 ppm. The hydrogen distribution in a tube sample was obtained by scaling the neutron scattering rate with a factor determined by a calibration process using standard, destructive direct chemical analysis methods on the specimens. This scale factor can be used in future tests with unknown hydrogen concentrations, thus providing a nondestructive method for determining absolute hydrogen concentrations.

  6. Structural and mechanical properties of alkali hydrides investigated by the first-principles calculations and principal component analysis

    NASA Astrophysics Data System (ADS)

    Settouti, Nadera; Aourag, Hafid

    2016-08-01

    The structural and mechanical properties of alkali hydrides (LiH, NaH, KH, RbH, and CsH) were investigated via first-principles calculations which cover the optimized structural parameters. The density functional theory in combination with the generalized gradient approximation (GGA) were used in this study. From the present study, one could note that alkali hydrides are brittle materials and mechanically stable. It was found that stiffness and shear resistance are greater in LiH than in other hydrides. It is more brittle in nature, and comparatively harder than the other materials under study; it also presents a high degree of anisotropy. The results were then investigated and analyzed with principal component analysis (PCA), which is one of the most common techniques in multivariate analysis, was used to explore the correlations among material properties of alkali hydrides and to study their trends. The alkali hydrides obtained by the first-principles calculations were also compared with the alkaline-earth metal hydrides (BeH2, MgH2, CaH2, SrH2, and BaH2) and discussed in this work.

  7. Hydrogen exchange between hydride and methyl ligands in [Cp*Os(dmpm)(CH{sub 3})H{sup +}

    SciTech Connect

    Martin, R.L.

    1999-10-13

    Very recently Gross and Girolami described the first report of a transition metal methyl/hydride complex in which the hydrogens of the alkyl and hydride are exchanging at a rate sufficient to be dynamic on the NMR time scale. The results suggest that an alkane complex L{sub x}M(CH{sub 4}) is formed reversibly from the methyl/hydride complex. This communication reports density functional theory (DFT) calculations on a model of the Os(IV) methyl/hydride studied by Gross and Girolami. A bound methane complex is indeed found which lies {approx} 6 kcal/mol above the methyl/hydride. The theoretical barrier height connecting the two is in good agreement with the experimental kinetic data reported for hydrogen exchange. Once formed, the methane complex can scramble the hydrogen bound to the metal through a lower-lying transition state involving {eta}{sup 2}-H,H coordination to the metal. The larger barrier measured for the reductive elimination of CH{sub 4} may be a measure of the stability of the methyl/hydride.

  8. Fast, quantitative, and nondestructive evaluation of hydrided LWR fuel cladding by small angle incoherent neutron scattering of hydrogen

    SciTech Connect

    Yan, Y.; Qian, S.; Littrell, K.; Parish, C. M.; Plummer, L. K.

    2015-02-13

    A non-destructive neutron scattering method to precisely measure the uptake of hydrogen and the distribution of hydride precipitates in light water reactor (LWR) fuel cladding was developed. Zircaloy-4 cladding used in commercial LWRs was used to produce hydrided specimens. The hydriding apparatus consists of a closed stainless steel vessel that contains Zr alloy specimens and hydrogen gas. Following hydrogen charging, the hydrogen content of the hydrided specimens was measured using the vacuum hot extraction method, by which the samples with desired hydrogen concentration were selected for the neutron study. Optical microscopy shows that our hydriding procedure results in uniform distribution of circumferential hydrides across the wall. Small angle neutron incoherent scattering was performed in the High Flux Isotope Reactor at Oak Ridge National Laboratory. This study demonstrates that the hydrogen in commercial Zircaloy-4 cladding can be measured very accurately in minutes by this nondestructive method over a wide range of hydrogen concentrations from a very small amount ( 20 ppm) to over 1000 ppm. The hydrogen distribution in a tube sample was obtained by scaling the neutron scattering rate with a factor determined by a calibration process using standard, destructive direct chemical analysis methods on the specimens. This scale factor will be used in future tests with unknown hydrogen concentrations, thus providing a nondestructive method for absolute hydrogen concentration determination.

  9. Fast, quantitative, and nondestructive evaluation of hydrided LWR fuel cladding by small angle incoherent neutron scattering of hydrogen

    DOE PAGES

    Yan, Y.; Qian, S.; Littrell, K.; Parish, C. M.; Plummer, L. K.

    2015-02-13

    A non-destructive neutron scattering method to precisely measure the uptake of hydrogen and the distribution of hydride precipitates in light water reactor (LWR) fuel cladding was developed. Zircaloy-4 cladding used in commercial LWRs was used to produce hydrided specimens. The hydriding apparatus consists of a closed stainless steel vessel that contains Zr alloy specimens and hydrogen gas. Following hydrogen charging, the hydrogen content of the hydrided specimens was measured using the vacuum hot extraction method, by which the samples with desired hydrogen concentration were selected for the neutron study. Optical microscopy shows that our hydriding procedure results in uniform distributionmore » of circumferential hydrides across the wall. Small angle neutron incoherent scattering was performed in the High Flux Isotope Reactor at Oak Ridge National Laboratory. This study demonstrates that the hydrogen in commercial Zircaloy-4 cladding can be measured very accurately in minutes by this nondestructive method over a wide range of hydrogen concentrations from a very small amount ( 20 ppm) to over 1000 ppm. The hydrogen distribution in a tube sample was obtained by scaling the neutron scattering rate with a factor determined by a calibration process using standard, destructive direct chemical analysis methods on the specimens. This scale factor will be used in future tests with unknown hydrogen concentrations, thus providing a nondestructive method for absolute hydrogen concentration determination.« less

  10. Automated design of aerospace structures

    NASA Technical Reports Server (NTRS)

    Fulton, R. E.; Mccomb, H. G.

    1974-01-01

    The current state-of-the-art in structural analysis of aerospace vehicles is characterized, automated design technology is discussed, and an indication is given of the future direction of research in analysis and automated design. Representative computer programs for analysis typical of those in routine use in vehicle design activities are described, and results are shown for some selected analysis problems. Recent and planned advances in analysis capability are indicated. Techniques used to automate the more routine aspects of structural design are discussed, and some recently developed automated design computer programs are described. Finally, discussion is presented of early accomplishments in interdisciplinary automated design systems, and some indication of the future thrust of research in this field is given.

  11. Automated Desalting Apparatus

    NASA Technical Reports Server (NTRS)

    Spencer, Maegan K.; Liu, De-Ling; Kanik, Isik; Beegle, Luther

    2010-01-01

    Because salt and metals can mask the signature of a variety of organic molecules (like amino acids) in any given sample, an automated system to purify complex field samples has been created for the analytical techniques of electrospray ionization/ mass spectroscopy (ESI/MS), capillary electrophoresis (CE), and biological assays where unique identification requires at least some processing of complex samples. This development allows for automated sample preparation in the laboratory and analysis of complex samples in the field with multiple types of analytical instruments. Rather than using tedious, exacting protocols for desalting samples by hand, this innovation, called the Automated Sample Processing System (ASPS), takes analytes that have been extracted through high-temperature solvent extraction and introduces them into the desalting column. After 20 minutes, the eluent is produced. This clear liquid can then be directly analyzed by the techniques listed above. The current apparatus including the computer and power supplies is sturdy, has an approximate mass of 10 kg, and a volume of about 20 20 20 cm, and is undergoing further miniaturization. This system currently targets amino acids. For these molecules, a slurry of 1 g cation exchange resin in deionized water is packed into a column of the apparatus. Initial generation of the resin is done by flowing sequentially 2.3 bed volumes of 2N NaOH and 2N HCl (1 mL each) to rinse the resin, followed by .5 mL of deionized water. This makes the pH of the resin near neutral, and eliminates cross sample contamination. Afterward, 2.3 mL of extracted sample is then loaded into the column onto the top of the resin bed. Because the column is packed tightly, the sample can be applied without disturbing the resin bed. This is a vital step needed to ensure that the analytes adhere to the resin. After the sample is drained, oxalic acid (1 mL, pH 1.6-1.8, adjusted with NH4OH) is pumped into the column. Oxalic acid works as a

  12. Automated Analysis Workstation

    NASA Technical Reports Server (NTRS)

    1997-01-01

    Information from NASA Tech Briefs of work done at Langley Research Center and the Jet Propulsion Laboratory assisted DiaSys Corporation in manufacturing their first product, the R/S 2000. Since then, the R/S 2000 and R/S 2003 have followed. Recently, DiaSys released their fourth workstation, the FE-2, which automates the process of making and manipulating wet-mount preparation of fecal concentrates. The time needed to read the sample is decreased, permitting technologists to rapidly spot parasites, ova and cysts, sometimes carried in the lower intestinal tract of humans and animals. Employing the FE-2 is non-invasive, can be performed on an out-patient basis, and quickly provides confirmatory results.

  13. Robust automated knowledge capture.

    SciTech Connect

    Stevens-Adams, Susan Marie; Abbott, Robert G.; Forsythe, James Chris; Trumbo, Michael Christopher Stefan; Haass, Michael Joseph; Hendrickson, Stacey M. Langfitt

    2011-10-01

    This report summarizes research conducted through the Sandia National Laboratories Robust Automated Knowledge Capture Laboratory Directed Research and Development project. The objective of this project was to advance scientific understanding of the influence of individual cognitive attributes on decision making. The project has developed a quantitative model known as RumRunner that has proven effective in predicting the propensity of an individual to shift strategies on the basis of task and experience related parameters. Three separate studies are described which have validated the basic RumRunner model. This work provides a basis for better understanding human decision making in high consequent national security applications, and in particular, the individual characteristics that underlie adaptive thinking.

  14. Protein fabrication automation

    PubMed Central

    Cox, J. Colin; Lape, Janel; Sayed, Mahmood A.; Hellinga, Homme W.

    2007-01-01

    Facile “writing” of DNA fragments that encode entire gene sequences potentially has widespread applications in biological analysis and engineering. Rapid writing of open reading frames (ORFs) for expressed proteins could transform protein engineering and production for protein design, synthetic biology, and structural analysis. Here we present a process, protein fabrication automation (PFA), which facilitates the rapid de novo construction of any desired ORF from oligonucleotides with low effort, high speed, and little human interaction. PFA comprises software for sequence design, data management, and the generation of instruction sets for liquid-handling robotics, a liquid-handling robot, a robust PCR scheme for gene assembly from synthetic oligonucleotides, and a genetic selection system to enrich correctly assembled full-length synthetic ORFs. The process is robust and scalable. PMID:17242375

  15. Automated Defect Classification (ADC)

    1998-01-01

    The ADC Software System is designed to provide semiconductor defect feature analysis and defect classification capabilities. Defect classification is an important software method used by semiconductor wafer manufacturers to automate the analysis of defect data collected by a wide range of microscopy techniques in semiconductor wafer manufacturing today. These microscopies (e.g., optical bright and dark field, scanning electron microscopy, atomic force microscopy, etc.) generate images of anomalies that are induced or otherwise appear on wafermore » surfaces as a result of errant manufacturing processes or simple atmospheric contamination (e.g., airborne particles). This software provides methods for analyzing these images, extracting statistical features from the anomalous regions, and applying supervised classifiers to label the anomalies into user-defined categories.« less

  16. Health care automation companies.

    PubMed

    1995-12-01

    Health care automation companies: card transaction processing/EFT/EDI-capable banks; claims auditing/analysis; claims processors/clearinghouses; coding products/services; computer hardware; computer networking/LAN/WAN; consultants; data processing/outsourcing; digital dictation/transcription; document imaging/optical disk storage; executive information systems; health information networks; hospital/health care information systems; interface engines; laboratory information systems; managed care information systems; patient identification/credit cards; pharmacy information systems; POS terminals; radiology information systems; software--claims related/computer-based patient records/home health care/materials management/supply ordering/physician practice management/translation/utilization review/outcomes; telecommunications products/services; telemedicine/teleradiology; value-added networks. PMID:10153839

  17. Automated Standard Hazard Tool

    NASA Technical Reports Server (NTRS)

    Stebler, Shane

    2014-01-01

    The current system used to generate standard hazard reports is considered cumbersome and iterative. This study defines a structure for this system's process in a clear, algorithmic way so that standard hazard reports and basic hazard analysis may be completed using a centralized, web-based computer application. To accomplish this task, a test server is used to host a prototype of the tool during development. The prototype is configured to easily integrate into NASA's current server systems with minimal alteration. Additionally, the tool is easily updated and provides NASA with a system that may grow to accommodate future requirements and possibly, different applications. Results of this project's success are outlined in positive, subjective reviews complete by payload providers and NASA Safety and Mission Assurance personnel. Ideally, this prototype will increase interest in the concept of standard hazard automation and lead to the full-scale production of a user-ready application.

  18. Expedition automated flow fluorometer

    NASA Astrophysics Data System (ADS)

    Krikun, V. A.; Salyuk, P. A.

    2015-11-01

    This paper describes an apparatus and operation of automated flow-through dual-channel fluorometer for studying the fluorescence of dissolved organic matter, and the fluorescence of phytoplankton cells with open and closed reaction centers in sea areas with oligotrophic and eutrophic water type. The step-by step excitation by two semiconductor lasers or two light-emitting diodes is realized in the current device. The excitation wavelengths are 405nm and 532nm in the default configuration. Excitation radiation of each light source can be changed with different durations, intensities and repetition rate. Registration of the fluorescence signal carried out by two photo-multipliers with different optical filters of 580-600 nm and 680-700 nm band pass diapasons. The configuration of excitation sources and spectral diapasons of registered radiation can be changed due to decided tasks.

  19. Automated external defibrillators (AEDs).

    PubMed

    2003-06-01

    Automated external defibrillators, or AEDs, will automatically analyze a patient's ECG and, if needed, deliver a defibrillating shock to the heart. We sometimes refer to these devices as AED-only devices or stand-alone AEDs. The basic function of AEDs is similar to that of defibrillator/monitors, but AEDs lack their advanced capabilities and generally don't allow manual defibrillation. A device that functions strictly as an AED is intended to be used by basic users only. Such devices are often referred to as public access defibrillators. In this Evaluation, we present our findings for a newly evaluated model, the Zoll AED Plus. We also summarize our findings for the previously evaluated model that is still on the market and describe other AEDs that are also available but that we haven't evaluated. We rate the models collectively for first-responder use and public access defibrillation (PAD) applications.

  20. Health care automation companies.

    PubMed

    1995-12-01

    Health care automation companies: card transaction processing/EFT/EDI-capable banks; claims auditing/analysis; claims processors/clearinghouses; coding products/services; computer hardware; computer networking/LAN/WAN; consultants; data processing/outsourcing; digital dictation/transcription; document imaging/optical disk storage; executive information systems; health information networks; hospital/health care information systems; interface engines; laboratory information systems; managed care information systems; patient identification/credit cards; pharmacy information systems; POS terminals; radiology information systems; software--claims related/computer-based patient records/home health care/materials management/supply ordering/physician practice management/translation/utilization review/outcomes; telecommunications products/services; telemedicine/teleradiology; value-added networks.

  1. [From automation to robotics].

    PubMed

    1985-01-01

    The introduction of automation into the laboratory of biology seems to be unavoidable. But at which cost, if it is necessary to purchase a new machine for every new application? Fortunately the same image processing techniques, belonging to a theoretic framework called Mathematical Morphology, may be used in visual inspection tasks, both in car industry and in the biology lab. Since the market for industrial robotics applications is much higher than the market of biomedical applications, the price of image processing devices drops, and becomes sometimes less than the price of a complete microscope equipment. The power of the image processing methods of Mathematical Morphology will be illustrated by various examples, as automatic silver grain counting in autoradiography, determination of HLA genotype, electrophoretic gels analysis, automatic screening of cervical smears... Thus several heterogeneous applications may share the same image processing device, provided there is a separate and devoted work station for each of them.

  2. Berkeley automated supernova search

    SciTech Connect

    Kare, J.T.; Pennypacker, C.R.; Muller, R.A.; Mast, T.S.; Crawford, F.S.; Burns, M.S.

    1981-01-01

    The Berkeley automated supernova search employs a computer controlled 36-inch telescope and charge coupled device (CCD) detector to image 2500 galaxies per night. A dedicated minicomputer compares each galaxy image with stored reference data to identify supernovae in real time. The threshold for detection is m/sub v/ = 18.8. We plan to monitor roughly 500 galaxies in Virgo and closer every night, and an additional 6000 galaxies out to 70 Mpc on a three night cycle. This should yield very early detection of several supernovae per year for detailed study, and reliable premaximum detection of roughly 100 supernovae per year for statistical studies. The search should be operational in mid-1982.

  3. Automating Frame Analysis

    SciTech Connect

    Sanfilippo, Antonio P.; Franklin, Lyndsey; Tratz, Stephen C.; Danielson, Gary R.; Mileson, Nicholas D.; Riensche, Roderick M.; McGrath, Liam

    2008-04-01

    Frame Analysis has come to play an increasingly stronger role in the study of social movements in Sociology and Political Science. While significant steps have been made in providing a theory of frames and framing, a systematic characterization of the frame concept is still largely lacking and there are no rec-ognized criteria and methods that can be used to identify and marshal frame evi-dence reliably and in a time and cost effective manner. Consequently, current Frame Analysis work is still too reliant on manual annotation and subjective inter-pretation. The goal of this paper is to present an approach to the representation, acquisition and analysis of frame evidence which leverages Content Analysis, In-formation Extraction and Semantic Search methods to provide a systematic treat-ment of a Frame Analysis and automate frame annotation.

  4. Protein fabrication automation.

    PubMed

    Cox, J Colin; Lape, Janel; Sayed, Mahmood A; Hellinga, Homme W

    2007-03-01

    Facile "writing" of DNA fragments that encode entire gene sequences potentially has widespread applications in biological analysis and engineering. Rapid writing of open reading frames (ORFs) for expressed proteins could transform protein engineering and production for protein design, synthetic biology, and structural analysis. Here we present a process, protein fabrication automation (PFA), which facilitates the rapid de novo construction of any desired ORF from oligonucleotides with low effort, high speed, and little human interaction. PFA comprises software for sequence design, data management, and the generation of instruction sets for liquid-handling robotics, a liquid-handling robot, a robust PCR scheme for gene assembly from synthetic oligonucleotides, and a genetic selection system to enrich correctly assembled full-length synthetic ORFs. The process is robust and scalable.

  5. Automated calorimeter testing system

    SciTech Connect

    Rodenburg, W.W.; James, S.J.

    1990-01-01

    The Automated Calorimeter Testing System (ACTS) is a portable measurement device that provides an independent measurement of all critical parameters of a calorimeter system. The ACTS was developed to improve productivity and performance of Mound-produced calorimeters. With ACTS, an individual with minimal understanding of calorimetry operation can perform a consistent set of diagnostic measurements on the system. The operator can identify components whose performance has deteriorated by a simple visual comparison of the current data plots with previous measurements made when the system was performing properly. Thus, downtime and out of control'' situations can be reduced. Should a system malfunction occur, a flowchart of troubleshooting procedures has been developed to facilitate quick identification of the malfunctioning component. If diagnosis is beyond the capability of the operator, the ACTS provides a consistent set of test data for review by a knowledgeable expert. The first field test was conducted at the Westinghouse Savannah River Site in early 1990. 6 figs.

  6. Automated attendance accounting system

    NASA Technical Reports Server (NTRS)

    Chapman, C. P. (Inventor)

    1973-01-01

    An automated accounting system useful for applying data to a computer from any or all of a multiplicity of data terminals is disclosed. The system essentially includes a preselected number of data terminals which are each adapted to convert data words of decimal form to another form, i.e., binary, usable with the computer. Each data terminal may take the form of a keyboard unit having a number of depressable buttons or switches corresponding to selected data digits and/or function digits. A bank of data buffers, one of which is associated with each data terminal, is provided as a temporary storage. Data from the terminals is applied to the data buffers on a digit by digit basis for transfer via a multiplexer to the computer.

  7. Automated Defect Classification (ADC)

    SciTech Connect

    1998-01-01

    The ADC Software System is designed to provide semiconductor defect feature analysis and defect classification capabilities. Defect classification is an important software method used by semiconductor wafer manufacturers to automate the analysis of defect data collected by a wide range of microscopy techniques in semiconductor wafer manufacturing today. These microscopies (e.g., optical bright and dark field, scanning electron microscopy, atomic force microscopy, etc.) generate images of anomalies that are induced or otherwise appear on wafer surfaces as a result of errant manufacturing processes or simple atmospheric contamination (e.g., airborne particles). This software provides methods for analyzing these images, extracting statistical features from the anomalous regions, and applying supervised classifiers to label the anomalies into user-defined categories.

  8. Automating the multiprocessing environment

    NASA Technical Reports Server (NTRS)

    Arpasi, Dale J.

    1989-01-01

    An approach to automate the programming and operation of tree-structured networks of multiprocessor systems is discussed. A conceptual, knowledge-based operating environment is presented, and requirements for two major technology elements are identified as follows: (1) An intelligent information translator is proposed for implementating information transfer between dissimilar hardware and software, thereby enabling independent and modular development of future systems and promoting a language-independence of codes and information; (2) A resident system activity manager, which recognizes the systems capabilities and monitors the status of all systems within the environment, is proposed for integrating dissimilar systems into effective parallel processing resources to optimally meet user needs. Finally, key computational capabilities which must be provided before the environment can be realized are identified.

  9. Technical challenges and future direction for high-efficiency metal hydride thermal energy storage systems

    NASA Astrophysics Data System (ADS)

    Ward, Patrick A.; Corgnale, Claudio; Teprovich, Joseph A.; Motyka, Theodore; Hardy, Bruce; Sheppard, Drew; Buckley, Craig; Zidan, Ragaiy

    2016-04-01

    Recently, there has been increasing interest in thermal energy storage (TES) systems for concentrated solar power (CSP) plants, which allow for continuous operation when sunlight is unavailable. Thermochemical energy storage materials have the advantage of much higher energy densities than latent or sensible heat materials. Furthermore, thermochemical energy storage systems based on metal hydrides have been gaining great interest for having the advantage of higher energy densities, better reversibility, and high enthalpies. However, in order to achieve higher efficiencies desired of a thermal storage system by the US Department of Energy, the system is required to operate at temperatures >600 °C. Operation at temperatures >600 °C presents challenges including material selection, hydrogen embrittlement and permeation of containment vessels, appropriate selection of heat transfer fluids, and cost. Herein, the technical difficulties and proposed solutions associated with the use of metal hydrides as TES materials in CSP applications are discussed and evaluated.

  10. Positive ions of the first- and second-row transition metal hydrides

    NASA Technical Reports Server (NTRS)

    Pettersson, Lars G. M.; Bauschlicher, Charles W., Jr.; Langhoff, Stephen R.; Partridge, Harry

    1987-01-01

    Theoretical dissociation energies for the first- and second-row transition metal hydride positive ions are critically compared against recent experimental values obtained from ion beam reactive scattering methods. Theoretical spectroscopic parameters and dipole moments are presented for the ground and several low-lying excited states. The calculations employ large Gaussian basis sets and account for electron correlation using the single-reference single- and double-excitation configuration interaction and coupled-pair-functional methods. The Darwin and mass-velocity contributions to the relativistic energy are included in the all-electron calculations on the first-row systems using first-order perturbation theory, and in the second-row systems using the Hay and Wadt relativistic effective core potentials. The theoretical D(0) values for the second-row transition metal hydride positive ions should provide a critical measure of the experimental values, which are not as refined as many of those in the first transition row.

  11. Use of Solid Hydride Fuel for Improved long-Life LWR Core Designs

    SciTech Connect

    Greenspan, E

    2006-04-30

    The primary objective of this project was to assess the feasibility of improving the performance of PWR and BWR cores by using solid hydride fuels instead of the commonly used oxide fuel. The primary measure of performance considered is the bus-bar cost of electricity (COE). Additional performance measures considered are safety, fuel bundle design simplicity – in particular for BWR’s, and plutonium incineration capability. It was found that hydride fuel can safely operate in PWR’s and BWR’s without restricting the linear heat generation rate of these reactors relative to that attainable with oxide fuel. A couple of promising applications of hydride fuel in PWR’s and BWR’s were identified: (1) Eliminating dedicated water moderator volumes in BWR cores thus enabling to significantly increase the cooled fuel rods surface area as well as the coolant flow cross section area in a given volume fuel bundle while significantly reducing the heterogeneity of BWR fuel bundles thus achieving flatter pin-by-pin power distribution. The net result is a possibility to significantly increase the core power density – on the order of 30% and, possibly, more, while greatly simplifying the fuel bundle design. Implementation of the above modifications is, though, not straightforward; it requires a design of completely different control system that could probably be implemented only in newly designed plants. It also requires increasing the coolant pressure drop across the core. (2) Recycling plutonium in PWR’s more effectively than is possible with oxide fuel by virtue of a couple of unique features of hydride fuel – reduced inventory of U-238 and increased inventory of hydrogen. As a result, the hydride fuelled core achieves nearly double the average discharge burnup and the fraction of the loaded Pu it incinerates in one pass is double that of the MOX fuel. The fissile fraction of the Pu in the discharged hydride fuel is only ~2/3 that of the MOX fuel and the

  12. Possible "Magnéli" Phases and Self-Alloying in the Superconducting Sulfur Hydride.

    PubMed

    Akashi, Ryosuke; Sano, Wataru; Arita, Ryotaro; Tsuneyuki, Shinji

    2016-08-12

    We theoretically give an infinite number of metastable crystal structures for the superconducting sulfur hydride H_{x}S under pressure. Previously predicted crystalline phases of H_{2}S and H_{3}S have been thought to have important roles for experimentally observed low and high T_{c}, respectively. The newly found structures are long-period modulated crystals where slablike H_{2}S and H_{3}S regions intergrow on a microscopic scale. The extremely small formation enthalpy for the H_{2}S-H_{3}S boundary indicated by first-principles calculations suggests possible alloying of these phases through the formation of local H_{3}S regions. The modulated structures and gradual alloying transformations between them not only explain the peculiar pressure dependence of T_{c} in sulfur hydride observed experimentally, but also could prevail in the experimental samples under various compression schemes. PMID:27563975

  13. Using magnetization measurements to detect small amounts of plutonium hydride formation in plutonium metal

    SciTech Connect

    Kim, Jae Wook; Mielke, Charles H.; Zapf, Vivien; Baiardo, Joseph P.; Mitchell, Jeremy N.; Richmond, Scott; Schwartz, Daniel S.; Mun, Eun D.; Smith, Alice Iulia

    2014-10-20

    We report the formation of plutonium hydride in 2 at % Ga-stabilized δ-Pu, with 1 atomic % H charging. We show that magnetization measurements are a sensitive, quantitative measure of ferromagnetic plutonium hydride against the nonmagnetic background of plutonium. It was previously shown that at low hydrogen concentrations, hydrogen forms super-abundant vacancy complexes with plutonium, resulting in a bulk lattice contraction. Here we use magnetization, X-ray and neutron diffraction measurements to show that in addition to forming vacancy complexes, at least 30% of the H atoms bond with Pu to precipitate PuHx, largely on the surface of the sample with x ~ 1.9. We observe magnetic hysteresis loops below 40 K with magnetic remanence, consistent with precipitates of ferromagnetic PuH1.9.

  14. High-pressure chemistry of hydrogen in metals: in situ study of iron hydride.

    PubMed

    Badding, J V; Hemley, R J; Mao, H K

    1991-07-26

    Optical observations and x-ray diffraction measurements of the reaction between iron and hydrogen at high pressure to form iron hydride are described. The reaction is associated with a sudden pressure-induced expansion at 3.5 gigapascals of iron samples immersed in fluid hydrogen. Synchrotron x-ray diffraction measurements carried out to 62 gigapascals demonstrate that iron hydride has a double hexagonal close-packed structure, a cell volume up to 17% larger than pure iron, and a stoichiometry close to FeH. These results greatly extend the pressure range over which the technologically important iron-hydrogen phase diagram has been characterized and have implications for problems ranging from hydrogen degradation and embrittlement of ferrous metals to the presence of hydrogen in Earth's metallic core.

  15. Methods of mathematical statistics for verification of hydrogen content in zirconium hydride moderator

    SciTech Connect

    Ponomarev-Stepnoi, N.N.; Bubelev, V.G.; Glushkov, Ye.S.; Kompaniets, G.V.; Nosov, V.I. )

    1995-02-01

    The hydrogen content of zirconium hydride blocks used as the moderator in Topaz-2-type space reactors is estimated according to correlation-regression analysis procedures of mathematical statistics and is based on the results of the definition of the reactivity of the blocks in a research critical assembly. A linear mathematical model for a variable response is formulated within the framework of the first-order perturbation theory applied to the estimation of reactivity effects in reactors. A PASPORT computer code is written based on the developed algorithm. The statistical analysis of the available data performed by using PASPORT shows that the developed approach allows determination of the insignificance of the contribution of the impurities to the reactivity of the blocks, verification of the manufacturer's data on the hydrogen content in zirconium hydride blocks, and estimation of the reactivity shift in a standard block.

  16. Computational study of alkynes insertion into metal-hydride bonds catalyzed by bimetallic complexes.

    PubMed

    Di Tommaso, Stefania; Tognetti, Vincent; Sicilia, Emilia; Adamo, Carlo; Russo, Nino

    2010-11-01

    Density Functional Theory investigations on the insertion mechanism of phenylacetylene into metal-hydride bonds in bimetallic (Pt,Os) catalysts have been carried out. The results obtained have been also compared with the non-reactive monometallic (Os-based) system, to elucidate the cooperative effects and to explain the observed absence of reactivity. The identified reaction path involves phenylacetylene coordination followed by the insertion into the metal-hydride bond, leading to the formation of the experimentally observed products. Both steps do not require large energies compatible with the experimental conditions. The comparison with the reaction path for the monometallic species gives some hints on the cooperative effects due to the presence of the second metal which is related to its role in the CO release for creating a coordination site for phenylacetylene and not in the insertion energetics. The calculations provide a detailed analysis of the reaction complexity and provide a rationale for the efficiency of the process. PMID:20883042

  17. Development of a modular room-temperature hydride storage system for vehicular applications

    NASA Astrophysics Data System (ADS)

    Capurso, Giovanni; Schiavo, Benedetto; Jepsen, Julian; Lozano, Gustavo; Metz, Oliver; Saccone, Adriana; De Negri, Serena; Bellosta von Colbe, José M.; Klassen, Thomas; Dornheim, Martin

    2016-03-01

    The subject of this paper concerns the development of a vehicular hydrogen tank system, using a commercial interstitial metal hydride as storage material. The design of the tank was intended to feed a fuel cell in a light prototype vehicle, and the chosen hydride material, Hydralloy C5 by GfE, was expected to be able to absorb and desorb hydrogen in a range of pressure suitable for this purpose. A systematic analysis of the material in laboratory scale allows an extrapolation of the thermodynamic and reaction kinetics data. The following development of the modular tank was done according to the requirements of the prototype vehicle propulsion system and led to promising intermediate results. The modular approach granted flexibility in the design, allowing both to reach carefully the design goals and to learn the limiting factors in the sorption process. Proper heat management and suitable equipment remain key factors in order to achieve the best performances.

  18. High Resolution Neutron Radiography and Tomography of Hydrided Zircaloy-4 Cladding Materials

    SciTech Connect

    Smith, Tyler S; Bilheux, Hassina Z; Ray, Holly B; Bilheux, Jean-Christophe; Yan, Yong

    2015-01-01

    Neutron radiography for hydrogen analysis was performed with several Zircaloy-4 cladding samples with controlled hydrogen concentrations up to 1100 ppm. Hydrogen charging was performed in a process tube that was heated to facilitate hydrogen absorption by the metal. A correlation between the hydrogen concentration in the hydrided tubes and the neutron intensity was established, by which hydrogen content can be determined precisely in a small area (55 m x 55 m). Radiography analysis was also performed to evaluate the heating rate and its correlation with the hydrogen distribution through hydrided materials. In addition to radiography analysis, tomography experiments were performed on Zircaloy-4 tube samples to study the local hydrogen distribution. Through tomography analysis a 3D reconstruction of the tube was evaluated in which an uneven hydrogen distribution in the circumferential direction can be observed.

  19. Incoherent Quasielastic Neutron Scattering study of hydrogen diffusion in thorium-zirconium hydrides

    NASA Astrophysics Data System (ADS)

    Terrani, Kurt A.; Mamontov, Eugene; Balooch, Mehdi; Olander, Donald R.

    2010-06-01

    Monophase thorium-zirconium hydrides (ThZr 2H x) have been fabricated starting from a metallic alloy and the hydrogen stoichiometry determined by X-ray diffraction. Incoherent Quasielastic Neutron Scattering (IQNS) on the hydrides was conducted over the temperature range 650-750 K at the Backscattering Silicon Spectrometer (BASIS) at the Spallation Neutron Source (SNS) at ORNL. The isotropic Chudley-Elliott model was utilized to analyze the quasielastic linewidth broadening data as function of momentum transfer. The diffusion coefficient and average jump distance of hydrogen atoms in ThZr 2H 5.6 and ThZr 2H 6.2 were extracted from the measurements.

  20. Method to predict relative hydriding within a group of zirconium alloys under nuclear irradiation

    DOEpatents

    Johnson, A.B. Jr.; Levy, I.S.; Trimble, D.J.; Lanning, D.D.; Gerber, F.S.

    1990-04-10

    An out-of-reactor method for screening to predict relative in-reactor hydriding behavior of zirconium-based materials is disclosed. Samples of zirconium-based materials having different compositions and/or fabrication methods are autoclaved in a relatively concentrated (0.3 to 1.0M) aqueous lithium hydroxide solution at constant temperatures within the water reactor coolant temperature range (280 to 316 C). Samples tested by this out-of-reactor procedure, when compared on the basis of the ratio of hydrogen weight gain to oxide weight gain, accurately predict the relative rate of hydriding for the same materials when subject to in-reactor (irradiated) corrosion. 1 figure.