Sample records for barium hydrides

  1. High H- ionic conductivity in barium hydride (United States)

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


    With hydrogen being seen as a key renewable energy vector, the search for materials exhibiting fast hydrogen transport becomes ever more important. Not only do hydrogen storage materials require high mobility of hydrogen in the solid state, but the efficiency of electrochemical devices is also largely determined by fast ionic transport. Although the heavy alkaline-earth hydrides are of limited interest for their hydrogen storage potential, owing to low gravimetric densities, their ionic nature may prove useful in new electrochemical applications, especially as an ionically conducting electrolyte material. Here we show that barium hydride shows fast pure ionic transport of hydride ions (H-) in the high-temperature, high-symmetry phase. Although some conductivity studies have been reported on related materials previously, the nature of the charge carriers has not been determined. BaH2 gives rise to hydride ion conductivity of 0.2 S cm-1 at 630 °C. This is an order of magnitude larger than that of state-of-the-art proton-conducting perovskites or oxide ion conductors at this temperature. These results suggest that the alkaline-earth hydrides form an important new family of materials, with potential use in a number of applications, such as separation membranes, electrochemical reactors and so on.

  2. Spectroscopy of Ba and Ba$^+$ deposits in solid xenon for barium tagging in nEXO


    Mong, B.; Cook, S; Walton, T.; Chambers, C.; Craycraft, A.; Benitez-Medina, C.; Hall, K.; Fairbank Jr., W.; Albert, J. B.; Auty, D. J.; Barbeau, P. S.; Basque, V.; Beck, D.; Breidenbach, M.; Brunner, T.


    Progress on a method of barium tagging for the nEXO double beta decay experiment is reported. Absorption and emission spectra for deposits of barium atoms and ions in solid xenon matrices are presented. Excitation spectra for prominent emission lines, temperature dependence and bleaching of the fluorescence reveal the existence of different matrix sites. A regular series of sharp lines observed in Ba$^+$ deposits is identified with some type of barium hydride molecule. Lower limits for the fl...

  3. Boron Hydrides (United States)


    of direct interest could be b.P.4d. ’Thus the discovory of a now proj.ect, since silano is probably too readily infla-zmablo for practical usc’ this...devoted, ho specc4fie compounds vhitih a’-ould be tocdte at prescnt arc: nron tiy * silano , %;2.SiFi3 , diothyl sila~no, (C2 115 )2 Si112, mono r.-rop; ! (n...Bcrohydrido or Li h.... I .A-4A- The prepuation of Silano med of Stannane by the interaction or lithium aluzirun hydride v-ithl silicon tetrtchiorido and

  4. Advanced Hydride Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Motyka, T.


    Metal hydrides have been used at the Savannah River Tritium Facilities since 1984. However, the most extensive application of metal hydride technology at the Savannah River Site is being planned for the Replacement Tritium Facility, a $140 million facility schedules for completion in 1990 and startup in 1991. In the new facility, metal hydride technology will be used to store, separate, isotopically purify, pump, and compress hydrogen isotopes. In support of the Replacement Tritium Facility, a $3.2 million, cold,'' process demonstration facility, the Advanced Hydride Laboratory began operation in November of 1987. The purpose of the Advanced Hydride Laboratory is to demonstrate the Replacement Tritium Facility's metal hydride technology by integrating the various unit operations into an overall process. This paper will describe the Advanced Hydride Laboratory, its role and its impact on the application of metal hydride technology to tritium handling.

  5. Advanced Hydride Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Motyka, T.


    Metal hydrides have been used at the Savannah River Tritium Facilities since 1984. However, the most extensive application of metal hydride technology at the Savannah River Site is being planned for the Replacement Tritium Facility, a $140 million facility schedules for completion in 1990 and startup in 1991. In the new facility, metal hydride technology will be used to store, separate, isotopically purify, pump, and compress hydrogen isotopes. In support of the Replacement Tritium Facility, a $3.2 million, ``cold,`` process demonstration facility, the Advanced Hydride Laboratory began operation in November of 1987. The purpose of the Advanced Hydride Laboratory is to demonstrate the Replacement Tritium Facility`s metal hydride technology by integrating the various unit operations into an overall process. This paper will describe the Advanced Hydride Laboratory, its role and its impact on the application of metal hydride technology to tritium handling.

  6. Barium periostitis: an intraoral complication following barium swallow. (United States)

    Stanton, David C; Seeger, Douglas; Robinson, Brian T


    Barium is used with great frequency for various gastrointestinal radiographic studies. Complications arising from the use of barium are uncommon and can range from peritonitis, pneumonitis, vascular intravasation, allergic reactions, and even "barium appendicitis." We report a case of an unusual complication, periostitis, from the use of barium in a 46-year-old male.

  7. Synthesis of ruthenium hydride (United States)

    Kuzovnikov, M. A.; Tkacz, M.


    Ruthenium hydride was synthesized at a hydrogen pressure of about 14 GPa in a diamond-anvil cell. Energy-dispersive x-ray diffraction was used to monitor the ruthenium crystal structure as a function of hydrogen pressure up to 30 GPa. The hydride formation was accompanied by phase transition from the original hcp structure of the pristine metal to the fcc structure. Our results confirmed the theoretical prediction of ruthenium hydride formation under hydrogen pressure. The standard Gibbs free energy of the ruthenium hydride formation reaction was calculated assuming the pressure of decomposition as the equilibrium pressure.

  8. Hysteresis in Metal Hydrides. (United States)

    Flanagan, Ted B., And Others


    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)

  9. Regenerative Hydride Heat Pump (United States)

    Jones, Jack A.


    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.

  10. Controlling barium sulfate

    Energy Technology Data Exchange (ETDEWEB)

    Greenley, R.

    Even though for several years success has been realized in controlling barium sulfate scale deposition in relatively shallow, low pressure oil wells--by squeezing an organic phosphonate scale inhibitor into the producing zone--barium sulfate scale depositon in deep, high pressure/high temperature wells usually meant an expensive workover operation. A case history of a deep (16,000 ft) well in St. Mary Parish, Louisiana, and the scale inhibitor squeeze operation are described. Based on the successful results obtained in treating this well, a generalized treating procedure for combating downhole scale deposition in high pressure/high temperature gas wells is presented. Formation squeezing with such an inhibitor represents a significant breakthrough for the oil and gas industry.

  11. Lightweight hydride storage materials

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, G.J.; Guthrie, S.E.; Bauer, W. [Sandia National Labs., Livermore, CA (United States)


    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.

  12. Spectroscopy of Ba and Ba$^+$ deposits in solid xenon for barium tagging in nEXO

    CERN Document Server

    Mong, B; Walton, T; Chambers, C; Craycraft, A; Benitez-Medina, C; Hall, K; Fairbank, W; Albert, J B; Auty, D J; Barbeau, P S; Basque, V; Beck, D; Breidenbach, M; Brunner, T; Cao, G F; Cleveland, B; Coon, M; Daniels, T; Daugherty, S J; DeVoe, R; Didberidze, T; Dilling, J; Dolinski, M J; Dunford, M; Fabris, L; Farine, J; Feldmeier, W; Fierlinger, P; Fudenberg, D; Giroux, G; Gornea, R; Graham, K; Gratta, G; Heffner, M; Hughes, M; Jiang, X S; Johnson, T N; Johnston, S; Karelin, A; Kaufman, L J; Killick, R; Koffas, T; Kravitz, S; Krucken, R; Kuchenkov, A; Kumar, K S; Leonard, D S; Licciardi, C; Lin, Y H; Ling, J; MacLellan, R; Marino, M G; Moore, D; Odian, A; Ostrovskiy, I; Piepke, A; Pocar, A; Retiere, F; Rowson, P C; Rozo, M P; Schubert, A; Sinclair, D; Smith, E; Stekhanov, V; Tarka, M; Tolba, T; Twelker, K; Vuilleumier, J -L; Walton, J; Weber, M; Wen, L J; Wichoski, U; Yang, L; Yen, Y -R; Zhao, Y B


    Progress on a method of barium tagging for the nEXO double beta decay experiment is reported. Absorption and emission spectra for deposits of barium atoms and ions in solid xenon matrices are presented. Excitation spectra for prominent emission lines, temperature dependence and bleaching of the fluorescence reveal the existence of different matrix sites. A regular series of sharp lines observed in Ba$^+$ deposits is identified with some type of barium hydride molecule. Lower limits for the fluorescence quantum efficiency of the principal Ba emission transition are reported. Under current conditions, an image of $\\le10^4$ Ba atoms can be obtained. Prospects for imaging single Ba atoms in solid xenon are discussed.

  13. On barium oxide solubility in barium-containing chloride melts

    Energy Technology Data Exchange (ETDEWEB)

    Nikolaeva, Elena V.; Zakiryanova, Irina D.; Bovet, Andrey L.; Korzun, Iraida V. [Ural Federal Univ., Yekaterinburg (Russian Federation). Inst. of High Temperature Electrochemistry


    Oxide solubility in chloride melts depends on temperature and composition of molten solvent. The solubility of barium oxide in the solvents with barium chloride content is essentially higher than that in molten alkali chlorides. Spectral data demonstrate the existence of oxychloride ionic groupings in such melts. This work presents the results of the BaO solubility in two molten BaCl{sub 2}-NaCl systems with different barium chloride content. The received data together with earlier published results revealed the main regularities of BaO solubility in molten BaO-BaCl{sub 2}-MCl systems.

  14. MR Colonography with fecal tagging: Barium vs. barium ferumoxsil

    DEFF Research Database (Denmark)

    Achiam, M.P.; Chabanova, E.; Logager, V.B.;


    and Methods. Twenty patients referred to CC underwent dark lumen MRC prior to the colonoscopy. Two groups of patients received two different oral contrast agents (barium sulfate and barium sulfate/ferumoxsil) as a laxative-free fecal tagging prior to the MRC. After MRC, the contrast agent was rated...... qualitatively (with the standard method using contrast-to-wall ratio) and subjectively (using a visual analog scale [VAS]) by three different blinded observers. Results. Evaluated both qualitatively and subjectively, the tagging efficiency of barium sulfate/ferumoxsil was significantly better (P ... barium sulfate alone. The VAS method for evaluating the tagging efficiency of contrast agents showed a high correlation (observer 11, r = 0.91) to the standard method using contrast-to-wall ratio and also a high interclass correlation (observer 11 and III = 0.89/0.85). MRC found I of 22 (5%) polyps

  15. Doped barium titanate nanoparticles

    Indian Academy of Sciences (India)

    T K Kundu; A Jana; P Barik


    We have synthesized nickel (Ni) and iron (Fe) ion doped BaTiO3 nanoparticles through a chemical route using polyvinyl alcohol (PVA). The concentration of dopant varies from 0 to 2 mole% in the specimens. The results from X-ray diffractograms and transmission electron micrographs show that the particle diameters in the specimen lie in the range 24–40 nm. It is seen that the dielectric permittivity in doped specimens is enhanced by an order of magnitude compared to undoped barium titanate ceramics. The dielectric permittivity shows maxima at 0.3 mole% doping of Fe ion and 0.6 mole% of Ni ion. The unusual dielectric behaviour of the specimens is explained in terms of the change in crystalline structure of the specimens.

  16. Air and metal hydride battery

    Energy Technology Data Exchange (ETDEWEB)

    Lampinen, M.; Noponen, T. [Helsinki Univ. of Technology, Otaniemi (Finland). Lab. of Applied Thermodynamics


    The main goal of the air and metal hydride battery project was to enhance the performance and manufacturing technology of both electrodes to such a degree that an air-metal hydride battery could become a commercially and technically competitive power source for electric vehicles. By the end of the project it was possible to demonstrate the very first prototype of the air-metal hydride battery at EV scale, achieving all the required design parameters. (orig.)

  17. Hydrogen Outgassing from Lithium Hydride

    Energy Technology Data Exchange (ETDEWEB)

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


    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.

  18. 75 FR 33824 - Barium Chloride From China (United States)


    ... COMMISSION Barium Chloride From China Determination On the basis of the record\\1\\ developed in the subject... order on barium chloride from China would be likely to lead to continuation or recurrence of material... Barium Chloride from China: Investigation No. 731-TA-149 (Third Review). By order of the...

  19. Erbium hydride decomposition kinetics.

    Energy Technology Data Exchange (ETDEWEB)

    Ferrizz, Robert Matthew


    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.

  20. Hydride development for hydrogen storage

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, G.J.; Guthrie, S.E.; Bauer, W.; Yang, N.Y.C. [Sandia National Lab., Livermore, CA (United States); Sandrock, G. [SunaTech, Inc., Ringwood, NJ (United States)


    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.

  1. Metal hydride air conditioner

    Institute of Scientific and Technical Information of China (English)

    YANG; Ke; DU; Ping; LU; Man-qi


    The relationship among the hydrogen storage properties, cycling characteristics and thermal parameters of the metal hydride air conditioning systems was investigated. Based on a new alloy selection model, three pairs of hydrogen storage alloys, LaNi4.4 Mn0.26 Al0.34 / La0.6 Nd0.4 Ni4.8 Mn0.2 Cu0. 1, LaNi4.61Mn0. 26 Al0.13/La0.6 Nd0.4 Ni4.8 Mn0.2 Cu0. 1 and LaNi4.61 Mn0.26 Al0.13/La0.6 Y0.4 Ni4.8 Mn0. 2, were selected as the working materials for the metal hydride air conditioning system. Studies on the factors affecting the COP of the system showed that higher COP and available hydrogen content need the proper operating temperature and cycling time,large hydrogen storage capacity, flat plateau and small hysterisis of hydrogen alloys, proper original input hydrogen content and mass ratio of the pair of alloys. It also needs small conditioning system was established by using LaNi4.61 Mn0.26 Al0. 13/La0.6 Y0.4 Ni4.8 Mn0.2 alloys as the working materials, which showed that under the operating temperature of 180℃/40℃, a low temperature of 13℃ was reached, with COP =0.38 and Wnet =0.09 kW/kg.

  2. Geoneutrino and Hydridic Earth model

    CERN Document Server

    Bezrukov, Leonid


    Uranium, Thorium and Potassium-40 abundances in the Earth were calculated in the frame of Hydridic Earth model. Terrestrial heat producton from U, Th and K40 decays was calculated also. We must admit the existance of Earth expansion process to understand the obtained large value of terrestrial heat producton. The geoneutrino detector with volume more than 5 kT (LENA type) must be constructed to definitely separate between Bulk Silicat Earth model and Hydridic Earth model.

  3. Physics of hydride fueled PWR (United States)

    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.

  4. A New Reducing Regent: Dichloroindium Hydride

    Institute of Scientific and Technical Information of China (English)



    @@ 1Introduction Among the hydride derivatives of group 13 elements, various types of aluminum hydrides and boron hydrides have been employed as powerful reduction tools. Indium hydrides have not received much attention,whereas the synthesis of indium trihydride (InH3) was reported several decades ago[1]. There have been no precedents for monometallic indium hydrides having practical reactivity, while activated hydrides such as an ate complex LiPhn InH4-n (n = 0- 2) and phosphine-coordinated indium hydrides readily reduce carbonyl compounds. In view of this background, we focused on the development of dichloroindium hydrides (Cl2InH) as novel reducing agents that bear characteristic features in both ionic and radical reactions.

  5. Hydride Olefin complexes of tantalum and niobium

    NARCIS (Netherlands)

    Klazinga, Aan Hendrik


    This thesis describes investigations on low-valent tantalum and niobium hydride and alkyl complexes, particularly the dicyclopentadienyl tantalum hydride olefin complexes Cp2Ta(H)L (L=olefin). ... Zie: Summary

  6. Complex and liquid hydrides for energy storage

    Energy Technology Data Exchange (ETDEWEB)

    Callini, Elsa; Atakli, Zuleyha Özlem Kocabas; Hauback, Bjørn C.; Orimo, Shin-ichi; Jensen, Craig; Dornheim, Martin; Grant, David; Cho, Young Whan; Chen, Ping; Hjörvarsson, Bjørgvin; de Jongh, Petra; Weidenthaler, Claudia; Baricco, Marcello; Paskevicius, Mark; Jensen, Torben R.; Bowden, Mark E.; Autrey, Thomas S.; Züttel, Andreas


    The research on complex hydrides for hydrogen storage was imitated by the discovery of Ti as a hydrogen sorption catalyst in NaAlH4 by Boris Bogdanovic in 1996. A large number of new complex hydride materials in various forms and combinations have been synthesized and characterized and the knowledge on the properties of complex hydrides and the synthesis methods has grown enormously since then. A significant part of the research groups active in the field of complex hydrides are collaborators in the IEA task 32. This paper reports about the important issues in the field of the complex hydride research, i.e. the synthesis of borohydrides, the thermodynamics of complex hydrides and their thermodynamic properties, the effects of size and confinement, the hydrogen sorption mechanism and the complex hydride composites as well as the properties of liquid complex hydrides. This paper is the result of the collaboration of several groups and excellent summary of the recent achievements.

  7. Barium aspiration and alveolarisation of barium in an infant: A case report and review of management

    Directory of Open Access Journals (Sweden)

    Alan F. Isles


    Full Text Available We describe a case of bilateral inhalation and alveolarisation of barium in an infant following a barium swallow for investigation of dusky spells associated with feeds. A bronchoscopy subsequently revealed the presence of a mid-tracheal tracheo-oesophageal cleft. We review the literature on barium aspiration, its consequences and make recommendations for management.


    Institute of Scientific and Technical Information of China (English)

    GE Qin-min; BIAN Fan; WANG Shu-yun; SHEN Sheng-hui


    @@ Most barium poisoning cases were caused by oral intake by mistake. Recent years, barium carbonate poisoning has been rare to be reported. Here we reported a case of acute barium carbonate toxication taken orally on purpose.

  9. Luminescent properties of aluminum hydride

    Energy Technology Data Exchange (ETDEWEB)

    Baraban, A.P.; Gabis, I.E.; Dmitriev, V.A. [Saint-Petersburg State University, Department of Physics, Saint-Petersburg 198504 (Russian Federation); Dobrotvorskii, M.A., E-mail: [Saint-Petersburg State University, Department of Physics, Saint-Petersburg 198504 (Russian Federation); Kuznetsov, V.G. [Saint-Petersburg State University, Department of Physics, Saint-Petersburg 198504 (Russian Federation); Matveeva, O.P. [National Mineral Resources University, Saint Petersburg 199106 (Russian Federation); Titov, S.A. [Petersburg State University of Railway Transport, Saint-Petersburg 190031 (Russian Federation); Voyt, A.P.; Elets, D.I. [Saint-Petersburg State University, Department of Physics, Saint-Petersburg 198504 (Russian Federation)


    We studied cathodoluminescence and photoluminescence of α-AlH{sub 3}– a likely candidate for use as possible hydrogen carrier in hydrogen-fueled vehicles. Luminescence properties of original α-AlH{sub 3} and α-AlH{sub 3} irradiated with ultraviolet were compared. The latter procedure leads to activation of thermal decomposition of α-AlH{sub 3} and thus has a practical implementation. We showed that the original and UV-modified aluminum hydride contain luminescence centers ‐ structural defects of the same type, presumably hydrogen vacancies, characterized by a single set of characteristic bands of radiation. The observed luminescence is the result of radiative intracenter relaxation of the luminescence center (hydrogen vacancy) excited by electrons or photons, and its intensity is defined by the concentration of vacancies, and the area of their possible excitation. UV-activation of the dehydrogenation process of aluminum hydride leads to changes in the spatial distribution of the luminescence centers. For short times of exposure their concentration increases mainly in the surface regions of the crystals. At high exposures, this process extends to the bulk of the aluminum hydride and ends with a decrease in concentration of luminescence centers in the surface region. - Highlights: • Aluminum hydride contains hydrogen vacancies which serve as luminescence centers. • The luminescence is the result of radiative relaxation of excited centers. • Hydride UV-irradiation alters distribution and concentration of luminescence centers.

  10. Photochemistry of Transition Metal Hydrides. (United States)

    Perutz, Robin N; Procacci, Barbara


    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.

  11. Method of producing a chemical hydride (United States)

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


    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.

  12. Hydrogen, lithium, and lithium hydride production (United States)

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


    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.

  13. Characteristics and Applications of Metal Hydrides (United States)

    Egan, G. J.; Lynch, F. E.


    Report discusses engineering principles of uses of metal hydrides in spacecraft. Metal hydrides absorb, store, pump, compress, and expand hydrogen gas. Additionally, they release or absorb sizeable amounts of heat as they form and decompose - property adapted for thermal-energy management or for propulsion. Describes efforts to: Identify heat sources and sinks suitable for driving metal hydride thermal cycles in spacecraft; develop concepts for hydride subsystems employing available heating and cooling methods; and produce data base on estimated sizes, masses, and performances of hydride devices for spacecraft.

  14. Processing science of barium titanate (United States)

    Aygun, Seymen Murat

    Barium titanate and barium strontium titanate thin films were deposited on base metal foils via chemical solution deposition and radio frequency magnetron sputtering. The films were processed at elevated temperatures for densification and crystallization. Two unifying research goals underpin all experiments: (1) To improve our fundamental understanding of complex oxide processing science, and (2) to translate those improvements into materials with superior structural and electrical properties. The relationships linking dielectric response, grain size, and thermal budget for sputtered barium strontium titanate were illustrated. (Ba 0.6Sr0.4)TiO3 films were sputtered on nickel foils at temperatures ranging between 100-400°C. After the top electrode deposition, the films were co-fired at 900°C for densification and crystallization. The dielectric properties were observed to improve with increasing sputter temperature reaching a permittivity of 1800, a tunability of 10:1, and a loss tangent of less than 0.015 for the sample sputtered at 400°C. The data can be understood using a brick wall model incorporating a high permittivity grain interior with low permittivity grain boundary. However, this high permittivity value was achieved at a grain size of 80 nm, which is typically associated with strong suppression of the dielectric response. These results clearly show that conventional models that parameterize permittivity with crystal diameter or film thickness alone are insufficiently sophisticated. Better models are needed that incorporate the influence of microstructure and crystal structure. This thesis next explores the ability to tune microstructure and properties of chemically solution deposited BaTiO3 thin films by modulation of heat treatment thermal profiles and firing atmosphere composition. Barium titanate films were deposited on copper foils using hybrid-chelate chemistries. An in-situ gas analysis process was developed to probe the organic removal and the

  15. Characterization of hydrides and delayed hydride cracking in zirconium alloys (United States)

    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

  16. 75 FR 19657 - Barium Chloride From China (United States)


    ... COMMISSION Barium Chloride From China AGENCY: United States International Trade Commission. ACTION: Notice of... chloride from China. SUMMARY: The Commission hereby gives notice that it will proceed with a full review... revocation of the antidumping duty order on barium chloride from China would be likely to lead...

  17. Laser cooling and trapping of barium

    NARCIS (Netherlands)

    De, Subhadeep


    Laser cooling and trapping of heavy alkaline-earth element barium have been demonstrated for the first time ever. For any possible cycling transition in barium that could provide strong cooling forces, the excited state has a very large branching probability to metastable states. Additional lasers a

  18. Properties of nanoscale metal hydrides. (United States)

    Fichtner, Maximilian


    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.

  19. Rechargeable metal hydrides for spacecraft application (United States)

    Perry, J. L.


    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.

  20. Magneto optical trapping of Barium

    CERN Document Server

    De, S; Jungmann, K; Willmann, L


    First laser cooling and trapping of the heavy alkaline earth element barium has been achieved based on the strong 6s$^2$ $^1$S$_0$ - 6s6p $^1$P$_1$ transition for the main cooling. Due to the large branching into metastable D-states several additional laser driven transitions are required to provide a closed cooling cycle. A total efficiency of $0.4(1) \\cdot 10^{-2}$ for slowing a thermal atomic beam and capturing atoms into a magneto optical trap was obtained. Trapping lifetimes of more than 1.5 s were observed. This lifetime is shortened at high laser intensities by photo ionization losses. The developed techniques will allow to extend significantly the number of elements that can be optically cooled and trapped.

  1. Radium/Barium Waste Project

    Energy Technology Data Exchange (ETDEWEB)

    McDowell, Allen K.; Ellefson, Mark D.; McDonald, Kent M.


    The treatment, shipping, and disposal of a highly radioactive radium/barium waste stream have presented a complex set of challenges requiring several years of effort. The project illustrates the difficulty and high cost of managing even small quantities of highly radioactive Resource Conservation and Recovery Act (RCRA)-regulated waste. Pacific Northwest National Laboratory (PNNL) research activities produced a Type B quantity of radium chloride low-level mixed waste (LLMW) in a number of small vials in a facility hot cell. The resulting waste management project involved a mock-up RCRA stabilization treatment, a failed in-cell treatment, a second, alternative RCRA treatment approach, coordinated regulatory variances and authorizations, alternative transportation authorizations, additional disposal facility approvals, and a final radiological stabilization process.

  2. Inhibited solid propellant composition containing beryllium hydride (United States)

    Thompson, W. W. (Inventor)


    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.

  3. Nanostructured, complex hydride systems for hydrogen generation

    Directory of Open Access Journals (Sweden)

    Robert A. Varin


    Full Text Available Complex hydride systems for hydrogen (H2 generation for supplying fuel cells are being reviewed. In the first group, the hydride systems that are capable of generating H2 through a mechanical dehydrogenation phenomenon at the ambient temperature are discussed. There are few quite diverse systems in this group such as lithium alanate (LiAlH4 with the following additives: nanoiron (n-Fe, lithium amide (LiNH2 (a hydride/hydride system and manganese chloride MnCl2 (a hydride/halide system. Another hydride/hydride system consists of lithium amide (LiNH2 and magnesium hydride (MgH2, and finally, there is a LiBH4-FeCl2 (hydride/halide system. These hydride systems are capable of releasing from ~4 to 7 wt.% H2 at the ambient temperature during a reasonably short duration of ball milling. The second group encompasses systems that generate H2 at slightly elevated temperature (up to 100 °C. In this group lithium alanate (LiAlH4 ball milled with the nano-Fe and nano-TiN/TiC/ZrC additives is a prominent system that can relatively quickly generate up to 7 wt.% H2 at 100 °C. The other hydride is manganese borohydride (Mn(BH42 obtained by mechano-chemical activation synthesis (MCAS. In a ball milled (2LiBH4 + MnCl2 nanocomposite, Mn(BH42 co-existing with LiCl can desorb ~4.5 wt.% H2 at 100 °C within a reasonable duration of dehydrogenation. Practical application aspects of hydride systems for H2 generation/storage are also briefly discussed.

  4. Use of reversible hydrides for hydrogen storage (United States)

    Darriet, B.; Pezat, M.; Hagenmuller, P.


    The addition of metals or alloys whose hydrides have a high dissociation pressure allows a considerable increase in the hydrogenation rate of magnesium. The influence of temperature and hydrogen pressure on the reaction rate were studied. Results concerning the hydriding of magnesium rich alloys such as Mg2Ca, La2Mg17 and CeMg12 are presented. The hydriding mechanism of La2Mg17 and CeMg12 alloys is given.

  5. Anodematerials for Metal Hydride Batteries

    DEFF Research Database (Denmark)

    Jensen, Jens Oluf


    by annealing at 700°C for 12 hours. The alloys appeared to be nanocrystalline with an average crystallite size around 10 nm before annealing. Special steel containers was developed for the annealing of the metal powders in inert atmosphere. The use of various annealing temperatures was investigated......This report describes the work on development of hydride forming alloys for use as electrode materials in metal hydride batteries. The work has primarily been concentrated on calcium based alloys derived from the compound CaNi5. This compound has a higher capacity compared with alloys used in today...... was developed. The parameters milling time, milling intensity, number of balls and form of the alloying metals were investigated. Based on this a final alloying technique for the subsequent preparation of electrode materials was established. The technique comprises milling for 4 hours twice possibly followed...

  6. Predicting formation enthalpies of metal hydrides

    DEFF Research Database (Denmark)

    Andreasen, A.


    In order for the hydrogen based society viz. a society in which hydrogen is the primary energy carrier to become realizable an efficient way of storing hydrogen is required. For this purpose metal hydrides are serious candidates. Metal hydrides are formedby chemical reaction between hydrogen...... and metal and for the stable hydrides this is associated with release of heat (#DELTA#H_f ). The more thermodynamically stable the hydride, the larger DHf, and the higher temperature is needed in order to desorphydrogen (reverse reaction) and vice versa. For practical application the temperature needed...

  7. Research on Metal Hydride Compressor System

    Institute of Scientific and Technical Information of China (English)


    Ti-Zr series Laves phase hydrogen storage alloys with good hydrogen storage properties, such as large hydrogen capacity, rapid hydriding and dehydriding rate, high compression ratio, gentle plateau, small hysteresis, easily being activated and long cyclic stability etc. for metal hydride compressor have been investigated. In addition, a hydride compressor with special characteristics, namely, advanced filling method, good heat transfer effect and reasonable structural design etc. has also been constructed. A hydride compressor cryogenic system has been assembled coupling the compressor with a J-T micro-throttling refrigeration device and its cooling capacity can reach 0.4 W at 25 K.

  8. Thermodynamic Hydricity of Transition Metal Hydrides. (United States)

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


    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.

  9. Coinage Metal Hydrides: Synthesis, Characterization, and Reactivity. (United States)

    Jordan, Abraham J; Lalic, Gojko; Sadighi, Joseph P


    Hydride complexes of copper, silver, and gold encompass a broad array of structures, and their distinctive reactivity has enabled dramatic recent advances in synthesis and catalysis. This Review summarizes the synthesis, characterization, and key stoichiometric reactions of isolable or observable coinage metal hydrides. It discusses catalytic processes in which coinage metal hydrides are known or probable intermediates, and presents mechanistic studies of selected catalytic reactions. The purpose of this Review is to convey how developments in coinage metal hydride chemistry have led to new organic transformations, and how developments in catalysis have in turn inspired the synthesis of reactive new complexes.

  10. Crystal structure of gold hydride

    Energy Technology Data Exchange (ETDEWEB)

    Degtyareva, Valentina F., E-mail:


    Highlights: • Volume expansion of metal hydrides is due to the increase in the s-band filling. • AuH structure is similar to that of Hg having one more s electron compared to Au. • Structure stability of both Hg and AuH is governed by the Hume-Rothery rule. - Abstract: A number of transition metal hydrides with close-packed metal sublattices of fcc or hcp structures with hydrogen in octahedral interstitial positions were obtained by the high-pressure-hydrogen technique described by Ponyatovskii et al. (1982). In this paper we consider volume increase of metals by hydrogenation and possible crystal structure of gold hydride in relation with the structure of mercury, the nearest neighbor of Au in the Periodic table. Suggested structure of AuH has a basic tetragonal body-centered cell that is very similar to the mercury structure Hg-t I 2. The reasons of stability for this structure are discussed within the model of Fermi sphere–Brillouin zone interactions.

  11. 75 FR 20625 - Barium Chloride From China (United States)


    ... From the Federal Register Online via the Government Publishing Office INTERNATIONAL TRADE COMMISSION Barium Chloride From China AGENCY: United States International Trade Commission. ACTION: Revised schedule for the subject review. DATES: Effective Date: April 9, 2010. FOR FURTHER INFORMATION CONTACT:...

  12. Fundamental experiments on hydride reorientation in zircaloy (United States)

    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

  13. Neutral Barium Cloud Evolution at Different Altitudes

    Institute of Scientific and Technical Information of China (English)

    李磊; 徐荣栏


    Considering the joint effects of diffusion, collision, oxidation and photoionization, we study the evolution of the barium cloud at different altitudes in the space plasma active experiment. The results present the variation of the loss rate, number density distribution and brightness of the barium cloud over the range from 120 to 260km.This can be divided into oxidation, oxidation plus photoionization and photoionization regions.

  14. Small barium rail gun for plasma injection. (United States)

    Kiwamoto, Y


    A small rail gun with a barium electrode can be operated at higher than one shot per second to produce more than 2x10(16) barium ions with energy 10-20 eV. The operation of the gun takes advantage of the external magnetic field for cross-field plasma injection into a trap. Up to 7 kG of the magnetic field examined, the gun performance improves with the increased magnetic field strength.

  15. Bacterial Reduction Of Barium Sulphate By Sulphate-Reducing Bacteria

    Directory of Open Access Journals (Sweden)

    Luptáková Alena


    Full Text Available Acid mine drainage (AMD is a worldwide problem leading to contamination of water sources. AMD are characterized by low pH and high content of heavy metals and sulphates. The barium salts application presents one of the methods for the sulphates removing from AMD. Barium chloride, barium hydroxide and barium sulphide are used for the sulphates precipitation in the form of barium sulphate. Because of high investment costs of barium salts, barium sulphide is recycled from barium sulphate precipitates. It can be recycled by thermic or bacterial reduction of barium sulphate. The aim of our study was to verify experimentally the possibility of the bacterial transformation of BaSO4 to BaS by sulphate-reducing bacteria. Applied BaSO4 came from experiments of sulphates removal from Smolnik AMD using BaCl2.

  16. Metal Hydrides for Rechargeable Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Valoeen, Lars Ole


    Rechargeable battery systems are paramount in the power supply of modern electronic and electromechanical equipment. For the time being, the most promising secondary battery systems for the future are the lithium-ion and the nickel metal hydride (NiMH) batteries. In this thesis, metal hydrides and their properties are described with the aim of characterizing and improving those. The thesis has a special focus on the AB{sub 5} type hydrogen storage alloys, where A is a rare earth metal like lanthanum, or more commonly misch metal, which is a mixture of rare earth metals, mainly lanthanum, cerium, neodymium and praseodymium. B is a transition metal, mainly nickel, commonly with additions of aluminium, cobalt, and manganese. The misch metal composition was found to be very important for the geometry of the unit cell in AB{sub 5} type alloys, and consequently the equilibrium pressure of hydrogen in these types of alloys. The A site substitution of lanthanum by misch metal did not decrease the surface catalytic properties of AB{sub 5} type alloys. B-site substitution of nickel with other transition elements, however, substantially reduced the catalytic activity of the alloy. If the internal pressure within the electrochemical test cell was increased using inert argon gas, a considerable increase in the high rate charge/discharge performance of LaNi{sub 5} was observed. An increased internal pressure would enable the utilisation of alloys with a high hydrogen equivalent pressure in batteries. Such alloys often have favourable kinetics and high hydrogen diffusion rates and thus have a potential for improving the high current discharge rates in metal hydride batteries. The kinetic properties of metal hydride electrodes were found to improve throughout their lifetime. The activation properties were found highly dependent on the charge/discharge current. Fewer charge/discharge cycles were needed to activate the electrodes if a small current was used instead of a higher

  17. Kinetics of hydride front in Zircaloy-2 and H release from a fractional hydrided surface

    Energy Technology Data Exchange (ETDEWEB)

    Diaz, M.; Gonzalez-Gonzalez, A.; Moya, J. S.; Remartinez, B.; Perez, S.; Sacedon, J. L. [Instituto de Ciencia de Materiales de Madrid (CSIC), Sor Juana Ines de la Cruz 3, Cantoblanco, 28049 Madrid (Spain); Iberdrola, Tomas Redondo 3, 28033 Madrid (Spain); Instituto de Ciencia de Materiales de Madrid (CSIC), Sor Juana Ines de la Cruz 3, Cantoblanco, 28049 Madrid (Spain)


    The authors study the hydriding process on commercial nuclear fuel claddings from their inner surface using an ultrahigh vacuum method. The method allows determining the incubation and failure times of the fuel claddings, as well as the dissipated energy and the partial pressure of the desorbed H{sub 2} from the outer surface of fuel claddings during the hydriding process. The correlation between the hydriding dissipated energy and the amount of zirconium hydride (formed at different stages of the hydriding process) leads to a near t{sup 1/2} potential law corresponding to the time scaling of the reaction for the majority of the tested samples. The calibrated relation between energy and hydride thickness allows one to calculate the enthalpy of the {delta}-ZrH{sub 1.5} phase. The measured H{sub 2} desorption from the external surface is in agreement with a proposed kinetic desorption model from the hydrides precipitated at the surface.

  18. Thermochemical hydrogen production via a cycle using barium and sulfur - Reaction between barium sulfide and water (United States)

    Ota, K.; Conger, W. L.


    The reaction between barium sulfide and water, a reaction found in several sulfur based thermochemical cycles, was investigated kinetically at 653-866 C. Gaseous products were hydrogen and hydrogen sulfide. The rate determining step for hydrogen formation was a surface reaction between barium sulfide and water. An expression was derived for the rate of hydrogen formation.

  19. Sulphate removal from sodium sulphate-rich brine and recovery of barium as a barium salt mixture. (United States)

    Vadapalli, Viswanath R K; Zvimba, John N; Mulopo, Jean; Motaung, Solly


    Sulphate removal from sodium sulphate-rich brine using barium hydroxide and recovery of the barium salts has been investigated. The sodium sulphate-rich brine treated with different dosages of barium hydroxide to precipitate barium sulphate showed sulphate removal from 13.5 g/L to less than 400 mg/L over 60 min using a barium to sulphate molar ratio of 1.1. The thermal conversion of precipitated barium sulphate to barium sulphide achieved a conversion yield of 85% using coal as both a reducing agent and an energy source. The recovery of a pure mixture of barium salts from barium sulphide, which involved dissolution of barium sulphide and reaction with ammonium hydroxide resulted in recovery of a mixture of barium carbonate (62%) and barium hydroxide (38%), which is a critical input raw material for barium salts based acid mine drainage (AMD) desalination technologies. Under alkaline conditions of this barium salt mixture recovery process, ammonia gas is given off, while hydrogen sulfide is retained in solution as bisulfide species, and this provides basis for ammonium hydroxide separation and recovery for reuse, with hydrogen sulfide also recoverable for further industrial applications such as sulfur production by subsequent stripping.

  20. Synthesis of barium mercaptides and application of antimony/barium mercaptides

    Institute of Scientific and Technical Information of China (English)

    瞿龙; 张露露; 舒万艮


    Mercaptoacetic acid, isooctyl thioglycolate and barium hydroxide used as start materials, barium bis (2-ethylhexyl thioglycolate) (Ba(2EHTG)2), barium thioglycolate (Ba(TG)) and barium bisthioglycolate (Ba(TG)2) were synthesized. Their optimum synthetic techniques were discussed, and some physicochemical data were reported. Infrared spectroscopy and elemental analysis methods were used to identify the structures. They were put into PVC plastic products together with antimony tris (2-ethylhexyl thioglycolate) (Sb(2EHTG)3) under the suitable compounding, and their heat stability to PVC was studied. It is shown that these barium mercaptides have remarkable synergisms with antimony mercaptides and the long-term stabilizing effect of organoantimony stabilizer can be effectively improved, reducing the amount of antimony compounds so as to avoid the decrease of its stabilizing effect.

  1. Abundance analysis of Barium stars

    Institute of Scientific and Technical Information of China (English)

    Guo-Qing Liu; Yan-Chun Liang; Li-Cai Deng


    We obtain the chemical abundances of six barium stars and two CH subgiant stars based on the high signal-to-noise ratio and high resolution Echelle spectra. The neu- tron capture process elements Y, Zr, Ba, La and Eu show obvious overabundances relative to the Sun, for example, their [Ba/Fe] values are from 0.45 to 1.27. Other elements, in- cluding Na, Mg, A1, Si, Ca, Sc, Ti, V, Cr, Mn and Ni, show comparable abundances to the Solar ones, and their [Fe/H] covers a range from -0.40 to 0.21, which means they belong to the Galactic disk. The predictions of the theoretical model of wind accretion for bi- nary systems can explain the observed abundance patterns of the neutron capture process elements in these stars, which means that their overabundant heavy-elements could be caused by accreting the ejecta of AGB stars, the progenitors of present-day white dwarf companions in binary systems.

  2. Hydrogen-storing hydride complexes (United States)

    Srinivasan, Sesha S [Tampa, FL; Niemann, Michael U [Venice, FL; Goswami, D Yogi [Tampa, FL; Stefanakos, Elias K [Tampa, FL


    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 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 C. and the other around C., with the main hydrogen release temperature reduced from C. to C., while hydrogen is first reversibly released at temperatures as low as 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.

  3. Metal Hydrides for Rechargeable Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Valoeen, Lars Ole


    Rechargeable battery systems are paramount in the power supply of modern electronic and electromechanical equipment. For the time being, the most promising secondary battery systems for the future are the lithium-ion and the nickel metal hydride (NiMH) batteries. In this thesis, metal hydrides and their properties are described with the aim of characterizing and improving those. The thesis has a special focus on the AB{sub 5} type hydrogen storage alloys, where A is a rare earth metal like lanthanum, or more commonly misch metal, which is a mixture of rare earth metals, mainly lanthanum, cerium, neodymium and praseodymium. B is a transition metal, mainly nickel, commonly with additions of aluminium, cobalt, and manganese. The misch metal composition was found to be very important for the geometry of the unit cell in AB{sub 5} type alloys, and consequently the equilibrium pressure of hydrogen in these types of alloys. The A site substitution of lanthanum by misch metal did not decrease the surface catalytic properties of AB{sub 5} type alloys. B-site substitution of nickel with other transition elements, however, substantially reduced the catalytic activity of the alloy. If the internal pressure within the electrochemical test cell was increased using inert argon gas, a considerable increase in the high rate charge/discharge performance of LaNi{sub 5} was observed. An increased internal pressure would enable the utilisation of alloys with a high hydrogen equivalent pressure in batteries. Such alloys often have favourable kinetics and high hydrogen diffusion rates and thus have a potential for improving the high current discharge rates in metal hydride batteries. The kinetic properties of metal hydride electrodes were found to improve throughout their lifetime. The activation properties were found highly dependent on the charge/discharge current. Fewer charge/discharge cycles were needed to activate the electrodes if a small current was used instead of a higher

  4. Hydrogen adsorption on palladium and palladium hydride at 1 bar

    DEFF Research Database (Denmark)

    Johansson, Martin; Skulason, Egill; Nielsen, Gunver;


    strongly to Pd hydride than to Pd. The activation barrier for desorption at a H coverage of one mono layer is slightly lower on Pd hydride, whereas the activation energy for adsorption is similar on Pd and Pd hydride. It is concluded that the higher sticking probability on Pd hydride is most likely caused...... by a slightly lower equilibrium coverage of H, which is a consequence of the lower heat of adsorption for H on Pd hydride....

  5. Coherent Dark Resonances in Atomic Barium

    CERN Document Server

    Dammalapati, U; Jungmann, K; Willmann, L


    The observation of dark-resonances in the two-electron atom barium and their influence on optical cooling is reported. In heavy alkali earth atoms, i.e. barium or radium, optical cooling can be achieved using n^1S_0-n^1P_1 transitions and optical repumping from the low lying n^1D_2 and n^3D_{1,2} states to which the atoms decay with a high branching ratio. The cooling and repumping transition have a common upper state. This leads to dark resonances and hence make optical cooling less inefficient. The experimental observations can be accurately modelled by the optical Bloch equations. Comparison with experimental results allows us to extract relevant parameters for effective laser cooling of barium.

  6. Improved spectrophotometric analysis of barium styphnate

    Energy Technology Data Exchange (ETDEWEB)

    Brown, N E; Blasi, J A


    A spectrophotometric procedure to determine the purity of barium styphnate monohydrate based upon the absorbance of the styphnate ion at 326 and 413.3 nm has been developed. The purity is determined by comparing the absorbance of the styphnate ion in barium styphnate and in styphnic acid. Our investigation has shown that the molar absorptivity and lambda maxima of the styphnate ion are quite pH dependent; therefore, the pH is buffered to 6.8 to 7.0 with ammonium acetate. Under these conditions the molar absorptivity is 1.6 x 10/sup 4/ L/mol-cm. Analyses following the procedure in the Navy specification WS13444A using water were found to give low molar absorptivities (1.3 x 10/sup 4/ L/mol-cm) for the styphnic acid calibration resulting in erroneous values for barium styphnate purity.

  7. Hydride heat pump with heat regenerator (United States)

    Jones, Jack A. (Inventor)


    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.

  8. Printed Barium Strontium Titanate capacitors on silicon

    Energy Technology Data Exchange (ETDEWEB)

    Sette, Daniele [Univ. Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, F-38054 Grenoble (France); Luxembourg Institute of Science and Technology LIST, Materials Research and Technology Department, L-4422 Belvaux (Luxembourg); Kovacova, Veronika [Univ. Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, F-38054 Grenoble (France); Defay, Emmanuel, E-mail: [Univ. Grenoble Alpes, F-38000 Grenoble (France); CEA, LETI, MINATEC Campus, F-38054 Grenoble (France); Luxembourg Institute of Science and Technology LIST, Materials Research and Technology Department, L-4422 Belvaux (Luxembourg)


    In this paper, we show that Barium Strontium Titanate (BST) films can be prepared by inkjet printing of sol–gel precursors on platinized silicon substrate. Moreover, a functional variable capacitor working in the GHz range has been made without any lithography or etching steps. Finally, this technology requires 40 times less precursors than the standard sol–gel spin-coating technique. - Highlights: • Inkjet printing of Barium Strontium Titanate films • Deposition on silicon substrate • Inkjet printed silver top electrode • First ever BST films thinner than 1 μm RF functional variable capacitor that has required no lithography.

  9. Electronic structure of nanograin barium titanate ceramics

    Institute of Scientific and Technical Information of China (English)

    DENG Xiangyun; WANG Xiaohui; LI Dejun; LI Longtu


    The density of states and band structure of 20 nm barium titanate(BaTiO3,BT)ceramics are investigated by first-principles calculation.The full potential linearized augmented plane wave(FLAPW)method is used and the exchange correlation effects are treated by the generalized gradient approximation(GGA).The results show that there is substantial hybridization between the Ti 3d and O 2p states in 20 nm BT ceramics and the interaction between barium and oxygen is typically ionic.

  10. Method of forming metal hydride films (United States)

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


    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.

  11. Sealed aerospace metal-hydride batteries (United States)

    Coates, Dwaine


    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.

  12. Probing the cerium/cerium hydride interface using nanoindentation

    Energy Technology Data Exchange (ETDEWEB)

    Brierley, Martin, E-mail: [Atomic Weapons Establishment, Aldermaston, Berkshire RG7 4PR (United Kingdom); University of Manchester, Manchester M13 9PL (United Kingdom); Knowles, John, E-mail: [Atomic Weapons Establishment, Aldermaston, Berkshire RG7 4PR (United Kingdom)


    Highlights: • A disparity exists between the minimum energy and actual shape of a cerium hydride. • Cerium hydride is found to be harder than cerium metal by a ratio of 1.7:1. • A zone of material under compressive stress was identified surrounding the hydride. • No distribution of hardness was apparent within the hydride. - Abstract: A cerium hydride site was sectioned and the mechanical properties of the exposed phases (cerium metal, cerium hydride, oxidised cerium hydride) were measured using nanoindentation. An interfacial region under compressive stress was observed in the cerium metal surrounding a surface hydride that formed as a consequence of strain energy generated by the volume expansion associated with precipitation of the hydride phase.

  13. Barium Ferrite Films Grown by Laser Ablation

    NARCIS (Netherlands)

    Lisfi, A.; Lodder, J.C.; Haan, de P.; Smithers, M.A.; Roesthuis, F.J.G.


    Pulsed laser ablation (PLA) has been used to grow barium ferrite films on Al2O3 single crystal substrates. When deposition occurs in an oxidising atmosphere at high temperatures, the films are single BaFe12O19 phase, very well oriented with (001) texture, and exhibit a large perpendicular magnetic a

  14. gamma-Zr-Hydride Precipitate in Irradiated Massive delta- Zr-Hydride

    DEFF Research Database (Denmark)

    Warren, M. R.; Bhattacharya, D. K.


    During examination of A Zircaloy-2-clad fuel pin, which had been part of a test fuel assembly in a boiling water reactor, several regions of severe internal hydriding were noticed in the upper-plenum end of the pin. Examination of similar fuel pins has shown that hydride of this type is caused...

  15. Barium carbonate as an agent to improve the electrical properties of neodymium-barium-copper system at high temperature

    Energy Technology Data Exchange (ETDEWEB)

    Fernandes, J.P. [Post-Graduate Program in Chemical Engineering, Universidade Federal de Santa Catarina (UFSC), Florianópolis, SC, 88040-900 (Brazil); Duarte, G.W. [Post-Graduate Program in Chemical Engineering, Universidade Federal de Santa Catarina (UFSC), Florianópolis, SC, 88040-900 (Brazil); Research Group in Technology and Information, Centro Universitário Barriga Verde (UNIBAVE), Santa Catarina, SC (Brazil); Caldart, C. [Post-Graduate Program in Science and Materials Engineering, Universidade do Extremo Sul Catarinense (UNESC), Criciúma, SC, 88806-000 (Brazil); Kniess, C.T. [Post-Graduate Program in Professional Master in Management, Universidade Nove de Julho, São Paulo, SP (Brazil); Montedo, O.R.K.; Rocha, M.R. [Post-Graduate Program in Science and Materials Engineering, Universidade do Extremo Sul Catarinense (UNESC), Criciúma, SC, 88806-000 (Brazil); Riella, H.G. [Post-Graduate Program in Chemical Engineering, Universidade Federal de Santa Catarina (UFSC), Florianópolis, SC, 88040-900 (Brazil); Fiori, M.A., E-mail: [Post-Graduate Program in Environmental Science, Universidade Comunitária da Região de Chapecó (UNOCHAPECÓ), Chapecó, SC, 89809-000 (Brazil); Post-Graduate Program in Technology and Management of the Innovation, Universidade Comunitária da Região de Chapecó (UNOCHAPECÓ), Chapecó, SC, 89809-000 (Brazil)


    Specialized ceramics are manufactured under special conditions and contain specific elements. They possess unique electrical and thermal properties and are frequently used by the electronics industry. Ceramics containing neodymium-barium-copper (NBC) exhibit high conductivities at low temperatures. NBC-based ceramics are typically combined with oxides, i.e., NBCo produced from neodymium oxide, barium oxide and copper oxide. This study presents NBC ceramics that were produced with barium carbonate, copper oxide and neodymium oxide (NBCa) as starting materials. These ceramics have good electrical conductivities at room temperature. Their conductivities are temperature dependent and related to the starting amount of barium carbonate (w%). - Highlights: • The new crystalline structure were obtained due presence of the barium carbonate. • The NBCa compound has excellent electrical conductivity at room temperature. • The grain crystalline morphology was modified by presence of the barium carbonate. • New Phases α and β were introduced by carbonate barium in the NBC compound.

  16. The Effect of Hydrogen and Hydrides on the Integrity of Zirconium Alloy Components Delayed Hydride Cracking

    CERN Document Server

    Puls, Manfred P


    By drawing together the current theoretical and experimental understanding of the phenomena of delayed hydride cracking (DHC) in zirconium alloys, The Effect of Hydrogen and Hydrides on the Integrity of Zirconium Alloy Components: Delayed Hydride Cracking provides a detailed explanation focusing on the properties of hydrogen and hydrides in these alloys. Whilst the focus lies on zirconium alloys, the combination of both the empirical and mechanistic approaches creates a solid understanding that can also be applied to other hydride forming metals.   This up-to-date reference focuses on documented research surrounding DHC, including current methodologies for design and assessment of the results of periodic in-service inspections of pressure tubes in nuclear reactors. Emphasis is placed on showing that our understanding of DHC is supported by progress across a broad range of fields. These include hysteresis associated with first-order phase transformations; phase relationships in coherent crystalline metallic...

  17. Preliminary development of flaw evaluation procedures for delayed hydride cracking initiation under hydride non-ratcheting conditions

    Energy Technology Data Exchange (ETDEWEB)

    Xu, S.; Cui, J.; Kawa, D.; Shek, G.K.; Scarth, D.A. [Kinectrics Inc., Toronto, Ontario (Canada)


    The flaw evaluation procedure for Delayed Hydride Cracking (DHC) initiation currently provided in the CSA Standard N285.8 was developed for hydride ratcheting conditions, in which flaw-tip hydrides do not completely dissolve at peak temperature. Test results have shown that hydrided regions formed under non-ratcheting conditions, in which flaw-tip hydrides completely dissolve at peak temperature, have significantly higher resistance to cracking than those formed under ratcheting conditions. This paper presents some preliminary work on the development of a procedure for the evaluation of DHC initiation for flaws under hydride non-ratcheting conditions. (author)

  18. Facile synthesis of Ba1-xKxFe₂As₂ superconductors via hydride route

    Energy Technology Data Exchange (ETDEWEB)

    Zaikina, Julia V. [Univ. of California at Davis, Davis, CA (United States); Batuk, Maria [Univ. of Antwerp, Antwerp (Belgium); Abakumov, Artem M. [Univ. of Antwerp, Antwerp (Belgium); Navrotsky, Alexandra [Univ. of California at Davis, Davis, CA (United States); Kauzlarich, Susan M. [Univ. of California at Davis, Davis, CA (United States)


    We have developed a fast, easy, and scalable synthesis method for Ba1-xKxFe₂As₂ (0 ≤ x ≤ 1) superconductors using hydrides BaH₂ and KH as a source of barium and potassium metals. Synthesis from hydrides provides better mixing and easier handling of the starting materials, consequently leading to faster reactions and/or lower synthesis temperatures. The reducing atmosphere provided by the evolved hydrogen facilitates preparation of oxygen-free powders. By a combination of methods we have shown that Ba1-xKxFe₂As₂ obtained via hydride route has the same characteristics as when it is prepared by traditional solid-state synthesis. Refinement from synchrotron powder X-ray diffraction data confirms a linear dependence of unit cell parameters upon K content as well as the tetragonal to orthorhombic transition at low temperatures for compositions with x < 0.2. Magnetic measurements revealed dome-like dependence of superconducting transition temperature Tc upon K content with a maximum of 38 K for x close to 0.4. Electron diffraction and high-resolution high-angle annular dark-field scanning transmission electron microscopy indicates an absence of Ba/K ordering, while local inhomogeneity in the Ba/K distribution takes place at a scale of several angstroms along [110] crystallographic direction.

  19. Thin-film metal hydrides. (United States)

    Remhof, Arndt; Borgschulte, Andreas


    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.

  20. Chemical abundances and kinematics of barium stars

    CERN Document Server

    de Castro, D B; Roig, F; Jilinski, E; Drake, N A; Chavero, C; Silva, J V Sales


    In this paper we present an homogeneous analysis of photospheric abundances based on high-resolution spectroscopy of a sample of 182 barium stars and candidates. We determined atmospheric parameters, spectroscopic distances, stellar masses, ages, luminosities and scale height, radial velocities, abundances of the Na, Al, $alpha$-elements, iron-peak elements, and s-process elements Y, Zr, La, Ce, and Nd. We employed the local-thermodynamic-equilibrium model atmospheres of Kurucz and the spectral analysis code {\\sc moog}. We found that the metallicities, the temperatures and the surface gravities for barium stars can not be represented by a single gaussian distribution. The abundances of $alpha$-elements and iron peak elements are similar to those of field giants with the same metallicity. Sodium presents some degree of enrichment in more evolved stars that could be attributed to the NeNa cycle. As expected, the barium stars show overabundance of the elements created by the s-process. By measuring the mean heav...

  1. Analysis of 26 Barium Stars I. Abundances

    CERN Document Server

    Allen, D M; Allen, Dinah M.; Barbuy, Beatriz


    We present a detailed analysis of 26 barium stars, including dwarf barium stars, providing their atmospheric parameters (Teff, log g, [Fe/H], vt) and elemental abundances. We aim at deriving gravities and luminosity classes of the sample stars, in particular to confirm the existence of dwarf barium stars. Accurate abundances of chemical elements were derived. Abundance ratios between nucleosynthetic processes, by using Eu and Ba as representatives of the r- and s-processes are presented. High-resolution spectra with the FEROS spectrograph at the ESO-1.5m Telescope, and photometric data with Fotrap at the Zeiss telescope at the LNA were obtained. The atmospheric parameters were derived in an iterative way, with temperatures obtained from colour-temperature calibrations. The abundances were derived using spectrum synthesis for Li, Na, Al, alpha-, iron peak, s- and r-elements atomic lines, and C and N molecular lines. Atmospheric parameters in the range 4300 < Teff < 6500, -1.2 < [Fe/H] < 0.0 and 1.4...

  2. Atom probe analysis of titanium hydride precipitates. (United States)

    Takahashi, J; Kawakami, K; Otsuka, H; Fujii, H


    It is expected that the three-dimensional atom probe (3DAP) will be used as a tool to visualize the atomic scale of hydrogen atoms in steel is expected, due to its high spatial resolution and very low detection limit. In this paper, the first 3DAP analysis of titanium hydride precipitates in metal titanium is reported in terms of the quantitative detection of hydrogen. FIB fabrication techniques using the lift-out method have enabled the production of needle tips of hydride precipitates, of several tens of microns in size, within a titanium matrix. The hydrogen concentration estimated from 3DAP analysis was slightly smaller than that of the hydride phase predicted from the phase diagram. We discuss the origin of the difference between the experimental and predicted values and the performance of 3DAP for the quantitative detection of hydrogen.

  3. Lattice contraction in photochromic yttrium hydride

    Energy Technology Data Exchange (ETDEWEB)

    Maehlen, Jan Petter, E-mail:; Mongstad, Trygve T.; You, Chang Chuan; Karazhanov, Smagul


    Highlights: •Photochromic yttrium hydride films (YH:O) were prepared by reactive sputtering. •Black and transparent YH:O films were studied by time-resolved synchrotron XRD. •Both YH:O samples showed a lattice contraction upon illumination. •Also exposure to the X-ray beam itself results in a lattice contraction. -- Abstract: A strong photochromic effect was recently discovered in thin films of oxygen-containing yttrium hydride taking place at room temperature and reacting to ultraviolet and visible light. In this paper, we report on a lattice contraction upon illumination observed for thin-film samples of photochromic yttrium hydride, recorded by time-resolved X-ray diffraction using synchrotron radiation. The time dependence of the lattice contraction is consistent with the observed photochromic response of the samples.

  4. Hydrogen storage in complex metal hydrides

    Directory of Open Access Journals (Sweden)



    Full Text Available Complex metal hydrides such as sodium aluminohydride (NaAlH4 and sodium borohydride (NaBH4 are solid-state hydrogen-storage materials with high hydrogen capacities. They can be used in combination with fuel cells as a hydrogen source thus enabling longer operation times compared with classical metal hydrides. The most important point for a wide application of these materials is the reversibility under moderate technical conditions. At present, only NaAlH4 has favourable thermodynamic properties and can be employed as a thermally reversible means of hydrogen storage. By contrast, NaBH4 is a typical non- -reversible complex metal hydride; it reacts with water to produce hydrogen.

  5. Iron Group Hydrides in Noyori Bifunctional Catalysis. (United States)

    Morris, Robert H


    This is an overview of the hydride-containing catalysts prepared in the Morris group for the efficient hydrogenation of simple ketones, imines, nitriles and esters and the asymmetric hydrogenation and transfer hydrogenation of prochiral ketones and imines. The work was inspired by and makes use of Noyori metal-ligand bifunctional concepts involving the hydride-ruthenium amine-hydrogen HRuNH design. It describes the synthesis and some catalytic properties of hydridochloro, dihydride and amide complexes of ruthenium and in one case, osmium, with monodentate, bidentate and tetradentate phosphorus and nitrogen donor ligands. The iron hydride that has been identified in a very effective asymmetric transfer hydrogenation process is also mentioned. The link between the HMNH structure and the sense of enantioinduction is demonstrated by use of simple transition state models.

  6. Lanthanide doped strontium-barium cesium halide scintillators (United States)

    Bizarri, Gregory; Bourret-Courchesne, Edith; Derenzo, Stephen E.; Borade, Ramesh B.; Gundiah, Gautam; Yan, Zewu; Hanrahan, Stephen M.; Chaudhry, Anurag; Canning, Andrew


    The present invention provides for a composition comprising an inorganic scintillator comprising an optionally lanthanide-doped strontium-barium, optionally cesium, halide, useful for detecting nuclear material.

  7. History and challenges of barium titanate: Part I

    Directory of Open Access Journals (Sweden)

    Vijatović M.M.


    Full Text Available Barium titanate is the first ferroelectric ceramics and a good candidate for a variety of applications due to its excellent dielectric, ferroelectric and piezoelectric properties. Barium titanate is a member of a large family of compounds with the general formula ABO3 called perovskites. Barium titanate can be prepared using different methods. The synthesis method depends on the desired characteristics for the end application. The used method has a significant influence on the structure and properties of barium titanate materials. In this review paper, Part I contains a study of the BaTiO3 structure and frequently used synthesis methods.

  8. Thermochemical hydrogen production via a cycle using barium and sulfur: reaction between barium sulfide and water

    Energy Technology Data Exchange (ETDEWEB)

    Ota, K.; Conger, W.L.


    The reaction between barium sulfide and water, a reaction found in several sulfur based thermochemical cycles, was investigated kinetically at 653 to 866/sup 0/C. Gaseous products were hydrogen and hydrogen sulfide. The rate determining step for hydrogen formation was a surface reaction between barium sulfide and water. The rate of formation of hydrogen can be expressed as: RH2 = 1.07 x 10/sup -2/ exp (-3180/RT) (mol H/sub 2//mol BaS s). Hydrogen sulfide was produced during the initial period of reaction and the quantity of hydrogen sulfide formed during this period decreased as the temperature of reaction was increased.

  9. Hydride formation on deformation twin in zirconium alloy (United States)

    Kim, Ju-Seong; Kim, Sung-Dae; Yoon, Jonghun


    Hydrides deteriorate the mechanical properties of zirconium (Zr) alloys used in nuclear reactors. Intergranular hydrides that form along grain boundaries have been extensively studied due to their detrimental effects on cracking. However, it has been little concerns on formation of Zr hydrides correlated with deformation twins which is distinctive heterogeneous nucleation site in hexagonal close-packed metals. In this paper, the heterogeneous precipitation of Zr hydrides at the twin boundaries was visualized using transmission electron microscopy. It demonstrates that intragranular hydrides in the twinned region precipitates on the rotated habit plane by the twinning and intergranular hydrides precipitate along the coherent low energy twin boundaries independent of the conventional habit planes. Interestingly, dislocations around the twin boundaries play a substantial role in the nucleation of Zr hydrides by reducing the misfit strain energy.

  10. Destabilization of magnesium hydride through interface engineering

    NARCIS (Netherlands)

    Mooij, L.P.A.


    The aim of this thesis is to study the thermodynamics of hydrogenation of nanoconfined magnesium within a thin film multilayer model system. Magnesium hydride is a potential material for hydrogen storage, which is a key component in a renewable energy system based on hydrogen. In bulk form, magnesiu

  11. Barium enema findings of milk allergy in infants

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Gyoung Ju; Kim, Mi Jeong; Lee, Hee Jung [Keimyung University School of Medicine, Daegu (Korea, Republic of)


    We wanted to evaluate the barium enema findings of milk allergy in infants. Retrospective evaluation of the plain abdominal radiography and barium enema findings was performed in fifteen young infants suffering with milk allergy. The presence of gaseous distension, rectal gas, paralytic ileus and mechanical obstruction was evaluated on the plain radiography. The presence of spasm, a transitional zone, a reversed rectosigmoid index and mucosal irregularity was analyzed on the barium enema; the presence of barium retention was also evaluated on 24-hour-delayed plain radiography. Paralytic ileus was the most common finding on the plain radiography (93%). On the barium enema, continuous spasm of the colon, ranging from the rectum to the descending colon, was revealed in ten infants (67%). A transitional zone was observed in one infant and a reversed rectosigmoid index was revealed in four. Mucosal irregularity was observed in two infants. Barium retention was demonstrated in 11 of fifteen cases: throughout the entire colon (n = 3), from the rectum to the descending colon (n = 7), and up to the transverse colon (n = 1). The most common barium enema finding of milk allergy in infants was spasm of the distal colon. The other findings were a transitional zone, a reversed rectosigmoid index, mucosal irregularity and barium retention.

  12. [Silica, aluminum, iron, sulfur, and barium in a urinary calculus]. (United States)

    Rodríguez-Miñón Cifuentes, J L; Salvador, E; Bellanato, J; Medina, J A


    Presentation of the analytical results by Sweep Microscopy of a small papillary calculus spontaneously eliminated after a nephritic colic. The main component is monohydrate calcium oxalate. When the stone core was analyzed with EDAX, silica, aluminium, iron, sulphur and barium were detected. The origin of these elements is discussed and the presence of barium emphasized as exceptional.

  13. Scattering lengths of calcium and barium isotopes

    Energy Technology Data Exchange (ETDEWEB)

    Dammalapati, U.; Willmann, L.; Knoop, S. [Kernfysisch Versneller Instituut (KVI), University of Groningen, Zernikelaan 25, 9747 AA Groningen (Netherlands); LaserLaB Vrije Universiteit, De Boelelaan 1081, 1081 HV Amsterdam (Netherlands)


    We have calculated the s-wave scattering length of all the even isotopes of calcium (Ca) and barium (Ba) in order to investigate the prospect of Bose-Einstein condensation (BEC). For Ca we have used an accurate molecular potential based on detailed spectroscopic data. Our calculations show that Ca does not provide other isotopes alternative to the recently Bose condensed {sup 40}Ca that suffers strong losses because of a very large scattering length. For Ba we show by using a model potential that the even isotopes cover a broad range of scattering lengths, opening the possibility of BEC for at least one of the isotopes.

  14. Barium appendicitis: A single institution review in Japan (United States)

    Katagiri, Hideki; Lefor, Alan Kawarai; Kubota, Tadao; Mizokami, Ken


    AIM To review clinical experience with barium appendicitis at a single institution. METHODS A retrospective review of patients admitted with a diagnosis of acute appendicitis, from January 1, 2013 to December 31, 2015 was performed. Age, gender, computed tomography (CT) scan findings if available, past history of barium studies, pathology, and the presence of perforation or the development of complications were reviewed. If the CT scan revealed high density material in the appendix, the maximum CT scan radiodensity of the material is measured in Hounsfield units (HU). Barium appendicitis is defined as: (1) patients diagnosed with acute appendicitis; (2) the patient has a history of a prior barium study; and (3) the CT scan shows high density material in the appendix. Patients who meet all three criteria are considered to have barium appendicitis. RESULTS In total, 396 patients were admitted with the diagnosis of acute appendicitis in the study period. Of these, 12 patients (3.0%) met the definition of barium appendicitis. Of these 12 patients, the median CT scan radiodensity of material in the appendix was 10000.8 HU, ranging from 3066 to 23423 HU (± 6288.2). In contrast, the median CT scan radiodensity of fecaliths in the appendix, excluding patients with barium appendicitis, was 393.1 HU, ranging from 98 to 2151 HU (± 382.0). The CT scan radiodensity of material in the appendices of patients with barium appendicitis was significantly higher than in patients with nonbarium fecaliths (P < 0.01). CONCLUSION Barium appendicitis is not rare in Japan. Measurement of the CT scan radiodensity of material in the appendix may differentiate barium appendicitis from routine appendicitis.

  15. The Novel Formation of Barium Titanate Nanodendrites

    Directory of Open Access Journals (Sweden)

    Chien-Jung Huang


    Full Text Available The barium titanate (BaTiO3 nanoparticles with novel dendrite-like structures have been successfully fabricated via a simple coprecipitation method, the so-called BaTiO3 nanodendrites (BTNDs. This method was remarkable, fast, simple, and scalable. The growth solution is prepared by barium chloride (BaCl2, titanium tetrachloride (TiCl4, and oxalic acid. The shape and size of BaTiO3 depend on the amount of added BaCl2 solvent. To investigate the influence of amount of BaCl2 on BTNDs, the amount of BaCl2 was varied in the range from 3 to 6 mL. The role of BaCl2 is found to have remarkable influence on the morphology, crystallite size, and formation of dendrite-like structures. The thickness and length of the central stem of BTND were ~300 nm and ~20 μm, respectively. The branchings were found to occur at irregular intervals along the main stem. Besides, the formation mechanism of BTND is proposed and discussed.


    Directory of Open Access Journals (Sweden)

    GRISHINA Anna Nikolaevna


    Full Text Available Cement concretes are the most used materials in modern civil engineering. Due to that such materials draw great attention both in the Russian Federation and abroad. The possibility to enhance the manufacturability and operational properties of concretes results in significant reduction of overall operating costs. Many enhancement methods have been elaborated. Among them there is one based on introduction of calcium hydrosilicates into construction composition. The authors set up a hypothesis that similarity between properties and structures of different hydrosilicates (for example, alkaline earth metals and metals of the second group will provide similar increased operational characteristics. The specialists of Research and Educational Center «Nanotechnology» are developing cement composites nanomodification methods which include introduction of nanodimensional barium hydrosilicates particles. The synthesis of barium hydrosilicates particles can be done with the use of many technologies, different by energy consumption or performing complexity. Taking into account both these factors, one can assume that low-temperature sol-gel synthesis from diluted water solutions is the proper technology. The present paper shows that this assumption is correct. The selection of certain technology is made by the means of multiobjective optimization, which is in turn is performed by the means of linear scalarization. This method, while not always giving the Pareto optimal solutions, can be easily implemented. The particle size distribution is taken into consideration during selection of objectives and weights. It is shown that selected technology allows manufacturing nanoparticles with median size about 30 nm.

  17. Strengthening mechanism of steels treated by barium-bearing alloys

    Institute of Scientific and Technical Information of China (English)

    Zhouhua Jiang; Yang Liu


    The deoxidation, desulfurization, dephosphorization, microstructure, and mechanical properties of steels treated by barium-bearing alloys were investigated in laboratory and by industrial tests. The results show that barium takes part in the deoxidation reaction at the beginning of the experiments, generating oxide and sulfide compound inclusions, which easily float up from the molten steel, leading to the rapid reduction of total oxygen content to a very low level. The desulfurization and dephosphorization capabilities of calcium-bearing alloys increase with the addition of barium. The results of OM and SEM observations and mechanical property tests show that the structure of the steel treated by barium-bearing alloys is refined remarkably, the iamellar thickness of pearlitic structure decreases, and the pearlitic morphology shows clustering distribution. Less barium exists in steel substrate and the enrichment of barium-bearing precipitated phase mostly occurs in grain boundary and phase boundary, which can prevent the movement of grain boundary and dislocation during the heat treatment and the deformation processes. Therefore, the strength and toughness of barium-treated steels are improved by the effect of grain-boundary strengthening and nail-prick dislocation.

  18. The electrochemical impedance of metal hydride electrodes

    DEFF Research Database (Denmark)

    Valøen, Lars Ole; Lasia, Andrzej; Jensen, Jens Oluf


    The electrochemical impedance responses for different laboratory type metal hydride electrodes were successfully modeled and fitted to experimental data for AB5 type hydrogen storage alloys as well as one MgNi type electrode. The models fitted the experimental data remarkably well. Several AC......, explaining the experimental impedances in a wide frequency range for electrodes of hydride forming materials mixed with copper powder, were obtained. Both charge transfer and spherical diffusion of hydrogen in the particles are important sub processes that govern the total rate of the electrochemical...... hydrogen absorption/desorption reaction. To approximate the experimental data, equations describing the current distribution in porous electrodes were needed. Indications of one or more parallel reduction/oxidation processes competing with the electrochemical hydrogen absorption/desorption reaction were...

  19. Nickel metal hydride LEO cycle testing (United States)

    Lowery, Eric


    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.

  20. Barium concentration in grain of Aegilops and Triticum species

    Directory of Open Access Journals (Sweden)

    Denčić Srbislav S.


    Full Text Available The aim of this study was to evaluate the concentration of barium in grain of various Aegilops and Triticum species with different genomes. The studied species differed significantly with respect to the concentration of barium. The grain of wild diploid Aegilops speltoides, the donor of B genome, contained significantly higher Ba concentration than all other analyzed genotypes. Wild and cultivated tetraploid wheats (Triticum diciccoides, Triticum dicoccon, Triticum turgidum and Triticum durum had the lowest Ba concentration in grain. The modern cultivated hexaploid varieties presented substantial variation in grain concentration of barium. The highest Ba concentration (3.42 mg/kg occurred in Serbian winter wheat variety Panonnia.

  1. Plasmonic hydrogen sensing with nanostructured metal hydrides. (United States)

    Wadell, Carl; Syrenova, Svetlana; Langhammer, Christoph


    In this review, we discuss the evolution of localized surface plasmon resonance and surface plasmon resonance hydrogen sensors based on nanostructured metal hydrides, which has accelerated significantly during the past 5 years. We put particular focus on how, conceptually, plasmonic resonances can be used to study metal-hydrogen interactions at the nanoscale, both at the ensemble and at the single-nanoparticle level. Such efforts are motivated by a fundamental interest in understanding the role of nanosizing on metal hydride formation processes in the quest to develop efficient solid-state hydrogen storage materials with fast response times, reasonable thermodynamics, and acceptable long-term stability. Therefore, a brief introduction to the thermodynamics of metal hydride formation is also given. However, plasmonic hydrogen sensors not only are of academic interest as research tool in materials science but also are predicted to find more practical use as all-optical gas detectors in industrial and medical applications, as well as in a future hydrogen economy, where hydrogen is used as a carbon free energy carrier. Therefore, the wide range of different plasmonic hydrogen sensor designs already available is reviewed together with theoretical efforts to understand their fundamentals and optimize their performance in terms of sensitivity. In this context, we also highlight important challenges to be addressed in the future to take plasmonic hydrogen sensors from the laboratory to real applications in devices, including poisoning/deactivation of the active materials, sensor lifetime, and cross-sensitivity toward other gas species.

  2. Chemical abundance analysis of 19 barium stars

    CERN Document Server

    Yang, G C; Spite, M; Chen, Y Q; Zhao, G; Zhang, B; Liu, G Q; Liu, Y J; Liu, N; Deng, L C; Spite, F; Hill, V; Zhang, C X


    We aim at deriving accurate atmospheric parameters and chemical abundances of 19 barium (Ba) stars, including both strong and mild Ba stars, based on the high signal-to-noise ratio and high resolution Echelle spectra obtained from the 2.16 m telescope at Xinglong station of National Astronomical Observatories, Chinese Academy of Sciences. The chemical abundances of the sample stars were obtained from an LTE, plane-parallel and line-blanketed atmospheric model by inputting the atmospheric parameters (effective temperatures, surface gravities, metallicity and microturbulent velocity) and equivalent widths of stellar absorption lines. These samples of Ba stars are giants indicated by atmospheric parameters, metallicities and kinematic analysis about UVW velocity. Chemical abundances of 17 elements were obtained for these Ba stars. Their light elements (O, Na, Mg, Al, Si, Ca, Sc, Ti, V, Cr, Mn and Ni) are similar to the solar abundances. Our samples of Ba stars show obvious overabundances of neutron-capture (n-ca...

  3. Analysis of europium doped luminescent barium thioaluminate

    Institute of Scientific and Technical Information of China (English)

    张东璞; 喻志农; 薛唯; 章婷; 丁瞾; 王武育


    Europium-doped barium thioaluminate sputtering target was synthesized by powder sintering method and thin film was deposited by radio frequency(RF) sputtering.X-ray diffractometer(XRD) pattern indicated that the main compound of the target was BaAl4S7.Oxygen was the main impurity which led to the formation of BaAl2O4.It was shown that both BaAl4S7 and BaAl2S4 were contained in the as-grown thin films and a 471.7 nm emission peak in the PL spectra appeared due to a combination of BaAl4S7:Eu2+ and BaAl2S4:Eu2...

  4. Upper gastrointestinal barium evaluation of duodenal pathology: A pictorial review

    Institute of Scientific and Technical Information of China (English)

    Pankaj; Gupta; Uma; Debi; Saroj; Kant; Sinha; Kaushal; Kishor


    Like other parts of the gastrointestinal tract(GIT), duodenum is subject to a variety of lesions both congenital and acquired. However, unlike other parts of the GIT viz. esophagus, rest of the small intestine and large intestine, barium evaluation of duodenal lesions is technically more challenging and hence not frequently reported. With significant advances in computed tomography technology, a thorough evaluation including intraluminal, mural and extramural is feasible in a single non-invasive examination. Notwithstanding, barium evaluation still remains the initial and sometimes the only imaging study in several parts of the world. Hence,a thorough acquaintance with the morphology of various duodenal lesions on upper gastrointestinal barium examination is essential in guiding further evaluation. We reviewed our experience with various common and uncommon barium findings in duodenal abnormalities.


    Institute of Scientific and Technical Information of China (English)

    Kang Li; Hongchen Gu; Qun Wei


    In the present work, fine barium ferrite powder has been synthesized through a one-step hydrothermal process in an autoclave at [OH-]/[Cl-] ratio of 2:1 in the temperature range from 180 to 260 ℃ using barium chloride (BaCl2), ferrous chloride (FeCl2) and potassium nitrate (KNO3) as the starting materials. Both particle size and saturation magnetization (Ms) increase with increasing hydrothermal reaction temperature, while the intrinsic coercivity (iHc) peaks at 685 Oe at 230 ℃. Morphology progress from the barium ferrite precursor particles to the barium hexaferrite particles has been monitored with increasing hydrothermal reaction time at 230 ℃ in the autoclave.

  6. Peritonite por bário Barium peritonitis

    Directory of Open Access Journals (Sweden)

    Gerson Alves Pereira Júnior


    Full Text Available We report a case of a 49 years-old man who underwent a barium meal examination for an epigastric pain. A perforated gastric ulcer with barium extravasation into peritoneal cavity was seen on X-rays. During an emergency laparotomy, a perforated pyloric ulcer was noted, along with barium contamination in the peritoneal cavity. The ulcer was closed with an omental patch and an extensive peritoneal lavage with saline was performed. During the postoperative period, the patient developed signs of peritonitis and underwent a new laparotomy was at the 9th day showing a subfrenic abscess with a large barium contamination. The patient presented septic shock and multiple organ failure. dying on the 21th day.

  7. Synthesis, photoluminescence and magnetic properties of barium vanadate nanoflowers

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Jing [Department of Applied Physics, Chongqing University, 174 Shapingba Street, Chongqing 400044 (China); Chongqing University of Science and Technology, Chongqing 401331 (China); Hu, Chenguo, E-mail: [Department of Applied Physics, Chongqing University, 174 Shapingba Street, Chongqing 400044 (China); Xi, Yi [Department of Applied Physics, Chongqing University, 174 Shapingba Street, Chongqing 400044 (China); Peng, Chen [School of Physical Science and Technology, Southwest University, Chongqing 400715 (China); Wan, Buyong; He, Xiaoshan [Department of Applied Physics, Chongqing University, 174 Shapingba Street, Chongqing 400044 (China)


    Graphical abstract: The flower-shaped barium vanadate was obtained for the first time. The photoluminescence and magnetic properties of the barium vanadate nanoflowers were investigated at room temperature. Research highlights: {yields} In the paper, the flower-shaped barium vanadate were obtained for the first time. The CHM method used here is new and simple for preparation of barium vanadate. {yields} The photoluminescence and magnetic properties of the barium vanadate nanoflowers were investigated at room temperature. The strong bluish-green emission was observed. {yields} The ferromagnetic behavior of the barium vanadate nanoflowers was found with saturation magnetization of about 83.50 x 10{sup -3} emu/g, coercivity of 18.89 Oe and remnant magnetization of 4.63 x 10{sup -3} emu/g. {yields} The mechanisms of PL and magnetic property of barium vanadate nanoflowers have been discussed. -- Abstract: The flower-shaped barium vanadate has been obtained by the composite hydroxide mediated (CHM) method from V{sub 2}O{sub 5} and BaCl{sub 2} at 200 {sup o}C for 13 h. XRD and XPS spectrum of the as-synthesized sample indicate it is hexagonal Ba{sub 3}V{sub 2}O{sub 8} with small amount of Ba{sub 3}VO{sub 4.8} coexistence. Scan electron microscope and transmission electron microscope display that the flower-shaped crystals are composed of nanosheets with thickness of {approx}20 nm. The UV-visible spectrum shows that the barium vanadate sample has two optical gaps (3.85 eV and 3.12 eV). Photoluminescence spectrum of the barium vanadate flowers exhibits a visible light emission centered at 492 and 525 nm which might be attributed to VO{sub 4} tetrahedron with T{sub d} symmetry in Ba{sub 3}V{sub 2}O{sub 8}. The ferromagnetic behavior of the barium vanadate nanoflowers has been found with saturation magnetization of about 83.50 x 10{sup -3} emu/g, coercivity of 18.89 Oe and remnant magnetization of 4.63 x 10{sup -3} emu/g, which is mainly due to the presence of a non

  8. Solar eclipse sign of intussusception on barium enema. (United States)

    Raveenthiran, V


    The colographic appearance of intussusception is variously described as a claw sign, pincer defect, shouldering effect, and coiled-spring pattern. This report adds a new radiographic sign to the list. An end-on view of an intussusception on barium enema shows a ring of contrast resembling a solar eclipse. Familiarity with this bizarre appearance is desirable, lest it may be mistaken for spillage of barium due to a colonic perforation.

  9. Electrorheological behavior of rare earth-doped barium titanate suspensions

    Institute of Scientific and Technical Information of China (English)


    Doping Y, La, Ce into barium titanate is found to be able to improve its electrorheological (ER) effect in DC electrical field. The yield stress of a typical doped barium titanate/silicone oil suspension is approximately 3.2 -*7〗kPa at 3.5 -*7〗kV/mm, which is 10 times larger than that of pure barium titanate/silicone oil suspensions. The ER effect increases with the decrease of ionic radius of rare earth (RE) dopant when RE concentration remains constant, and the suspensions exhibit a relatively high shear stress when Y, La, Ce mole fractions are 15%, 10%~15%, and 5%, respectively. Dielectric measurements show that the suitable doping with RE element increases dielectric loss of barium titanate and causes very marked dielectric relaxation at low frequency. By measuring X-ray diffraction patterns of doped barium titanate, it is considered that the occurrence of lattice distortion or defects may be responsible for the change of dielectric properties which results in the improvement of ER effect of barium titanate in DC electrical field.

  10. Lifetime Measurement for 6snp Rydberg States of Barium

    Institute of Scientific and Technical Information of China (English)

    SHEN Li; WANG Lei; YANG Hai-Feng; LIU Xiao-Jun; LIU Hong-Ping


    @@ We present a simple and efficient method for measuring the atomic lifetimes in order of tens of microseconds and demonstrate it in the lifetime determination of barium Rydberg states.This method extracts the lifetime information from the time-of-flight spectrum directly, which is much more efficient than other methods such as the time-delayed field ionization and the traditional laser induced fluorescence.The lifetimes determined with our method for barium Rydberg 6snp(n=37-59)series are well coincident with the values deduced from the absolute oscillator strengths of barium which were given in the literature [J.Phys.B 14(1981)4489, 29(1996)655]on experiments.%We present a simple and efficient method for measuring the atomic lifetimes in order of tens of microseconds and demonstrate it in the lifetime determination of barium Rydberg states. This method extracts the lifetime information from the time-of-flight spectrum directly, which is much more efficient than other methods such as the time-delayed field ionization and the traditional laser induced fluorescence. The lifetimes determined with our method for barium Rydberg 6snp (n=37-59) series are well coincident with the values deduced from the absolute oscillator strengths of barium which were given in the literature [J. Phys. B 14 (1981) 4489, 29 (1996) 655] onexperiments.

  11. High energy density battery based on complex hydrides (United States)

    Zidan, Ragaiy


    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.

  12. Method of making crack-free zirconium hydride (United States)

    Sullivan, Richard W.


    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.

  13. Hydrogen storage in the form of metal hydrides (United States)

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


    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.

  14. Electrochemical and Optical Properties of Magnesium-Alloy Hydrides Reviewed

    Directory of Open Access Journals (Sweden)

    Thirugnasambandam G. Manivasagam


    Full Text Available As potential hydrogen storage media, magnesium based hydrides have been systematically studied in order to improve reversibility, storage capacity, kinetics and thermodynamics. The present article deals with the electrochemical and optical properties of Mg alloy hydrides. Electrochemical hydrogenation, compared to conventional gas phase hydrogen loading, provides precise control with only moderate reaction conditions. Interestingly, the alloy composition determines the crystallographic nature of the metal-hydride: a structural change is induced from rutile to fluorite at 80 at.% of Mg in Mg-TM alloy, with ensuing improved hydrogen mobility and storage capacity. So far, 6 wt.% (equivalent to 1600 mAh/g of reversibly stored hydrogen in MgyTM(1-yHx (TM: Sc, Ti has been reported. Thin film forms of these metal-hydrides reveal interesting electrochromic properties as a function of hydrogen content. Optical switching occurs during (dehydrogenation between the reflective metal and the transparent metal hydride states. The chronological sequence of the optical improvements in optically active metal hydrides starts with the rare earth systems (YHx, followed by Mg rare earth alloy hydrides (MgyGd(1-yHx and concludes with Mg transition metal hydrides (MgyTM(1-yHx. In-situ optical characterization of gradient thin films during (dehydrogenation, denoted as hydrogenography, enables the monitoring of alloy composition gradients simultaneously.

  15. Creating nanoshell on the surface of titanium hydride bead

    Directory of Open Access Journals (Sweden)

    PAVLENKO Vyacheslav Ivanovich


    Full Text Available The article presents data on the modification of titanium hydride bead by creating titanium nanoshell on its surface by ion-plasma vacuum magnetron sputtering. To apply titanium nanoshell on the titanium hydride bead vacuum coating plant of multifunctional nanocomposite coatings QVADRA 500 located in the center of high technology was used. Analysis of the micrographs of the original surface of titanium hydride bead showed that the microstructure of the surface is flat, smooth, in addition the analysis of the microstructure of material surface showed the presence of small porosity, roughness, mainly cavities, as well as shallow longitudinal cracks. The presence of oxide film in titanium hydride prevents the free release of hydrogen and fills some micro-cracks on the surface. Differential thermal analysis of both samples was conducted to determine the thermal stability of the initial titanium hydride bead and bead with applied titanium nanoshell. Hydrogen thermal desorption spectra of the samples of the initial titanium hydride bead and bead with applied titanium nanoshell show different thermal stability of compared materials in the temperature range from 550 to 860о C. Titanium nanoshells applied in this way allows increasing the heat resistance of titanium hydride bead – the temperature of starting decomposition is 695о C and temperature when decomposition finishes is more than 1000о C. Modified in this way titanium hydride bead can be used as a filler in the radiation protective materials used in the construction or upgrading biological protection of nuclear power plants.

  16. High ramp rate thermogravimetric analysis of zirconium(II) hydride and titanium(II) hydride

    Energy Technology Data Exchange (ETDEWEB)

    Licavoli, Joseph J., E-mail:; Sanders, Paul G., E-mail:


    Highlights: • A unique arc image device has been proposed for high ramp rate thermogravimetry. • Powder oxidation influences decomposition kinetics at temperatures below 933 K. • Particle size has a negligible effect on TiH{sub 2} decomposition behavior. • Improvements to the device are required to conduct accurate kinetic analysis. - Abstract: Zirconium and titanium hydride are utilized in liquid phase metal foam processing techniques. This application results in immediate exposure to molten metal and almost immediate decomposition at high temperatures. Most decomposition characterization techniques utilize slow heating rates and are unable to capture the decomposition behavior of hydrides under foam processing conditions. In order to address this issue a specialized high ramp rate thermogravimetric analyzer was created from a xenon arc image refiner. In addition to thermogravimetry, complimentary techniques including X-ray diffraction and scanning electron microscopy were used to characterize hydride decomposition and compare the results to literature. Hydrides were partially oxidized and separated into particles size ranges to evaluate the influence of these factors on decomposition. Oxidizing treatments were found to decrease decomposition rate only at temperatures below 933 K (660 °C) while particle size effects appeared to be negligible. Several improvements to the unique TGA apparatus presented in the current work are suggested to allow reliable kinetic modeling and analysis.

  17. Hydride morphology and striation formation during delayed hydride cracking in Zr-2.5% Nb (United States)

    Shek, G. K.; Jovanoviċ, M. T.; Seahra, H.; Ma, Y.; Li, D.; Eadie, R. L.


    These experiments were designed to study hydride formation at the crack tip, acoustic emission (AE), potential drop (PD) and striation formation during DHC (delayed hydride cracking) in Zr-2.5% Nb. The test material was taken from an especially extrude pressure tube, which showed similar strength properties to normal pressure tube material but somewhat coarser microstructure. In testing at KI below 12 MPa √m at both 200 and 250°C very large striations (> 40 μ at 200 and >50 μm at 250°C) were produced. In simultaneous monitoring with acoustic emission and potential drop, both AE and PD jumps were shown to be monolithic. The number of striations on the fracture surface corresponded to the number of monolithic AE/PD jumps. Tapered shaped hydrides with the thick end adjacent to the crack tip were observed. These hydrides grew in size during the incubation period until they reached the striation length and then fractured monolithically. However, when KI was increased beyond about 12 MPa √m for these same specimens, the striation spacing decreased below 30 μ, the monolithic jumping dissolved into more continuous changes in signals, although the smaller striations were still visible on the fracture surface.

  18. ORNL Interim Progress Report on Hydride Reorientation CIRFT Tests

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jy-An John [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Yan, Yong [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wang, Hong [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)


    A systematic study of H. B. Robinson (HBR) high burnup spent nuclear fuel (SNF) vibration integrity was performed in Phase I project under simulated transportation environments, using the Cyclic Integrated Reversible-Bending Fatigue Tester (CIRFT) hot cell testing technology developed at Oak Ridge National Laboratory in 2013–14. The data analysis on the as-irradiated HBR SNF rods demonstrated that the load amplitude is the dominant factor that controls the fatigue life of bending rods. However, previous studies have shown that the hydrogen content and hydride morphology has an important effect on zirconium alloy mechanical properties. To address the effect of radial hydrides in SNF rods, in Phase II a test procedure was developed to simulate the effects of elevated temperatures, pressures, and stresses during transfer-drying operations. Pressurized and sealed fuel segments were heated to the target temperature for a preset hold time and slow-cooled at a controlled rate. The procedure was applied to both non-irradiated/prehydrided and high-burnup Zircaloy-4 fueled cladding segments using the Nuclear Regulatory Commission-recommended 400°C maximum temperature limit at various cooling rates. Before testing high-burnup cladding, four out-of-cell tests were conducted to optimize the hydride reorientation (R) test condition with pre-hydride Zircaloy-4 cladding, which has the same geometry as the high burnup fuel samples. Test HR-HBR#1 was conducted at the maximum hoop stress of 145 MPa, at a 400°C maximum temperature and a 5°C/h cooling rate. On the other hand, thermal cycling was performed for tests HR-HBR#2, HR-HBR#3, and HR-HBR#4 to generate more radial hydrides. It is clear that thermal cycling increases the ratio of the radial hydride to circumferential hydrides. The internal pressure also has a significant effect on the radial hydride morphology. This report describes a procedure and experimental results of the four out-of-cell hydride reorientation tests of

  19. Helium trapping at erbium oxide precipitates in erbium hydride

    Energy Technology Data Exchange (ETDEWEB)

    Foiles, Stephen M. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Battaile, Corbett Chandler [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)


    The formation of He bubbles in erbium tritides is a significant process in the aging of these materials. Due to the long-standing uncertainty about the initial nucleation process of these bubbles, there is interest in mechanisms that can lead to the localization of He in erbium hydrides. Previous work has been unable to identify nucleation sites in homogeneous erbium hydride. This work builds on the experimental observation that erbium hydrides have nano- scale erbium oxide precipitates due to the high thermodynamic stability of erbium oxide and the ubiquitous presence of oxygen during materials processing. Fundamental DFT calculations indicate that the He is energetically favored in the oxide relative to the bulk hydride. Activation energies for the motion of He in the oxide and at the oxide-hydride interface indicate that trapping is kinetically feasible. A simple kinetic Monte Carlo model is developed that demonstrates the degree of trapping of He as a function of temperature and oxide fraction.

  20. Growth and decomposition of Lithium and Lithium hydride on Nickel

    DEFF Research Database (Denmark)

    Engbæk, Jakob; Nielsen, Gunver; Nielsen, Jane Hvolbæk


    In this paper we have investigated the deposition, structure and decomposition of lithium and lithium-hydride films on a nickel substrate. Using surface sensitive techniques it was possible to quantify the deposited Li amount, and to optimize the deposition procedure for synthesizing lithium......-hydride films. By only making thin films of LiH it is possible to study the stability of these hydride layers and compare it directly with the stability of pure Li without having any transport phenomena or adsorbed oxygen to obscure the results. The desorption of metallic lithium takes place at a lower...... temperature than the decomposition of the lithium-hydride, confirming the high stability and sintering problems of lithium-hydride making the storage potential a challenge. (c) 2006 Elsevier B.V. All rights reserved....

  1. Metal hydrides for concentrating solar thermal power energy storage (United States)

    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.


    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.

  2. Results of NDE Technique Evaluation of Clad Hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Kunerth, Dennis C. [Idaho National Lab. (INL), Idaho Falls, ID (United States)


    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

  3. Nanoindentation measurements of the mechanical properties of zirconium matrix and hydrides in unirradiated pre-hydrided nuclear fuel cladding (United States)

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


    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.

  4. Highly Concentrated Palladium Hydrides/Deuterides; Theory

    Energy Technology Data Exchange (ETDEWEB)

    Papaconstantopoulos, Dimitrios


    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

  5. Lithium hydride - A space age shielding material (United States)

    Welch, F. H.


    Men and materials performing in the environment of an operating nuclear reactor require shielding from the escaping neutron particles and gamma rays. For efficient shielding from gamma rays, dense, high atomic number elements such as iron, lead, or tungsten are required, whereas light, low atomic number elements such as hydrogen, lithium, or beryllium are required for efficient neutron shielding. The use of lithium hydride (LiH) as a highly efficient neutron-shielding material is considered. It contains, combined into a single, stable compound, two of the elements most effective in attenuating and absorbing neutrons.

  6. Development of nickel-metal hydride cell (United States)

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


    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.

  7. Thermal decomposition of barium valerate in argon

    DEFF Research Database (Denmark)

    Torres, P.; Norby, Poul; Grivel, Jean-Claude


    degrees C and evidence was found for the solidification of the melt at 380-440 degrees C, i.e. simultaneously with the onset of decomposition. Between 400 degrees C and 520 degrees C (Ba(C4H9CO2)(2) decomposes in two main steps, first into BaCO3 with release of C4H9COC4H9 (5-nonanone), whereas final......The thermal decomposition of barium valerate (Ba(C4H9CO2)(2)/Ba-pentanoate) was studied in argon by means of thermogravimetry, differential thermal analysis, IR-spectroscopy, X-ray diffraction and hot-stage optical microscopy. Melting takes place in two different steps, at 200 degrees C and 280...... conversion to BaO takes place with release of CO2. Elemental carbon that is left as a by-product is finally slowly burned by the residual oxygen present in the Ar atmosphere. (C) 2015 Elsevier B.V. All rights reserved....

  8. Chemical compositions of four barium stars

    CERN Document Server

    Liang, Y C; Chen, Y Q; Qiu, H M; Zhang, B


    Chemical compositions of four barium stars HD 26886, HD 27271, HD 50082 and HD 98839 are studied based on high resolution, high signal-to-noise Echelle spectra. Results show that all of them are disk stars. Their \\alpha and iron peak elements are similar to the solar abundances. The neutron-capture process elements are overabundant relative to the Solar. The heavy-element abundances of the strong Ba star HD 50082 are higher than those of other three mild Ba stars. Its mass is 1.32Msun (+0.28,-0.22Msun), and is consistent with the average mass of strong Ba stars (1.5Msun). For mild Ba star HD 27271 and HD 26886, the derived masses are 1.90Msun (+0.25,-0.20Msun) and 2.78Msun (+0.75,-0.78M_sun), respectively, which are consistent with the average mass of mild Ba stars. We also calculate the theoretical abundances of Ba stars by combining the AGB stars nucleosynthesis and wind accretion formation scenario of Ba binary systems. The comparisons between the observed abundance patterns of the sample stars with the th...

  9. From permanent magnets to rechargeable hydride electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Willems, J.J.G.; Buschow, K.H.J.


    A brief historical survey is given of how the study of coercitivity mechanisms in SmCo/sub 5/ permanent-magnet materials eventually led to the discovery of the favourable hydrogen sorption properties of the compound LaNi/sub 5/. It is shown how continued research by many investigators dealing with a variety of different physical and chemical properties has resulted in an advanced understanding of some of the principles that govern hydrogen absorption and which are responsible for the changes in physical properties that accompany it. The problems associated with various applications of LaNi/sub 5/-based hydrogen-storage materials are also briefly discussed. A large part of this paper is devoted to the applicability of LaNi/sub 5/-type materials in batteries. Research in this area has resulted in the development of a new type of rechargeable battery: the nickel-hydride cell. This battery can be charged and discharged at high rates and is relatively insensitive to overcharging and overdischarging. Special attention is given to the nature of the electrode degradation process and the effect of composition variations in LaNi/sub 5/-related materials on the lifetime of the corresponding hydride electrodes when subjected to severe electrochemical charge-discharge cycles.

  10. NATO Advanced Study Institute on Metal Hydrides

    CERN Document Server


    In the last five years, the study of metal hydrides has ex­ panded enormously due to the potential technological importance of this class of materials in hydrogen based energy conversion schemes. The scope of this activity has been worldwide among the industrially advanced nations. There has been a consensus among researchers in both fundamental and applied areas that a more basic understanding of the properties of metal/hydrogen syster;,s is required in order to provide a rational basis for the selection of materials for specific applications. The current worldwide need for and interest in research in metal hydrides indicated the timeliness of an Advanced Study Insti­ tute to provide an in-depth view of the field for those active in its various aspects. The inclusion of speakers from non-NATO coun­ tries provided the opportunity for cross-fertilization of ideas for future research. While the emphasis of the Institute was on basic properties, there was a conscious effort to stimulate interest in the applic...

  11. Metal hydrides for lithium-ion batteries. (United States)

    Oumellal, Y; Rougier, A; Nazri, G A; Tarascon, J-M; Aymard, L


    Classical electrodes for Li-ion technology operate via an insertion/de-insertion process. Recently, conversion electrodes have shown the capability of greater capacity, but have so far suffered from a marked hysteresis in voltage between charge and discharge, leading to poor energy efficiency and voltages. Here, we present the electrochemical reactivity of MgH(2) with Li that constitutes the first use of a metal-hydride electrode for Li-ion batteries. The MgH(2) electrode shows a large, reversible capacity of 1,480 mAh g(-1) at an average voltage of 0.5 V versus Li(+)/Li(o) which is suitable for the negative electrode. In addition, it shows the lowest polarization for conversion electrodes. The electrochemical reaction results in formation of a composite containing Mg embedded in a LiH matrix, which on charging converts back to MgH(2). Furthermore, the reaction is not specific to MgH(2), as other metal or intermetallic hydrides show similar reactivity towards Li. Equally promising, the reaction produces nanosized Mg and MgH(2), which show enhanced hydrogen sorption/desorption kinetics. We hope that such findings can pave the way for designing nanoscale active metal elements with applications in hydrogen storage and lithium-ion batteries.

  12. Molecular rare-earth-metal hydrides in non-cyclopentadienyl environments. (United States)

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


    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.

  13. Both barium and calcium activate neuronal potassium currents

    Energy Technology Data Exchange (ETDEWEB)

    Ribera, A.B.; Spitzer, N.C.


    Amphibian spinal neurons in culture possess both rapidly inactivating and sustained calcium-dependent potassium current components, similar to those described for other cells. Divalent cation-dependent whole-cell outward currents were isolated by subtracting the voltage-dependent potassium currents recorded from Xenopus laevis neurons in the presence of impermeant cadmium from the currents produced without cadmium but in the presence of permeant divalent cations. These concentrations of permeant ions were low enough to avoid contamination by macroscopic inward currents through calcium channels. Calcium-dependent potassium currents were reduced by 1 tetraethylammonium. These currents can also be activated by barium or strontium. Barium as well as calcium activated outward currents in young neurons (6-8 hr) and in relatively mature neurons (19-26 hr in vitro). However, barium influx appeared to suppress the sustained voltage-dependent potassium current in most cells. Barium also activated at least one class of potassium channels observed in excised membrane patches, whole blocking others. The blocking action may have masked and hindered detection of the stimulatory action of barium in other systems.

  14. Technical and economic aspects of hydrogen storage in metal hydrides (United States)

    Schmitt, R.


    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.

  15. Durability of Alite-calcium Barium Sulphoaluminate Cement

    Institute of Scientific and Technical Information of China (English)

    LU Lingchao; LU Zeye; LIU Shiquan; WANG Shoude; CHENG Xin


    The durability of the cement was mainly studied.Under 1.0 MPa of hydraulic pressure for 8 hours,water could penetrate completely through the sample made by portland cement,but could not penetrate through that by alite-barium sulphoaluminate cement.Under the condition of freezing and thawing cycle,the loss ratio of compressive strength of the cement was only about 17.3%at curing 28 d ages,but the loss of portland cement was as high as 29.5%.Alite-calcium bar-ium sulphoaluminate cement also has an excellent resistance to sulfate attack.The coefficients of resistance to sulfate attack of the cement exceeded 1.0.Meanwhile,the composition and microstructure of the hardened paste of alite-calcium barium sulphoaluminate cement were analyzed by XRD and SEM.

  16. Barium titanate thick films prepared by screen printing technique

    Directory of Open Access Journals (Sweden)

    Mirjana M. Vijatović


    Full Text Available The barium titanate (BaTiO3 thick films were prepared by screen printing technique using powders obtained by soft chemical route, modified Pechini process. Three different barium titanate powders were prepared: i pure, ii doped with lanthanum and iii doped with antimony. Pastes for screen printing were prepared using previously obtained powders. The thick films were deposited onto Al2O3 substrates and fired at 850°C together with electrode material (silver/palladium in the moving belt furnace in the air atmosphere. Measurements of thickness and roughness of barium titanate thick films were performed. The electrical properties of thick films such as dielectric constant, dielectric losses, Curie temperature, hysteresis loop were reported. The influence of different factors on electrical properties values was analyzed.

  17. Deoxidation Behavior of Alloys Bearing Barium in Molten Steel

    Institute of Scientific and Technical Information of China (English)

    LI Yang; JIANG Zhou-hua; JIANG Mao-fa; WANG Jun-wen; GU Wen-bing


    The deoxidation behaviors of alloys bearing barium in pipe steel were researched with MgO crucible under argon atmosphere in MoSi2 furnace at 1 873 K. The total oxygen contents of molten steel, the distribution, size and morphology of deoxidation products in the steel were surveyed. The metamorphic mechanism for deoxidation products of alloy bearing barium was also discussed. The results show that applying alloy bearing barium to the pipe steel, very low total oxygen contents can be obtained, and deoxidation products, which easily float up from molten steel, can be changed into globular shape and uniformly distributed in steel. The equilibrium time of total oxygen is about 25 min, and the terminal total oxygen contents range from 0.002 0 % to 0.002 2 % after treating with SiCa wire. The best deoxidizers are SiAlBaCa and SiAlBaCaSr.

  18. Barium-borate-flyash glasses: As radiation shielding materials (United States)

    Singh, Sukhpal; Kumar, Ashok; Singh, Devinder; Thind, Kulwant Singh; Mudahar, Gurmel S.


    The attenuation coefficients of barium-borate-flyash glasses have been measured for γ-ray photon energies of 356, 662, 1173 and 1332 keV using narrow beam transmission geometry. The photon beam was highly collimated and overall scatter acceptance angle was less than 3°. Our results have an uncertainty of less than 3%. These coefficients were then used to obtain the values of mean free path (mfp), effective atomic number and electron density. Good agreements have been observed between experimental and theoretical values of these parameters. From the studies of the obtained results it is reported here that from the shielding point of view the barium-borate-flyash glasses are better shields to γ-radiations in comparison to the standard radiation shielding concretes and also to the ordinary barium-borate glasses.

  19. 75 FR 36629 - Barium Chloride From the People's Republic of China: Continuation of Antidumping Duty Order (United States)


    ... International Trade Administration Barium Chloride From the People's Republic of China: Continuation of... China: Final Results of Expedited Third Sunset Review of Antidumping Duty Order, 74 FR 55814 (October 29... Barium Chloride From China, 75 FR 33824 (June 15, 2010), and Barium Chloride from China (Inv. No....

  20. Esophageal intramural pseudodiverticulosis characterized by barium esophagography: a case report

    LENUS (Irish Health Repository)

    O'Connor, Owen J


    Abstract Introduction Esophageal intramural pseudodiverticulosis is a rare condition characterized by the dilatation of the submucosal glands. Case presentation We present a case of esophageal intramural pseudodiverticulosis in a 72-year-old Caucasian man who presented with dysphagia and with a background history of alcohol abuse. An upper gastrointestinal endoscopy of our patient showed an esophageal stricture with abnormal mucosal appearances, but no malignant cells were seen at biopsy. Appearances on a barium esophagram were pathognomonic for esophageal intramural pseudodiverticulosis. Conclusion We demonstrate the enduring usefulness of barium esophagography in the characterization of abnormal mucosal appearances at endoscopy.

  1. Photoionization and Photoelectric Loading of Barium Ion Traps

    CERN Document Server

    Steele, A V; Churchill, L R; Griffin, P F


    Simple and effective techniques for loading barium ions into linear Paul traps are demonstrated. Two-step photoionization of neutral barium is achieved using a weak intercombination line (6s2 1S0 6s6p 3P1, 791 nm) followed by excitation above the ionization threshold using a nitrogen gas laser (337 nm). Isotopic selectivity is achieved by using a near Doppler-free geometry for excitation of the triplet 6s6p 3P1 state. Additionally, we report a particularly simple and efficient trap loading technique that employs an in-expensive UV epoxy curing lamp to generate photoelectrons.

  2. Hydrogen desorption from nanostructured magnesium hydride composites

    Directory of Open Access Journals (Sweden)

    Brdarić Tanja P.


    Full Text Available The influence of 3d transition metal addition (Fe, Co and Ni on the desorption properties of magnesium hydride were studied. The ball milling of MgH2-3d metal blends was performed under Ar. Microstructural and morphological characterization were performed by XRD and SEM analysis, while the hydrogen desorption properties were investigated by DSC. The results show a strong correlation between the morphology and thermal stability of the composites. The complex desorption behavior (the existence of more than one desorption peak was correlated with the dispersion of the metal additive particles that appear to play the main role in the desorption. The desorption temperature can be reduced by more than 100 degrees if Fe is added as additive. The activation energy for H2 desorption from the MgH2-Fe composite is 120 kJ/mol, implying that diffusion controls the dehydration process.

  3. Structure and bonding of second-row hydrides


    Blinder, S. M.


    The atomic orbitals, hybridization and chemical bonding of the most common hydrides of boron, carbon, nitrogen and oxygen are described. This can be very instructive for beginning students in chemistry and chemical physics.

  4. Out-of-pile accelerated hydriding of Zircaloy fasteners

    Energy Technology Data Exchange (ETDEWEB)

    Clayton, J.C.


    Mechanical joints between Zircaloy and nickel-bearing alloys, mainly the Zircaloy-4/Inconel-600 combination, were exposed to water at 450/sup 0/F and 520/sup 0/F to study hydriding of Zircaloy in contact with a dissimilar metal. Accelerated hydriding of the Zircaloy occurred at both temperatures. At 450/sup 0/F the dissolved hydrogen level of the water was over ten times that at 520/sup 0/F. At 520/sup 0/F the initially high hydrogen ingress rate decreased rapidly as exposure time increased and was effectively shut off in about 25 days. Severely hydrided Zircaloy components successfully withstood thermal cycling and mechanical testing. Chromium plating of the nickel-bearing parts was found to be an effective and practical barrier in preventing nickel-alloy smearing and accelerated hydriding of Zircaloy.

  5. Artificial exomuscle investigations for applications--metal hydride. (United States)

    Crevier, Marie-Charlotte; Richard, Martin; Rittenhouse, D Matheson; Roy, Pierre-Olivier; Bédard, Stéphane


    In pursuing the development of bionic devices, Victhom identified a need for technologies that could replace current motorized systems and be better integrated into the human body motion. The actuators used to obtain large displacements are noisy, heavy, and do not adequately reproduce human muscle behavior. Subsequently, a project at Victhom was devoted to the development of active materials to obtain an artificial exomuscle actuator. An exhaustive literature review was done at Victhom to identify promising active materials for the development of artificial muscles. According to this review, metal hydrides were identified as a promising technology for artificial muscle development. Victhom's investigations focused on determining metal hydride actuator potential in the context of bionics technology. Based on metal hydride properties and artificial muscle requirements such as force, displacement and rise time, an exomuscle was built. In addition, a finite element model, including heat and mass transfer in the metal hydride, was developed and implemented in FEMLAB software.


    Directory of Open Access Journals (Sweden)

    Yu. Kluchka


    Full Text Available Experimental dependence of the pressure of hydrogen in the hydride cartridge when it is heated is obtained. Experimental data prove the theoretical values with an accuracy of ≈ 6%.

  7. Bipolar Nickel-Metal Hydride Battery Being Developed (United States)

    Manzo, Michelle A.


    The NASA Lewis Research Center has contracted with Electro Energy, Inc., to develop a bipolar nickel-metal hydride battery design for energy storage on low-Earth-orbit satellites. The objective of the bipolar nickel-metal hydride battery development program is to approach advanced battery development from a systems level while incorporating technology advances from the lightweight nickel electrode field, hydride development, and design developments from nickel-hydrogen systems. This will result in a low-volume, simplified, less-expensive battery system that is ideal for small spacecraft applications. The goals of the program are to develop a 1-kilowatt, 28-volt (V), bipolar nickel-metal hydride battery with a specific energy of 100 watt-hours per kilogram (W-hr/kg), an energy density of 250 W-hr/liter and a 5-year life in low Earth orbit at 40-percent depth-of-discharge.

  8. High-pressure synthesis of noble metal hydrides. (United States)

    Donnerer, Christian; Scheler, Thomas; Gregoryanz, Eugene


    The formation of hydride phases in the noble metals copper, silver, and gold was investigated by in situ x-ray diffraction at high hydrogen pressures. In the case of copper, a novel hexagonal hydride phase, Cu2H, was synthesised at pressures above 18.6 GPa. This compound exhibits an anti-CdI2-type structure, where hydrogen atoms occupy every second layer of octahedral interstitial sites. In contrast to chemically produced CuH, this phase does not show a change in compressibility compared to pure copper. Furthermore, repeated compression (after decomposition of Cu2H) led to the formation of cubic copper hydride at 12.5 GPa, a phenomenon attributed to an alteration of the microstructure during dehydrogenation. No hydrides of silver (up to 87 GPa) or gold (up to 113 GPa) were found at both room and high temperatures.

  9. Artificial exomuscle investigations for applications-metal hydride

    Energy Technology Data Exchange (ETDEWEB)

    Crevier, Marie-Charlotte; Richard, Martin; Rittenhouse, D Matheson; Roy, Pierre-Olivier; Bedard, Stephane [Victhom Human Bionics Inc., Saint-Augustin-de-Desmaures, QC (Canada)


    In pursuing the development of bionic devices, Victhom identified a need for technologies that could replace current motorized systems and be better integrated into the human body motion. The actuators used to obtain large displacements are noisy, heavy, and do not adequately reproduce human muscle behavior. Subsequently, a project at Victhom was devoted to the development of active materials to obtain an artificial exomuscle actuator. An exhaustive literature review was done at Victhom to identify promising active materials for the development of artificial muscles. According to this review, metal hydrides were identified as a promising technology for artificial muscle development. Victhom's investigations focused on determining metal hydride actuator potential in the context of bionics technology. Based on metal hydride properties and artificial muscle requirements such as force, displacement and rise time, an exomuscle was built. In addition, a finite element model, including heat and mass transfer in the metal hydride, was developed and implemented in FEMLAB software. (review article)

  10. Hydrogen storage in sodium aluminum hydride.

    Energy Technology Data Exchange (ETDEWEB)

    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.


    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.

  11. Method of selective reduction of polyhalosilanes with alkyltin hydrides (United States)

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


    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.

  12. Method of selective reduction of halodisilanes with alkyltin hydrides (United States)

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


    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.

  13. Ab-Initio Study of the Group 2 Hydride Anions (United States)

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


    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)

  14. Electronic structure of ternary hydrides based on light elements

    Energy Technology Data Exchange (ETDEWEB)

    Orgaz, E. [Departamento de Fisica y Quimica Teorica, Facultad de Quimica, Universidad Nacional Autonoma de Mexico, CP 04510 Coyoacan, Mexico, D.F. (Mexico)]. E-mail:; Membrillo, A. [Departamento de Fisica y Quimica Teorica, Facultad de Quimica, Universidad Nacional Autonoma de Mexico, CP 04510 Coyoacan, Mexico, D.F. (Mexico); Castaneda, R. [Departamento de Fisica y Quimica Teorica, Facultad de Quimica, Universidad Nacional Autonoma de Mexico, CP 04510 Coyoacan, Mexico, D.F. (Mexico); Aburto, A. [Departamento de Fisica, Facultad de Ciencias, Universidad Nacional Autonoma de Mexico, CP 04510 Coyoacan, Mexico, D.F. (Mexico)


    Ternary hydrides based on light elements are interesting owing to the high available energy density. In this work we focused into the electronic structure of a series of known systems having the general formula AMH{sub 4}(A=Li,Na,M=B,Al). We computed the energy bands and the total and partial density of states using the linear-augmented plane waves method. In this report, we discuss the chemical bonding in this series of complex hydrides.

  15. Electronic structure and optical properties of lightweight metal hydrides

    NARCIS (Netherlands)

    Setten, van M.J.; Popa, V.A.; Wijs, de G.A.; Brocks, G.


    We study the dielectric functions of the series of simple hydrides LiH, NaH, MgH2, and AlH3, and of the complex hydrides Li3AlH6, Na3AlH6, LiAlH4, NaAlH4, and Mg(AlH4)2, using first-principles density-functional theory and GW calculations. All compounds are large gap insulators with GW single-partic

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

    Energy Technology Data Exchange (ETDEWEB)

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


    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

  17. Metal Hydrides for High-Temperature Power Generation

    Directory of Open Access Journals (Sweden)

    Ewa C. E. Rönnebro


    Full Text Available 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 the need to produce electricity, such as during night time, a cloudy day or during peak hours. We proceeded from selecting a high-energy density HT-hydride based on performance characterization on gram-sized samples scaled up to kilogram quantities with retained performance. 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 ~200-kWh/m3 bench-scale prototype was designed and fabricated, and we demonstrated the ability to meet or exceed all performance targets.

  18. Novel fuel cell stack with coupled metal hydride containers (United States)

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


    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.

  19. The use of metal hydrides in fuel cell applications

    Directory of Open Access Journals (Sweden)

    Mykhaylo V. Lototskyy


    Full Text Available This paper reviews state-of-the-art developments in hydrogen energy systems which integrate fuel cells with metal hydride-based hydrogen storage. The 187 reference papers included in this review provide an overview of all major publications in the field, as well as recent work by several of the authors of the review. The review contains four parts. The first part gives an overview of the existing types of fuel cells and outlines the potential of using metal hydride stores as a source of hydrogen fuel. The second part of the review considers the suitability and optimisation of different metal hydrides based on their energy efficient thermal integration with fuel cells. The performances of metal hydrides are considered from the viewpoint of the reversible heat driven interaction of the metal hydrides with gaseous H2. Efficiencies of hydrogen and heat exchange in hydrogen stores to control H2 charge/discharge flow rates are the focus of the third section of the review and are considered together with metal hydride – fuel cell system integration issues and the corresponding engineering solutions. Finally, the last section of the review describes specific hydrogen-fuelled systems presented in the available reference data.

  20. Metal hydrides based high energy density thermal battery

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Zhigang Zak, E-mail: [Department of Metallurgical Engineering, The University of Utah, 135 South 1460 East, Room 412, Salt Lake City, UT 84112-0114 (United States); Zhou, Chengshang; Fan, Peng [Department of Metallurgical Engineering, The University of Utah, 135 South 1460 East, Room 412, Salt Lake City, UT 84112-0114 (United States); Udell, Kent S. [Department of Metallurgical Engineering, The University of Utah, 50 S. Central Campus Dr., Room 2110, Salt Lake City, UT 84112-0114 (United States); Bowman, Robert C. [Department of Metallurgical Engineering, The University of Utah, 135 South 1460 East, Room 412, Salt Lake City, UT 84112-0114 (United States); Vajo, John J.; Purewal, Justin J. [HRL Laboratories, LLC, 3011 Malibu Canyon Road, Malibu, CA 90265 (United States); Kekelia, Bidzina [Department of Metallurgical Engineering, The University of Utah, 50 S. Central Campus Dr., Room 2110, Salt Lake City, UT 84112-0114 (United States)


    Highlights: • The principle of the thermal battery using advanced metal hydrides was demonstrated. • The thermal battery used MgH{sub 2} and TiMnV as a working pair. • High energy density can be achieved by the use of MgH{sub 2} to store thermal energy. - Abstract: A concept of thermal battery based on advanced metal hydrides was studied for heating and cooling of cabins in electric vehicles. The system utilized a pair of thermodynamically matched metal hydrides as energy storage media. The pair of hydrides that was identified and developed was: (1) catalyzed MgH{sub 2} as the high temperature hydride material, due to its high energy density and enhanced kinetics; and (2) TiV{sub 0.62}Mn{sub 1.5} alloy as the matching low temperature hydride. Further, a proof-of-concept prototype was built and tested, demonstrating the potential of the system as HVAC for transportation vehicles.

  1. Trialkylborane-Assisted CO(2) Reduction by Late Transition Metal Hydrides. (United States)

    Miller, Alexander J M; Labinger, Jay A; Bercaw, John E


    Trialkylborane additives promote reduction of CO(2) to formate by bis(diphosphine) Ni(II) and Rh(III) hydride complexes. The late transition metal hydrides, which can be formed from dihydrogen, transfer hydride to CO(2) to give a formate-borane adduct. The borane must be of appropriate Lewis acidity: weaker acids do not show significant hydride transfer enhancement, while stronger acids abstract hydride without CO(2) reduction. The mechanism likely involves a pre-equilibrium hydride transfer followed by formation of a stabilizing formate-borane adduct.

  2. Barium Ferrite Films Grown By Pulsed Laser Ablation

    NARCIS (Netherlands)

    Lisfi, A.; Lodder, J.C.; Haan, de P.; Roesthuis, F.J.G.


    Abstract available only. It is known that barium ferrite (BaFe12019) can grow with perpendicular anisotropy on A1203 a single crystal substrate,' but also on an amorphous substrate by using a ZnO buffer.2 Because of its large magnetic anisotropy which can easily overcome the shape anisotropy of the

  3. Synthesis of Nanocrystalline Barium Ferrite in Ethanol/Water Media

    Institute of Scientific and Technical Information of China (English)

    M.Montazeri-Pour; A.Ataie


    Nanocrystalline particles of barium ferrite magnetic material have been prepared by co-precipitation route using aqueous and non-aqueous solutions of iron and barium chlorides with a Fe/Ba molar ratio of 11 and subsequent drying-annealing treatment. Water and ethanol/water mixture with volume ratio of 3:1 were used as solvents in the process. Coprecipitated powders were annealed at various temperatures for 1 h. FTIR (Fourier transform infrared spectroscopy), XRD (X-ray diffraction), DTA/TGA (differential thermal analy-sis/thermogravimetric analysis) and SEM (scanning electron microscopy) techniques were used to evaluate powder particle characteristics. DTA/TGA results confirmed by those obtained from XRD indicated that the formation of barium ferrite occurs in sample synthesized in ethanol/water solution at a relatively low temperature of 631℃. Nano-size particles of barium ferrite with mean particle size of almost 75 and 100 nm were observed in the SEM micrographs of the samples synthesized in ethanol/water solution after annealing at 700 and 800℃ for 1 h, respectively.

  4. Heavy ion recoil spectrometry of barium strontium titanate films (United States)

    Stannard, W. B.; Johnston, P. N.; Walker, S. R.; Bubb, I. F.; Scott, J. F.; Cohen, D. D.; Dytlewski, N.; Martin, J. W.


    Thin films of barium strontium titanate have been analysed using heavy ion recoil spectrometry with 77 and 98 MeV 127I ions at the new heavy ion recoil facility at ANSTO, Lucas Heights. New calibration procedures have been developed for quantitative analysis. Energy spectra for each of the elements present reveal interdiffusion that was not previously known.

  5. Magnetoelastic coupling in epitaxial cobalt ferrite/barium titanate heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Gräfe, Joachim; Welke, Martin [Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, Linnéstraße 2, 04103 Leipzig (Germany); Bern, Francis; Ziese, Michael [Institut für Experimentelle Physik II, Universität Leipzig, Linnéstraße 5, 04103 Leipzig (Germany); Denecke, Reinhard, E-mail: [Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Universität Leipzig, Linnéstraße 2, 04103 Leipzig (Germany)


    Ultra-thin cobalt ferrite films have been synthesised on ferroelectric barium titanate crystals. The cobalt ferrite films exhibit a magnetic response to strain induced by structural changes in the barium titanate substrate, suggesting a pathway to multiferroic coupling. These structural changes are achieved by heating through the phase transition temperatures of barium titanate. In addition the ferromagnetic signal of the substrate itself is taken into account, addressing the influence of impurities or defects in the substrate. The cobalt ferrite/barium titanate heterostructure is a suitable oxidic platform for future magnetoelectric applications with an established ferroelectric substrate and widely tuneable magnetic properties by changing the transition metal in the ferrite film. - Highlights: ► Ultra-thin CoFe{sub 2}O{sub 4} films grown on ferroelectric BaTiO{sub 3} crystals by PLD. ► Magnetic response to structural changes of BaTiO{sub 3} at transition temperatures. ► Significant magneto-elastic coupling of in-plane magnetisation in SQUID experiments. ► Clear distinction between contribution by BaTiO{sub 3} substrate and by CoFe{sub 2}O{sub 4} film.

  6. CNO and F abundances in the barium star HD 123396

    CERN Document Server

    Alves-Brito, Alan; Yong, David; Meléndez, Jorge; Vásquez, Sergio


    [Abridged] Barium stars are moderately rare chemically peculiar objects which are believed to be the result of the pollution of an otherwise normal star by material from an evolved companion on the asymptotic giant branch (AGB). We aim to derive carbon, nitrogen, oxygen, and fluorine abundances for the first time from infrared spectra of the barium red giant star HD 123396 to quantitatively test AGB nucleosynthesis models for producing barium stars via mass accretion. High-resolution and high S/N infrared spectra were obtained using the Phoenix spectrograph mounted at the Gemini South telescope. The abundances were obtained through spectrum synthesis of individual atomic and molecular lines, using the MOOG stellar line analysis program together with Kurucz's stellar atmosphere models. The analysis was classical, using 1D stellar models and spectral synthesis under the assumption of local thermodynamic equilibrium. We confirm that HD 123396 is a metal-deficient barium star ([Fe/H] = -1.05), with A(C) = 7.88, A...

  7. Excitation energies of barium oxide bands measured in flames

    NARCIS (Netherlands)

    Hurk, J. van der; Hollander, Tj.; Alkemade, C.T.J.


    Experiments are described that yield additional information about the excitation energy of visible barium oxide bands appearing in flames. Excitation energy differences are derived directly from the ratios of thermal band intensities as a function of temperature and agree with the value calculated f

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

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Zhihua [The Hong Kong Polytechnic University, Shenzhen Research Institute, Shenzhen (China); PolyU Base (Shenzhen) Limited, Shenzhen (China); Department of Mechanical Engineering, Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong (China); Hao, Mingjun [The Hong Kong Polytechnic University, Shenzhen Research Institute, Shenzhen (China); Department of Mechanical Engineering, Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong (China); Guo, Xianghua [State Key Laboratory of Explosion and Safety Science, Beijing Institute of Technology, Beijing 100081 (China); Tang, Guoyi [Advanced Materials Institute, Graduate School at Shenzhen, Tsinghua University, Shenzhen 518055 (China); Shi, San-Qiang, E-mail: [The Hong Kong Polytechnic University, Shenzhen Research Institute, Shenzhen (China); PolyU Base (Shenzhen) Limited, Shenzhen (China); Department of Mechanical Engineering, Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong (China)


    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.

  9. Designing metal hydride complexes for water splitting reactions: a molecular electrostatic potential approach. (United States)

    Sandhya, K S; Suresh, Cherumuttathu H


    The hydridic character of octahedral metal hydride complexes of groups VI, VII and VIII has been systematically studied using molecular electrostatic potential (MESP) topography. The absolute minimum of MESP at the hydride ligand (Vmin) and the MESP value at the hydride nucleus (VH) are found to be very good measures of the hydridic character of the hydride ligand. The increasing/decreasing electron donating feature of the ligand environment is clearly reflected in the increasing/decreasing negative character of Vmin and VH. The formation of an outer sphere metal hydride-water complex showing the HH dihydrogen interaction is supported by the location and the value of Vmin near the hydride ligand. A higher negative MESP suggested lower activation energy for H2 elimination. Thus, MESP features provided a way to fine-tune the ligand environment of a metal-hydride complex to achieve high hydridicity for the hydride ligand. The applicability of an MESP based hydridic descriptor in designing water splitting reactions is tested for group VI metal hydride model complexes of tungsten.

  10. Chemical Hydride Slurry for Hydrogen Production and Storage

    Energy Technology Data Exchange (ETDEWEB)

    McClaine, Andrew W


    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

  11. Micro-scale fracture experiments on zirconium hydrides and phase boundaries (United States)

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


    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.

  12. Hydrogen storage as a hydride. Citations from the International Aerospace Abstracts data base (United States)

    Zollars, G. F.


    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.

  13. Numerical simulation and performance test of metal hydride hydrogen storage system

    Directory of Open Access Journals (Sweden)

    Tzu-Hsiang Yen, Bin-Hao Chen, Bao-Dong Chen


    Full Text Available Metal hydride reactors are widely used in many industrial applications, such as hydrogen storage, thermal compression, heat pump, etc. According to the research requirement of metal hydride hydrogen storage, the thermal analyses have been implemented in the paper. The metal hydride reaction beds are considered as coupled cylindrical tube modules which combine the chemical absorption and desorption in metal hydride. The model is then used metal hydride LaNi5 as an example to predict the performance of metal hydride hydrogen storage devices, such as the position of hydration front and the thermal flux. Under the different boundary condition the characteristics of heat transfer and mass transfer in metal hydride have influence on the hydrogen absorption and desorption. The researches revealed that the scroll design can improve the temperature distribution in the reactor and the porous tube for directing hydrogen can increase the penetration depth of hydride reaction to decrease the hydrogen absorption time.

  14. Investigation of Cracked Lithium Hydride Reactor Vessels

    Energy Technology Data Exchange (ETDEWEB)

    bird, e.l.; mustaleski, t.m.


    Visual examination of lithium hydride reactor vessels revealed cracks that were adjacent to welds, most of which were circumferentially located in the bottom portion of the vessels. Sections were cut from the vessels containing these cracks and examined by use of the metallograph, scanning electron microscope, and microprobe to determine the cause of cracking. Most of the cracks originated on the outer surface just outside the weld fusion line in the base material and propagated along grain boundaries. Crack depths of those examined sections ranged from {approximately}300 to 500 {micro}m. Other cracks were reported to have reached a maximum depth of 1/8 in. The primary cause of cracking was the creation of high tensile stresses associated with the differences in the coefficients of thermal expansion between the filler metal and the base metal during operation of the vessel in a thermally cyclic environment. This failure mechanism could be described as creep-type fatigue, whereby crack propagation may have been aided by the presence of brittle chromium carbides along the grain boundaries, which indicates a slightly sensitized microstructure.

  15. Transition-Metal Hydride Radical Cations. (United States)

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


    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.

  16. Comparison of the interactions in the rare gas hydride and Group 2 metal hydride anions. (United States)

    Harris, Joe P; Manship, Daniel R; Breckenridge, W H; Wright, Timothy G


    We study both the rare gas hydride anions, RG-H(-) (RG = He-Rn) and Group 2 (Group IIa) metal hydride anions, MIIaH(-) (MIIa = Be-Ra), calculating potential energy curves at the CCSD(T) level with augmented quadruple and quintuple basis sets, and extrapolating the results to the basis set limit. We report spectroscopic parameters obtained from these curves; additionally, we study the Be-He complex. While the RG-H(-) and Be-He species are weakly bound, we show that, as with the previously studied BeH(-) and MgH(-) species, the other MIIaH(-) species are strongly bound, despite the interactions nominally also being between two closed shell species: M(ns(2)) and H(-)(1s(2)). We gain insight into the interactions using contour plots of the electron density changes and population analyses. For both series, the calculated dissociation energy is significantly less than the ion/induced-dipole attraction term, confirming that electron repulsion is important in these species; this effect is more dramatic for the MIIaH(-) species than for RG-H(-). Our analyses lead us to conclude that the stronger interaction in the case of the MIIaH(-) species arises from sp and spd hybridization, which allows electron density on the MIIa atom to move away from the incoming H(-).

  17. Multidimensional simulations of hydrides during fuel rod lifecycle (United States)

    Stafford, D. S.


    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.

  18. The effect of stress state on zirconium hydride reorientation (United States)

    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

  19. Sodium-based hydrides for thermal energy applications (United States)

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


    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.

  20. Comparison of Hydrogen Elimination from Molecular Zinc and Magnesium Hydride Clusters

    NARCIS (Netherlands)

    Intemann, J.; Sirsch, Peter; Harder, Sjoerd


    In analogy to the previously reported tetranuclear magnesium hydride cluster with a bridged dianionic bis-beta-diketiminate ligand, a related zinc hydride cluster has been prepared. The crystal structures of these magnesium and zinc hydride complexes are similar: the metal atoms are situated at the

  1. Investigation of metal hydride materials as hydrogen reservoirs for metal-hydrogen batteries (United States)



    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.

  2. Design, testing, fabrication and launch support of a liquid chemical barium release payload (utilizing the liquid fluorine-barium salt/hydrazine system) (United States)

    Stokes, C. S.; Smith, E. W.; Murphy, W. J.


    A payload was designed which included a cryogenic oxidizer tank, a fuel tank, and burner section. Release of 30 lb of chemicals was planned to occur in 2 seconds at the optimum oxidizer to fuel ratio. The chemicals consisted of 17 lb of liquid fluorine oxidizer and 13 lb of hydrazine-barium salt fuel mixture. The fuel mixture was 17% barium chloride, 16% barium nitrate, and 67% hydrazine, and contained 2.6 lb of available barium. Two significant problem areas were resolved during the program: explosive valve development and burner operation. The release payload was flight tested, from Wallops Island, Virginia. The release took place at an altitude of approximately 260 km. The release produced a luminous cloud which expanded very rapidly, disappearing to the human eye in about 20 seconds. Barium ion concentration slowly increased over a wide area of sky until measurements were discontinued at sunrise (about 30 minutes).

  3. A study of advanced magnesium-based hydride and development of a metal hydride thermal battery system (United States)

    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

  4. Iron Hydride Detection and Intramolecular Hydride Transfer in a Synthetic Model of Mono-Iron Hydrogenase with a CNS Chelate. (United States)

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


    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.

  5. Simultaneous determination of hydride and non-hydride forming elements by inductively coupled plasma optical emission spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Benzo, Z. [Instituto Venezolano de Investigaciones Cientificas, IVIC, Altos de Pipe, Caracas (Venezuela, Bolivarian Republic of); Matos-Reyes, M.N.; Cervera, M.L.; Guardia, M. de la, E-mail: [Department of Analytical Chemistry, University of Valencia, Valencia (Spain)


    The operating characteristics of a dual nebulization system were studied including instrumental and chemical conditions for the hydride generation and analytical figures of merit for both, hydride and non hydride forming elements. Analytical performance of the nebulization system was characterized by detection limits from 0.002 to 0.0026 {mu}g mL{sup -1} for the hydride forming elements and between 0.0034 and 0.0121 {mu}g mL{sup -1} for the non-hydride forming elements, relative standard deviation for 10 replicate measurements at 0.25 mg L{sup -1} level and recovery percentages between 97 and 103%. The feasibility of the system was demonstrated in the simultaneous determination of Ca, Cd, Co, Cr, Cu, Fe, Mg, Mn, Mo, Ni, Zn, As, Bi, Sb, Se, and Te in the NIST 1549 (non-fat milk powder), NIST 1570a (spinach leaves), DORM-2 (dogfish muscle) and TORT-2 (lobster hepatopancreas) certified samples for trace elements. Results found were in good agreement with the certified ones. (author)

  6. Theoretical Estimate of Hydride Affinities of Aromatic Carbonyl Compounds

    Institute of Scientific and Technical Information of China (English)

    AI Teng; ZHU Xiao-Qing; CHENG Jin-Pei


    @@ Aromatic carbonyl compounds are one type of the most important organic compounds, and the reductions ofthem by hydride agents such as LiAlH4 or NaBH4 are widely used in organic synthesis. The reactivity of carbonyl compounds generally increases in the following order: ketone < aldehyde, and amide < acid < ester < acid halide, which could be related to their hydride affinities (HA). In the previous paper, Robert[1] calculated the absolute HAof a series of small non-aromatic carbonyl compounds. In this paper, we use DFT method at B3LYP/6-311 + + G (2d, 2p)∥B3LYP/6-31 + G* level to estimate hydride affinities of five groups of aromatic carbonyl compounds. The detailed results are listed in Table 1.

  7. CO2 hydrogenation on a metal hydride surface. (United States)

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


    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.

  8. Electromagnetic properties of carbon black and barium titanate composite materials

    Energy Technology Data Exchange (ETDEWEB)

    Wang Guiqin [School of Material Science and Engineering, Dalian University of Technology, Dalian 116023 (China)], E-mail:; Chen Xiaodong; Duan Yuping; Liu Shunhua [School of Material Science and Engineering, Dalian University of Technology, Dalian 116023 (China)


    Nanocrystalline carbon black/barium titanate compound particle (CP) was synthesized by sol-gel method. The phase structure and morphology of compound particle were investigated by X-ray diffraction (XRD), transmission electron microscope (TEM) and Raman spectrum measurements, the electroconductivity was test by trielectrode arrangement and the precursor powder was followed by differential scanning calorimetric measurements (DSC) and thermal gravimetric analysis (TGA). In addition, the complex relative permittivity and permeability of compound particle were investigated by reflection method. The compound particle/epoxide resin composite (CP/EP) with different contents of CP were measured. The results show barium titanate crystal is tetragonal phase and its grain is oval shape with 80-100 nm which was coated by carbon black film. As electromagnetic (EM) complex permittivity, permeability and reflection loss (RL) shown that the compound particle is mainly a kind of electric and dielectric lossy materials and exhibits excellent microwave absorption performance in the X- and Ku-bands.


    Institute of Scientific and Technical Information of China (English)


    Polyaniline-barium titanate (PAn-BaTiO3) ultrafine composite particles were prepared by the oxidative polymerization of aniline with H2O2 while barium titanate nanoparticles were synthesized with a sol-gel method. The infrared spectrogram shows that the polymerization of PAn in the hybrid process of PAn-BaTiO3 is similar with the polymeric process of pure aniline, and there is interaction of PAn and BaTiO3 in the PAn-BaTiO3. SEM and TEM results show that the average diameter of the composite particles is 1.50 μm and the diameters of BaTiO3 nanoparticles are 5-15 nm in the composite particle. The electrical conductivity of the ultrafine composite particles is transformable from 100 to 10-11S/cm by equilibrium doping or dedoping method using various concentration of HCl or NaOH solutions.

  10. The crystal growth of barium flouride in aqueous solution (United States)

    Barone, J. P.; Svrjcek, D.; Nancollas, G. H.


    The kinetics of growth of barium flouride seed crystals were investigated in aqueous solution at 25°C using a constant composition method, in which the supersaturation and ionic strength were maintained constant by the addition of titrants consisting of barium nitrate and potassium flouride solutions. The rates of reaction, studied over a range of supersaturation (σ ≈ 0.4 to 1.0), were interpreted in terms of crystal growth models. A spiral growth mechanism best describes the data, and scanning electron microscopy indicates a three-dimensional growth. In the presence of inorganic additives such as phosphate, however, induction periods precede a morphological two-dimensional crystallization. Coulter Counter results show little crystal agglomeration.

  11. Particularities of Radiation Defect Formation in Ceramic Barium Cerate (United States)

    Khromushin, I. V.; Aksenova, T. I.; Tuseev, T.; Munasbaeva, K. K.; Ermolaev, Yu V.; Ermolaev, V. N.; Seitov, A. S.


    The effects of irradiation with electrons, ions of noble gases (Ne, Ar, Kr) and oxygen on the structure and properties of neodymium-doped barium cerate have been studied using the methods of X-ray diffraction analysis, scanning electron and atomic force microscopy, thermal desorption spectroscopy. It was shown that irradiation by low-energy ions of noble gases stimulates the blistering processes on the sample surface, while the high-energy ions contribute to formation of the structures on the irradiated surface that resemble the various stages of spherulitegrowth. The similar structures were not observed in the case of irradiation with high-energy oxygen ions. According to the data on thermal desorption of water and oxygen molecules from the irradiated barium cerate it was supposed that irradiation by the noble gas ions promotes neodymium oxidation state change. It was noticed that the electron irradiation leads to the formation of the nano-sized acicular structures on the cerate surface.

  12. Barium titanate nanoparticles: promising multitasking vectors in nanomedicine (United States)

    Graziana Genchi, Giada; Marino, Attilio; Rocca, Antonella; Mattoli, Virgilio; Ciofani, Gianni


    Ceramic materials based on perovskite-like oxides have traditionally been the object of intense interest for their applicability in electrical and electronic devices. Due to its high dielectric constant and piezoelectric features, barium titanate (BaTiO3) is probably one of the most studied compounds of this family. Recently, an increasing number of studies have been focused on the exploitation of barium titanate nanoparticles (BTNPs) in the biomedical field, owing to the high biocompatibility of BTNPs and their peculiar non-linear optical properties that have encouraged their use as nanocarriers for drug delivery and as label-free imaging probes. In this review, we summarize all the recent findings about these ‘smart’ nanoparticles, including the latest, most promising potential as nanotransducers for cell stimulation.

  13. Stark spectrum of barium in highly excited Rydberg states

    Institute of Scientific and Technical Information of China (English)

    Yang Hai-Feng; Gao Wei; Cheng Hong; Liu Xiao-Jun; Liu Hong-Ping


    We present observations of Stark spectra of barium in highly excited Rydberg states in the energy region around n =35.The one-photon excitation concerns the π transition.The observed Stark spectra at electric fields ranging from 0 to 60 V·cm-1 are well explained by the diagonalization of the Hamiltonian incorporating the core effects.From the Stark maps,the anti-crossings between energy levels are identified experimentally and theoretically.The time of flight spectra at the specified Stark states are recorded,where the deceleration and acceleration of barium atoms are observed.This is very consistent with the prediction derived from the Stark maps from the point of view of energy conservation.

  14. Acute barium intoxication following ingestion of soap water solution

    Directory of Open Access Journals (Sweden)

    Nandita Joshi


    Full Text Available We present a rare case in which a young girl ingested a solution of a hair-removing soap. The ingestion resulted in profound hypokalemia and severe acidosis leading to flaccid paralysis, respiratory arrest and ventricular arrhythmias. Ultimately the patient made complete recovery. The soapwas found to contain barium sulfide. The degree of paralysis and acidosis appeared to be directly related to serum potassium levels.

  15. Complex Impedance Studies of Optically Excited Strontium Barium Niobate (United States)


    has a tetragonal tungsten - bronze structure. The unit cell for this structure, illustrated below in Fig. 2.1, consists of ten oxygen octahedra joined...4 Kittel, pp. 373-374. 5 P. B. Jamieson, et al, “Ferroelectric Tungsten Bronze -Type Crystal Structures. I. Barium Strontium Niobate...Oxford, 1987). 2. C. Kittel, Introduction to Solid State Physics, (Wiley, New York, 1986). 3. P. B. Jamieson, et al, “Ferroelectric Tungsten


    Institute of Scientific and Technical Information of China (English)

    叶建华; 蒋利军; 李志念; 刘晓鹏; 王树茂


    Based on the principle of hydride adsorption, a one-dimensional mathematical model for hydriding in a cylindrical metal hydride hydrogen storage tank was established. The heat and mass transfer of metal hydride beds was computed by finite difference method. The variation in temperature and hydrogen concentration at different radial positions of the hydride layer was analyzed during the process of hydriding. The effects of supply pressure, heat convection coefficient and hydride layer radial thickness on the hydriding was studied. It is shown that hydride formation initially takes place uniformly all over the metal hydride layer, but with the process of hydriding, the hydriding rate at the core region is gradually slower than one at surface region. The increase of supply pressure and heat convection coefficient can accelerate the hydriding of the hydrogen storage tank. The effect of hydride layer radial thickness is significant on the hydriding rate, and the thinner hydride layer, the higher the hydriding rate.%基于金属氢化物吸氢基本特性,建立圆柱形金属氢化物储氢器吸氢过程的-维数学物理模型.采用有限差分法对金属氢化物床体的传热传质进行计算.分别研究金属氢化物床体各处温度和氢含量在吸氢过程中的变化以及氢气压力、对流传热系数和金属氢化物床体径向厚度对金属氢化物吸氢过程的影响.计算结果表明:初始阶段金属氢化物床均匀吸氢,但随着氢化过程的进行,其中心区域的吸氢速率逐渐低于边缘区域;增加吸氢压力、提高对流传热系数均可促进储氢器的吸氢;金属氢化物床的径向厚度对吸氢速率影响很大,金属氢化物床越薄,氢化反应的速度越快.

  17. Barium thiolates and selenolates: syntheses and structural principles. (United States)

    Ruhlandt-Senge, K; Englich, U


    The synthesis and structural characterization of a family of barium thiolates and selenolates is described. The thiolates were synthesized by metallation of thiols, the selenolates by reductive insertion of the metal into the selenium-selenium bond of diorganodiselenides. Both reaction sequences were carried out by using barium metal dissolved in ammonia; this afforded barium thiolates and selenolates in good yield and purity. The structural principles displayed in the target compounds span a wide range of solid-state formulations, including monomeric and dimeric species, and separated ion triples, namely [Ba(thf)4(SMes*)2] (1; Mes* = 2,4,6-tBU3C6H2), [Ba(thf)4(SeMes*)2] (2), [Ba([18]crown-6)(hmpa)2][(SeMes*)2] (3), the dimeric [(Ba(py)3(thf)(SeTrip)2)2] (4; py = pyridine, Trip = 2,4.6-iPr3C6H2), and [Ba([18]crown-6)(SeTrip)2] (5). The full range of association modes is completed by [Ba([18]crown-6)(hmpa)SMes*][SMes*] (6) communicated earlier by this group. In the solid state, this compound displays an intermediate ion coordination mode: one anion is bound to the metal, while the second one is unassociated. Together these compounds provide structural information about all three different association modes for alkaline earth metal derivatives. This collection of structural data allows important conclusions about the influence of solvation and ligation on structural trends.

  18. Microwave-hydrothermal synthesis of barium strontium titanate nanoparticles

    Energy Technology Data Exchange (ETDEWEB)

    Simoes, A.Z., E-mail: [Universidade Federal de Itajuba- Unifei - Campus Itabira, Rua Sao Paulo, 377, Bairro, Amazonas, CEP 35900-37, Itabira, MG (Brazil); Universidade Estadual Paulista- Unesp - Faculdade de Engenharia de Guaratingueta, Av. Dr. Ariberto Pereira da Cunha, 333, Bairro Pedregulho, CEP 12516-410 Guaratingueta, SP (Brazil); Moura, F.; Onofre, T.B. [Universidade Federal de Itajuba- Unifei - Campus Itabira, Rua Sao Paulo, 377, Bairro, Amazonas, CEP 35900-37, Itabira, MG (Brazil); Ramirez, M.A.; Varela, J.A.; Longo, E. [Laboratorio Interdisciplinar em Ceramica (LIEC), Departamento de Fisico-Quimica, Instituto de Quimica, UNESP, CEP 14800-900, Araraquara, SP (Brazil)


    Research highlights: {yields} Barium strontium titanate nanoparticles were obtained by the Hydrothemal microwave technique (HTMW) {yields} This is a genuine technique to obtain nanoparticles at low temperature and short times {yields} Barium strontium titanate free of carbonates with tetragonal structure was grown at 130 {sup o}C. - Abstract: Hydrothermal-microwave method (HTMW) was used to synthesize crystalline barium strontium titanate (Ba{sub 0.8}Sr{sub 0.2}TiO{sub 3}) nanoparticles (BST) in the temperature range of 100-130 {sup o}C. The crystallization of BST with tetragonal structure was reached at all the synthesis temperatures along with the formation of BaCO{sub 3} as a minor impurity at lower syntheses temperatures. Typical FT-IR spectra for tetragonal (BST) nanoparticles presented well defined bands, indicating a substantial short-range order in the system. TG-DTA analyses confirmed the presence of lattice OH- groups, commonly found in materials obtained by HTMW process. FE/SEM revealed that lower syntheses temperatures led to a morphology that consisted of uniform grains while higher syntheses temperature consisted of big grains isolated and embedded in a matrix of small grains. TEM has shown BST nanoparticles with diameters between 40 and 80 nm. These results show that the HTMW synthesis route is rapid, cost effective, and could serve as an alternative to obtain BST nanoparticles.

  19. High-Spin Cobalt Hydrides for Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Holland, Patrick L. [Yale University


    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Gschneidner, K. A. [Ames Lab., Ames, IA (United States); Schmidt, F. A. [Ames Lab., Ames, IA (United States); Frerichs, A. E. [Ames Lab., Ames, IA (United States); Ament, K. A. [Ames Lab., Ames, IA (United States)


    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.

  1. Ab-initio study of transition metal hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Sharma, Ramesh [Dept. of Physics, Feroze Gandhi Insititute of Engineering and Technology, Raebareli-229001 (India); Shukla, Seema, E-mail:; Dwivedi, Shalini, E-mail:; Sharma, Yamini, E-mail: [Theoretical Condensed Matter Physics Laboratory, Dept. of Physics Feroze Gandhi College, Raebareli-229001 (India)


    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.

  2. Hydride formation in core-shell alloyed metal nanoparticles (United States)

    Zhdanov, Vladimir P.


    The model and analysis presented are focused on hydride formation in nanoparticles with a Pd shell and a core formed by another metal. The arrangement of metal atoms is assumed to be coherent (no dislocations). The lattice strain distribution, elastic energy, and chemical potential of hydrogen atoms are scrutinized. The slope of the chemical potential (as a function of hydrogen uptake) is demonstrated to decrease with increasing the core volume, and accordingly the critical temperature for hydride formation and the corresponding hysteresis loops are predicted to decrease as well.

  3. Hydrogen Desorption from Mg Hydride: An Ab Initio Study

    Directory of Open Access Journals (Sweden)

    Simone Giusepponi


    Full Text Available Hydrogen desorption from hydride matrix is still an open field of research. By means of accurate first-principle molecular dynamics (MD simulations an Mg–MgH2 interface is selected, studied and characterized. Electronic structure calculations are used to determine the equilibrium properties and the behavior of the surfaces in terms of structural deformations and total energy considerations. Furthermore, extensive ab-initio molecular dynamics simulations are performed at several temperatures to characterize the desorption process at the interface. The numerical model successfully reproduces the experimental desorption temperature for the hydride.

  4. Preparation of nanosized barium zirconate powder by precipitation in aqueous solution


    Boschini, Frédéric; Guillaume, Bernard; Rulmont, André; Cloots, Rudi


    Several ways were explored to synthesize barium zirconate by soft chemistry methods in aqueous solution. In the first method the synthesis of barium zirconate was initiated by urea decomposition, through an homogeneous precipitation of barium and zirconium salts followed by a "low temperature" thermal treatment. The kinetic of the reaction and the optimum urea/cation ratio have been determined by means of X-ray diffraction and Inductive Coupled Plasma analyses. It has been demonstrated that a...

  5. Simplified assessment of segmental gastrointestinal transit time with orally small amount of barium

    Energy Technology Data Exchange (ETDEWEB)

    Yuan, Weitang; Zhang, Zhiyong; Liu, Jinbo; Li, Zhen; Song, Junmin; Wu, Changcai [Department of Colorectal Surgery, The First Affiliated Hospital and Institute of Clinical Medicine, Zhengzhou University, 450052 Zhengzhou (China); Wang, Guixian, E-mail: [Department of Colorectal Surgery, The First Affiliated Hospital and Institute of Clinical Medicine, Zhengzhou University, 450052 Zhengzhou (China)


    Objective: To determine the effectiveness and advantage of small amount of barium in the measurement of gastrointestinal transmission function in comparison with radio-opaque pallets. Methods: Protocal 1: 8 healthy volunteers (male 6, female 2) with average age 40 ± 6.1 were subjected to the examination of radio-opaque pellets and small amount of barium with the interval of 1 week. Protocol 2: 30 healthy volunteers in group 1 (male 8, female 22) with average age 42.5 ± 8.1 and 50 patients with chronic functional constipation in group 2 (male 11, female 39) with average age 45.7 ± 7.8 were subjected to the small amount of barium examination. The small amount of barium was made by 30 g barium dissolved in 200 ml breakfast. After taking breakfast which contains barium, objectives were followed with abdominal X-ray at 4, 8, 12, 24, 48, 72, 96 h until the barium was evacuated totally. Results: Small amount of barium presented actual chyme or stool transit. The transit time of radio-opaque pallets through the whole gastrointestinal tract was significantly shorter than that of barium (37 ± 8 h vs. 47 ± 10 h, P < 0.05) in healthy people. The transit times of barium in constipation patients were markedly prolonged in colon (61.1 ± 22 vs. 37.3 ± 11, P < 0.01) and rectum (10.8 ± 3.7 vs. 2.3 ± 0.8 h, P < 0.01) compared with unconstipated volunteers. Transit times in individual gastrointestinal segments were also recorded by using small amount of barium, which allowed identifying the subtypes of constipation. Conclusion: The small amount barium examination is a convenient and low cost method to provide the most useful and reliable information on the transmission function of different gastrointestinal segments and able to classify the subtypes of slow transit constipation.

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

    Esrafili, Mehdi D.; Mohammadian-Sabet, Fariba


    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.

  7. Uranium Hydride Nucleation and Growth Model FY'16 ESC Annual Report

    Energy Technology Data Exchange (ETDEWEB)

    Hill, Mary Ann [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Richards, Andrew Walter [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Holby, Edward F. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States); Schulze, Roland K. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)


    Uranium hydride corrosion is of great interest to the nuclear industry. Uranium reacts with water and/or hydrogen to form uranium hydride which adversely affects material performance. Hydride nucleation is influenced by thermal history, mechanical defects, oxide thickness, and chemical defects. Information has been gathered from past hydride experiments to formulate a uranium hydride model to be used in a Canned Subassembly (CSA) lifetime prediction model. This multi-scale computer modeling effort started in FY’13 and the fourth generation model is now complete. Additional high resolution experiments will be run to further test the model.

  8. Sponge-associated bacteria mineralize arsenic and barium on intracellular vesicles (United States)

    Keren, Ray; Mayzel, Boaz; Lavy, Adi; Polishchuk, Iryna; Levy, Davide; Fakra, Sirine C.; Pokroy, Boaz; Ilan, Micha


    Arsenic and barium are ubiquitous environmental toxins that accumulate in higher trophic-level organisms. Whereas metazoans have detoxifying organs to cope with toxic metals, sponges lack organs but harbour a symbiotic microbiome performing various functions. Here we examine the potential roles of microorganisms in arsenic and barium cycles in the sponge Theonella swinhoei, known to accumulate high levels of these metals. We show that a single sponge symbiotic bacterium, Entotheonella sp., constitutes the arsenic- and barium-accumulating entity within the host. These bacteria mineralize both arsenic and barium on intracellular vesicles. Our results indicate that Entotheonella sp. may act as a detoxifying organ for its host. PMID:28233852

  9. Effects of powdered versus liquid barium on the viscosity of fluids used in modified swallow studies

    Energy Technology Data Exchange (ETDEWEB)

    Baron, J.; Alexander, T. [Univ. of Alberta, Dept. of Radiology, Edmonton, Alberta (Canada)


    To determine if the viscosity of thickened juice mixtures used in modified barium swallow studies significantly changes with the addition of powdered barium. We also describe a test formulation created using liquid barium, which has a negligible effect on juice viscosity. The viscosities of water and standardized honey- and nectar-consistency juices mixed with different amounts of powdered barium were measured by timing the laminar flow of a given initial hydrostatic head of fluid under gravity though an orifice of fixed diameter. Standardized juices were then mixed with a liquid formulation of barium and with measured quantities of water to produce viscosities that more closely equated with those of the standardized juices. With the addition of powdered barium, viscosity increased in all fluids, most markedly with the nectar-consistency juice. Liquid barium formulations maintained the viscosities of the original thickened juices. Rendering juices radio-opaque with barium powder results in dramatic increases in the viscosity of the resulting mixture and compromises diagnostic accuracy. Liquid barium preparations have the advantage that they can be rapidly and accurately dispensed by syringe, and their use does not significantly increase the viscosity of the preparation. (author)

  10. Chemical Hydride Slurry for Hydrogen Production and Storage

    Energy Technology Data Exchange (ETDEWEB)

    McClaine, Andrew W


    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

  11. The influence of hydride on fracture toughness of recrystallized Zircaloy-4 cladding

    Energy Technology Data Exchange (ETDEWEB)

    Hsu, Hsiao-Hung, E-mail: [Institute of Nuclear Energy Research (INER), Lungtan Township, Taoyuan County 32546, Taiwan, ROC (China); China Steel Corporation, Hsiao Kang District, Kaohsiung 81233, Taiwan, ROC (China); Chiang, Ming-Feng [China Steel Corporation, Hsiao Kang District, Kaohsiung 81233, Taiwan, ROC (China); Chen, Yen-Chen [Institute of Nuclear Energy Research (INER), Lungtan Township, Taoyuan County 32546, Taiwan, ROC (China)


    In this work, RXA cladding tubes were hydrogen-charged to target hydrogen content levels between 150 and 800 wppm (part per million by weight). The strings of zirconium hydrides observed in the cross sections are mostly oriented in the circumferential direction. The fracture toughness of hydrided RXA Zircaloy-4 cladding was measured to evaluate its hydride embrittlement susceptibility. With increasing hydrogen content, the fracture toughness of hydrided RXA cladding decreases at both 25 °C and 300 °C. Moreover, highly localized hydrides (forming a hydride rim) aggravate the degradation of the fracture properties of RXA Zircaloy-4 cladding at both 25 °C and 300 °C. Brittle features in the form of quasi-cleavages and secondary cracks were observed on the fracture surface of the hydride rim, even for RXA cladding tested at 300 °C.


    Noguchi, H; Bronfenbrenner, J


    The so-called syphilitic antibodies can be removed from a serum by means of absorption with barium sulphate. The removal is due either to an adsorption or a mechanical absorption. The activity of the syphilitic antibodies is thereby unimpaired. The readiness with which the absorption is accomplished with barium sulphate varies considerably with different syphilitic sera. That barium sulphate exerts the same absorbing effect upon non-syphilitic serum components is made evident by the interfering property which the latter manifest in the absorption experiment of the syphilitic antibodies. The selective removal of the serum components, other than the syphilitic antibodies, by means of barium sulphate absorption is, therefore, impossible. On the other hand, a partial removal of these components, with but little removal of the syphilitic antibodies, may be effected when the content of a given serum is poor in syphilitic antibodies and comparatively rich in the indifferent serum components. But this is impossible if the conditions are reversed. The main reasons why some negative syphilitic sera may be so modified by the barium sulphate treatment as to give positive reactions, are explained below, but these apply only to those methods in which inactivated serum is employed. The inactivation reduces the antibody content to about one-fourth to one-fifth of the original. When the serum is very rich in antibodies, this does not affect the result of the fixation test. But when the amount of the antibodies is small, the process of inactivation creates conditions quite unexpected. It may produce such a condition that a given amount of the serum contains, after inactivation, only one or two antibody units, while the other serum components remain undiminished. Here one must not lose sight of the vital fact that these apparently indifferent serum constituents are not at all indifferent in the fixation processes. They may possess affinities which are similar to those of complement

  13. 铝酸钡与氢氧化钡脱硫过程比较%Comparison of Barium Aluminate and Barium Hydroxide Desulfurization Process

    Institute of Scientific and Technical Information of China (English)

    张念炳; 黎志英; 丁彤


    The seed precipitation liquor was desulfurized with barium aluminate and barium hydroxide respectively. The desulfurization slag was characterized by XRD analysis, and the desulfurization process was compared. The results show that barium hydroxide exceeds barium aluminate with better desulfurization in terms of effect, speed and duration. In the desulfurization process with barium aluminate, 2BaO · Al2O3 · 5H2O is firstly produced in the reaction of barium aluminate with alkali, and then it reacts with sodium sulfate and sodium carbonate. To compare, Ba(OH)2 · 8H2O directly reacts with sodium sulfate and sodium carbonate in the desulfurization process with barium hydroxide. Both of desulfurization reaction processes can be described with "shrinking core model".%用铝酸钡和氢氧化钡对种分母液进行脱硫试验,对脱硫渣进行XRD分析,并比较脱硫过程.结果表明,氢氧化钡的脱硫效果更好,脱硫完成时间更短,速率更快;铝酸钡先与碱液反应生成2BaO·Al2O3·5H2O,再与硫碱和碳碱反应,而氢氧化钡直接与硫碱和碳碱反应,脱硫过程均可用未反应核模型描述.

  14. Process of forming a sol-gel/metal hydride composite (United States)

    Congdon, James W.


    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.

  15. Review of magnesium hydride-based materials: development and optimisation

    NARCIS (Netherlands)

    Crivello, J. -C.; Dam, B.; Denys, R. V.; Dornheim, M.; Grant, D. M.; Huot, J.; Jensen, T. R.; de Jongh, P.; Latroche, M.; Milanese, C.; Milcius, D.; Walker, G. S.; Webb, C. J.; Zlotea, C.; Yartys, V. A.


    Magnesium hydride has been studied extensively for applications as a hydrogen storage material owing to the favourable cost and high gravimetric and volumetric hydrogen densities. However, its high enthalpy of decomposition necessitates high working temperatures for hydrogen desorption while the slo

  16. Diffusion model of delayed hydride cracking in zirconium alloys

    NARCIS (Netherlands)

    Shmakov, AA; Kalin, BA; Matvienko, YG; Singh, RN; De, PK


    We develop a method for the evaluation of the rate of delayed hydride cracking in zirconium alloys. The model is based on the stationary solution of the phenomenological diffusion equation and the detailed analysis of the distribution of hydrostatic stresses in the plane of a sharp tensile crack. Th

  17. Pore confined synthesis of magnesium boron hydride nanoparticles

    NARCIS (Netherlands)

    Au, Yuen S.; Yan, Yigang; De Jong, Krijn P.; Remhof, Arndt; De Jongh, Petra E.


    Nanostructured materials based on light elements such as Li, Mg, and Na are essential for energy storage and conversion applications, but often difficult to prepare with control over size and structure. We report a new strategy that is illustrated for the formation of magnesium boron hydrides, relev

  18. Hydrogen Storage in Porous Materials and Magnesium Hydrides

    NARCIS (Netherlands)

    Grzech, A.


    In this thesis representatives of two different types of materials for potential hydrogen storage application are presented. Usage of either nanoporous materials or metal hydrides has both operational advantages and disadvantages. A main objective of this thesis is to characterize the hydrogen stora

  19. Optimization of Internal Cooling Fins for Metal Hydride Reactors

    Directory of Open Access Journals (Sweden)

    Vamsi Krishna Kukkapalli


    Full Text Available Metal hydride alloys are considered as a promising alternative to conventional hydrogen storage cylinders and mechanical hydrogen compressors. Compared to storing in a classic gas tank, metal hydride alloys can store hydrogen at nearly room pressure and use less volume to store the same amount of hydrogen. However, this hydrogen storage method necessitates an effective way to reject the heat released from the exothermic hydriding reaction. In this paper, a finned conductive insert is adopted to improve the heat transfer in the cylindrical reactor. The fins collect the heat that is volumetrically generated in LaNi5 metal hydride alloys and deliver it to the channel located in the center, through which a refrigerant flows. A multiple-physics modeling is performed to analyze the transient heat and mass transfer during the hydrogen absorption process. Fin design is made to identify the optimum shape of the finned insert for the best heat rejection. For the shape optimization, use of a predefined transient heat generation function is proposed. Simulations show that there exists an optimal length for the fin geometry.

  20. Structural stability of complex hydrides LiBH4 revisited

    DEFF Research Database (Denmark)

    Lodziana, Zbigniew; Vegge, Tejs


    A systematic approach to study the phase stability of LiBH4 based on ab initio calculations is presented. Three thermodynamically stable phases are identified and a new phase of Cc symmetry is proposed for the first time for a complex hydride. The x-ray diffraction pattern and vibrational spectra...

  1. Hydride encapsulation by molecular alkali-metal clusters. (United States)

    Haywood, Joanna; Wheatley, Andrew E H


    The sequential treatment of group 12 and 13 Lewis acids with alkali-metal organometallics is well established to yield so-called ''ate' complexes, whereby the Lewis-acid metal undergoes nucleophilic attack to give an anion, at least one group 1 metal acting to counter this charge. However, an alternative, less well recognised, reaction pathway involves the Lewis acid abstracting hydride from the organolithium reagent via a beta-elimination mechanism. It has recently been shown that in the presence of N,N'-bidentate ligands this chemistry can be harnessed to yield a new type of molecular main-group metal cluster in which the abstracted LiH is effectively trapped, with the hydride ion occupying an interstitial site in the cluster core. Discussion focuses on the development of this field, detailing advances in our understanding of the roles of Lewis acid, organolithium, and amine substrates in the syntheses of these compounds. Structure-types are discussed, as are efforts to manipulate cluster geometry and composition as well as hydride-coordination. Embryonic mechanistic studies are reported, as well as attempts to generate hydride-encapsulation clusters under catalytic control.

  2. Optimizing Misch-Metal Compositions In Metal Hydride Anodes (United States)

    Bugga, Ratnakumar V.; Halpert, Gerald


    Electrochemical cells based on metal hydride anodes investigated experimentally in effort to find anode compositions maximizing charge/discharge-cycle performances. Experimental anodes contained misch metal alloyed with various proportions of Ni, Co, Mn, and Al, and experiments directed toward optimization of composition of misch metal.

  3. Well-defined transition metal hydrides in catalytic isomerizations. (United States)

    Larionov, Evgeny; Li, Houhua; Mazet, Clément


    This Feature Article intends to provide an overview of a variety of catalytic isomerization reactions that have been performed using well-defined transition metal hydride precatalysts. A particular emphasis is placed on the underlying mechanistic features of the transformations discussed. These have been categorized depending upon the nature of the substrate and in most cases discussed following a chronological order.

  4. Nanocrystalline Metal Hydrides Obtained by Severe Plastic Deformations

    Directory of Open Access Journals (Sweden)

    Jacques Huot


    Full Text Available It has recently been shown that Severe Plastic Deformation (SPD techniques could be used to obtain nanostructured metal hydrides with enhanced hydrogen sorption properties. In this paper we review the different SPD techniques used on metal hydrides and present some specific cases of the effect of cold rolling on the hydrogen storage properties and crystal structure of various types of metal hydrides such as magnesium-based alloys and body centered cubic (BCC alloys. Results show that generally cold rolling is as effective as ball milling to enhance hydrogen sorption kinetics. However, for some alloys such as TiV0.9Mn1.1 alloy ball milling and cold rolling have detrimental effect on hydrogen capacity. The exact mechanism responsible for the change in hydrogenation properties may not be the same for ball milling and cold rolling. Nevertheless, particle size reduction and texture seems to play a leading role in the hydrogen sorption enhancement of cold rolled metal hydrides.

  5. Metal hydrides for smart window and sensor applications

    NARCIS (Netherlands)

    Yoshimura, K.; Langhammer, C.; Dam, B.


    The hydrogenation of metals often leads to changes in optical properties in the visible range. This allows for fundamental studies of the hydrogenation process, as well as the exploration of various applications using these optical effects. Here, we focus on recent developments in metal hydride-base

  6. Tribochemical Decomposition of Light Ionic Hydrides at Room Temperature. (United States)

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


    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 MgH2 with reduced crystal size by mechanical deformation.

  7. KNH2-KH: a metal amide-hydride solid solution. (United States)

    Santoru, Antonio; Pistidda, Claudio; Sørby, Magnus H; Chierotti, Michele R; Garroni, Sebastiano; Pinatel, Eugenio; Karimi, Fahim; Cao, Hujun; Bergemann, Nils; Le, Thi T; Puszkiel, Julián; Gobetto, Roberto; Baricco, Marcello; Hauback, Bjørn C; Klassen, Thomas; Dornheim, Martin


    We report for the first time the formation of a metal amide-hydride solid solution. The dissolution of KH into KNH2 leads to an anionic substitution, which decreases the interaction among NH2(-) ions. The rotational properties of the high temperature polymorphs of KNH2 are thereby retained down to room temperature.

  8. Activation and discharge kinetics of metal hydride electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Johnsen, Stein Egil


    Potential step chronoamperometry and Electrochemical Impedance Spectroscopy (eis) measurements were performed on single metal hydride particles. For the {alpha}-phase, the bulk diffusion coefficient and the absorption/adsorption rate parameters were determined. Materials produced by atomisation, melt spinning and conventional casting were investigated. The melt spun and conventional cast materials were identical and the atomised material similar in composition. The particles from the cast and the melt spun material were shaped like parallelepipeds. A corresponding equation, for this geometry, for diffusion coupled to an absorption/adsorption reaction was developed. It was found that materials produced by melt spinning exhibited lower bulk diffusion (1.7E-14 m2/s) and absorption/adsorption reaction rate (1.0E-8 m/s), compared to materials produced by conventionally casting (1.1E-13 m2/s and 5.5E-8 m/s respectively). In addition, the influence of particle active surface and relative diffusion length were discussed. It was concluded that there are uncertainties connected to these properties, which may explain the large distribution in the kinetic parameters measured on metal hydride particles. Activation of metal hydride forming materials has been studied and an activation procedure, for porous electrodes, was investigated. Cathodic polarisation of the electrode during a hot alkaline surface treatment gave the maximum discharge capacity on the first discharge of the electrode. The studied materials were produced by gas atomisation and the spherical shape was retained during the activation. Both an AB{sub 5} and an AB{sub 2} alloy was successfully activated and discharge rate properties determined. The AB{sub 2} material showed a higher maximum discharge capacity, but poor rate properties, compared to the AB{sub 5} material. Reduction of surface oxides, and at the same time protection against corrosion of active metallic nickel, can explain the satisfying results of

  9. Thin-film metal hydrides for solar energy applications

    Energy Technology Data Exchange (ETDEWEB)

    Mongstad, Trygve Tveiteraas


    Thin-film metal hydrides may become important solar energy materials in the future. This thesis demonstrates interesting material properties of metal hydride films, relevant for applications as semiconducting materials for photovoltaic (PV) solar cells and for regulation of light using smart window technology.The work presented here has comprised an experimental study, focusing on three different materials: Magnesium hydride (MgH2), magnesium nickel hydride (Mg2NiH4) and yttrium hydride (YHx). Reactive sputter deposition was used to prepare the metal hydride film samples.This synthesis method is relatively uncommon for metal hydrides. Here,the first demonstration of reactive sputtering synthesis for YHx and Mg2NiH4 is given. Different challenges in forming singlephase, pure metal hydrides were identified: MgH2 could not be deposited without 3-16% metallic Mg present in the films, and YHx was found to react strong-ly to oxygen (O) during the deposition process. On the other hand, Mg2NiH4 films formed easily and apparently without major metallic clusters and with low O content.Mg2NiH4 is a semiconductor with an optical band gap that is suitable for PV solar cells. This study has showed that films with promising electrical and optical properties can be synthesized using reactive cosputtering of Mg and Ni. Using optical methods, the band gap for the as deposited samples was estimated to 1.54-1.76 eV, depending on the Mg-Ni composition. The asdeposited films were amorphous or nano-crystalline, but could be crystallized into the high-temperature fcc structure of Mg2NiH4 using heat treatment at 523 K. The band gap of the crystalline films was 2.1-2.2 eV, depending on the composition.A pronounced photochromic reaction to visible and UV light was observed for transparent yttrium hydride (T-YHx) samples. The optical transmission was reduced when the samples were illuminated, and the original optical transmission was restored when the samples were kept under dark conditions

  10. Metal Hydrides as hot carrier cell absorber materials (United States)

    Wang, Pei; Wen, Xiaoming; Shrestha, Santosh; Conibeer, Gavin; Aguey-Zinsou, Kondo-Francois


    The hot Carrier Solar Cell (HCSC) allows the photon-induced hot carriers (the carriers with energy larger than the band gap) to be collected before they completely thermalise. The absorber of the HCSC should have a large phononic band gap to supress Klemens Decay, which results in a slow carrier cooling speed. In fact, a large phononic band gap likely exists in a binary compound whose constituent elements have a large mass ratio between each other. Binary hydrides with their overwhelming mass ratio of the constituent elements are important absorber candidates. Study on different types of binary hydrides as potential absorber candidates is presented in this paper. Many binary transition metal hydrides have reported theoretical or experimental phonon dispersion charts which show large phononic band gaps. Among these hydrides, the titanium hydride (TiHX) is outstanding because of its low cost, easy fabrication process and is relatively inert to air and water. A TiHX thin film is fabricated by directly hydrogenating an evaporated titanium thin film. Characterisation shows good crystal quality and the hydrogenation process is believed to be successful. Ultrafast transient absorption (TA) spectroscopy is used to study the electron cooling time of TiHX. The result is very noisy due to the low absorption and transmission of the sample. The evolution of the TA curves has been explained by band to band transition using the calculated band structure of TiH2. Though not reliable due to the high noise, decay time fitting at 700nm and 600nm shows a considerably slow carrier cooling speed of the sample.

  11. Synthesis of hydrides by interaction of intermetallic compounds with ammonia

    Energy Technology Data Exchange (ETDEWEB)

    Tarasov, Boris P., E-mail: [Institute of Problems of Chemical Physics of the Russian Academy of Sciences, Chernogolovka 142432 (Russian Federation); Fokin, Valentin N.; Fokina, Evelina E. [Institute of Problems of Chemical Physics of the Russian Academy of Sciences, Chernogolovka 142432 (Russian Federation); Yartys, Volodymyr A., E-mail: [Institute for Energy Technology, Kjeller NO 2027 (Norway); Department of Materials Science and Engineering, Norwegian University of Science and Technology, Trondheim NO 7491 (Norway)


    Highlights: • Interaction of the intermetallics A{sub 2}B, AB, AB{sub 2}, AB{sub 5} and A{sub 2}B{sub 17} with NH{sub 3} was studied. • The mechanism of interaction of the alloys with ammonia is temperature-dependent. • Hydrides, hydridonitrides, disproportionation products or metal–N–H compounds are formed. • NH{sub 4}Cl was used as an activator of the reaction between ammonia and intermetallics. • Interaction with ammonia results in the synthesis of the nanopowders. - Abstract: Interaction of intermetallic compounds with ammonia was studied as a processing route to synthesize hydrides and hydridonitrides of intermetallic compounds having various stoichiometries and types of crystal structures, including A{sub 2}B, AB, AB{sub 2}, AB{sub 5} and A{sub 2}B{sub 17} (A = Mg, Ti, Zr, Sc, Nd, Sm; B = transition metals, including Fe, Co, Ni, Ti and nontransition elements, Al and B). In presence of NH{sub 4}Cl used as an activator of the reaction between ammonia and intermetallic alloys, their interaction proceeds at rather mild P–T conditions, at temperatures 100–200 °C and at pressures of 0.6–0.8 MPa. The mechanism of interaction of the alloys with ammonia appears to be temperature-dependent and, following a rise of the interaction temperature, it leads to the formation of interstitial hydrides; interstitial hydridonitrides; disproportionation products (binary hydride; new intermetallic hydrides and binary nitrides) or new metal–nitrogen–hydrogen compounds like magnesium amide Mg(NH{sub 2}){sub 2}. The interaction results in the synthesis of the nanopowders where hydrogen and nitrogen atoms become incorporated into the crystal lattices of the intermetallic alloys. The nitrogenated materials have the smallest particle size, down to 40 nm, and a specific surface area close to 20 m{sup 2}/g.

  12. Hydride structures in Ti-aluminides subjected to high temperature and hydrogen pressure charging conditions (United States)

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


    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.

  13. Barium Swallow Findings in the Evaluation of Patients with Dysphagia

    Directory of Open Access Journals (Sweden)

    Amirhosein Hashemi Attar


    Full Text Available Background/Objective: Dysphagia is a subjective"nsensation of difficulty in swallowing that has a wide"nrange of etiologies from psychosomatic disorders"nto high grade neoplasms. In this study we evaluated"nbarium swallow findings of patients with dysphagia."nPatients and Methods: We evaluated 200 patients"n(117 men, 83 women; mean age, 49.6 years with"ncomplaint of dysphagia. Fluoroscopic barium"nswallow was done for all the patients and they were"nreviewed for primary peristalsis (presence or absence,"nAbstracts"nS62 Iran J Radiol 2011, 8 (Supp.1"nAbstracts"nimpaired lower esophageal sphincter, esophageal dilatation, delayed emptying of barium, nonperistaltic contractions, stricture and filling defects. Clinical and in some cases endoscopic or manometric follow up was done for all patients."nResults: We had 134 (67% normal barium swallow"nexams with uncomplicated clinical courses. Sixty"nsix patients (33% had abnormal imaging findings"nincluding stricture in 24 patients (12%, filling defect"nin 12 patients (6% and mucosal abnormality in 14"n(7% patients (six cases of mucosal irregularity, three"ncases of mucosal ulceration and five cases of mucosal"nherniation, Bird's beak sign in three patients (1.5%,"ntertiary spasm in six patients (3% and hiatal hernia in"nseven patients (3.5%."nConclusion: In the majority of patients with dysphagia,"nbarium swallow is the only paraclinical study needed"nto plan proper treatment. If radiographic findings are"nequivocal, endoscopy or manometry may be required"nfor more certain diagnosis.

  14. New efficient catalyst for ammonia synthesis: barium-promoted cobalt on carbon

    DEFF Research Database (Denmark)

    Hagen, Stefan; Barfod, Rasmus; Fehrmann, Rasmus


    Barium-promoted cobalt catalysts supported on carbon exhibit higher ammonia activities at synthesis temperatures than the commercial, multipromoted iron catalyst and also a lower ammonia......Barium-promoted cobalt catalysts supported on carbon exhibit higher ammonia activities at synthesis temperatures than the commercial, multipromoted iron catalyst and also a lower ammonia...

  15. Obtaining of Nanostructured Powders of Barium and Strontium Hexaferrite by the Polymer Precursor Method

    Directory of Open Access Journals (Sweden)

    V.G. Kostishyn


    Full Text Available Studied the possibility of obtaining by precursors in the polymer nanostructured powders of barium hexaferrite BaFe12O19 and strontium hexaferrite SrFe12O19. The reagents were used as starting barium nitrate, strontium nitrate and ferric nitrate nonahydrate (III, and polyethylene glycol-400 used this technology as a polymer.

  16. Control on Crystal Forms of Ultrafine Barium Carbonate Particles and Study on its Mechanism

    Institute of Scientific and Technical Information of China (English)


    Barium carbonate particles were prepared by using homogeneous precipitation method and co-precipitation method respectively. Through adding different crystalline controlling modifiers, Barium carbonate particles in five different shapes including linear, needle-like, pillarlike, sphere-like and dumbbell-like were synthesized. These particles were characterized by SEM and XRD, and their synthetic mechanism was discussed in this paper.

  17. Investigation on the effects of milling atmosphere on synthesis of barium ferrite/magnetite nanocomposite

    NARCIS (Netherlands)

    Molaei, M.J.; Ataie, A.; Raygan, S.; Picken,n S.J.


    In this research, barium ferrite /magnetite nanocomposites synthesized via a mechano-chemical route. Graphite was used in order to reduce hematite content of barium ferrite to magnetite to produce a magnetic nanocomposite. The effects of processing conditions on the powder characteristics were inves

  18. A barium-rich binary central star in Abell 70

    CERN Document Server

    Boffin, Henri M J; Frew, D J; Acker, A; Köppen, J; Moffat, A F J; Parker, Q A


    We have found the central star of Abell 70 (PN G038.1-25.4, hereafter A 70) to be a binary consisting of a G8 IV-V secondary and a hot white dwarf. The secondary shows enhanced Ba II and Sr II features, firmly classifying it as a barium star. The nebula is found to have Type-I chemical abundances with helium and nitrogen enrichment, which combined with future abundance studies of the central star, will establish A 70 as a unique laboratory for studying s-process AGB nucleosynthesis.

  19. Spectroscopic properties of trivalent praseodymium in barium yttrium fluoride

    Energy Technology Data Exchange (ETDEWEB)

    Di Bartolo, B. E-mail:; Bowlby, B.E


    We have conducted a spectroscopic investigation of Pr{sup 3+} in barium yttrium fluoride (BaY{sub 2}O{sub 8}). Two doping concentrations were used: BaY{sub 2}F{sub 8}:Pr{sup 3+} (0.3%) and BaY{sub 2}F{sub 8}:Pr{sup 3+} (1%). The measurements included absorption, luminescence under continuous and pulsed excitations, and thermal effects on some sharp lines. The experimental results were used to characterize this system.

  20. The Kerr nonlinearity of the beta-barium borate crystal

    DEFF Research Database (Denmark)

    Bache, Morten; Guo, Hairun; Zhou, Binbin;


    A popular crystal for ultrafast cascading experiments is beta-barium-borate (β-BaB2O4, BBO). It has a decent quadratic nonlinear coefficient, and because the crystal is anisotropie it can be birefringence phase-matched for type I (oo → e) second-harmonic generation (SHG). For femtosecond...... experiments BBO is popular because of low dispersion and a high damage threshold. The main attractive property of ultrafast cascading is that the induced cascading nonlinearity nI 2, casc can be negative, i.e. generate a self-defocusing Kerr-like nonlinearity. However, the material Kerr nonlinearity nI 2...

  1. Dissociation potential curves of low-lying states in transition metal hydrides. 3. Hydrides of groups 6 and 7. (United States)

    Koseki, Shiro; Matsushita, Takeshi; Gordon, Mark S


    The dissociation curves of low-lying spin-mixed states in monohydrides of groups 6 and 7 were calculated by using an effective core potential (ECP) approach. This approach is based on the multiconfiguration self-consistent field (MCSCF) method, followed by first-order configuration interaction (FOCI) calculations, in which the method employs an ECP basis set proposed by Stevens and co-workers (SBKJC) augmented by a set of polarization functions. Spin-orbit coupling (SOC) effects are estimated within the one-electron approximation by using effective nuclear charges, since SOC splittings obtained with the full Breit-Pauli Hamitonian are underestimated when ECP basis sets are used. The ground states of group 6 hydrides have Omega = (1)/(2)(X(6)Sigma(+)(1/2)), where Omega is the z component of the total angular momentum quantum number. Although the ground states of group 7 hydrides have Omega = 0(+), their main adiabatic components are different; the ground state in MnH originates from the lowest (7)Sigma(+), while in TcH and ReH the main component of the ground state is the lowest (5)Sigma(+). The present paper reports a comprehensive set of theoretical results including the dissociation energies, equilibrium distances, electronic transition energies, harmonic frequencies, anharmonicities, and rotational constants for several low-lying spin-mixed states in these hydrides. Transition dipole moments were also computed among the spin-mixed states and large peak positions of electronic transitions are suggested theoretically for these hydrides. The periodic trends of physical properties of metal hydrides are discussed, based on the results reported in this and other recent studies.

  2. Heavy hydrides: H2Te ultraviolet photochemistry (United States)

    Underwood, J.; Chastaing, D.; Lee, S.; Wittig, C.


    The room-temperature ultraviolet absorption spectrum of H2Te 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(Π1/22) selectively relative to the TeH(Π3/22) ground state. This is attributed to the role of the 3A' state, which has a shallow well at large RH-TeH and correlates to H +TeH(Π1/22). Note that the Π1/22 state is analogous to the P1/22 spin-orbit excited state of atomic iodine, which is isoelectronic with TeH. The 3A' state is crossed at large R only by 2A″, with which it does not interact. The character of 3A' at large R is influenced by a strong spin-orbit interaction in the TeH product. Namely, Π1/22 has a higher degree of spherical symmetry than does Π3/22 (recall that I(P1/22) is spherically symmetric), and consequently Π1/22 is not inclined to form either strongly bonding or antibonding orbitals with the H atom. The 3A'←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'. The main absorption feature that is peaked at ˜240nm 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″ surface. The 4A″←X transition dipole moment dominates in the Franck-Condon region, and its polarization is in accord with the experimental observations. An extensive secondary photolysis (i.e., of nascent TeH) is

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

    Energy Technology Data Exchange (ETDEWEB)

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


    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

  4. Preparation of nanosized barium zirconate powder by thermal decomposition of urea in an aqueous solution containing barium and zirconium, and by calcination of the precipitate


    Boschini, Frédéric; Robertz, B.; Rulmont, André; Cloots, Rudi


    The synthesis of barium zirconate was initiated by urea induced homogeneous precipitation followed by a "low temperature" thermal treatment. The kinetic of the reaction and the optimum urea/cation ratio have been determined by means of X-ray diffraction and Inductive Coupled Plasma analyses. It has been demonstrated that an amorphous zirconium hydrated oxide starts to precipitate followed by the precipitation of barium carbonate. A calcination at 1200 degreesC during 2 h gives rise to the for...

  5. Temperature dependence dielectric properties of modified barium titanate-PVB composites (United States)

    Joshi, N. J.; Rakshit, P. B.; Grewal, G. S.; Shrinet, V.; Pratap, A.


    In this work, attempts are made to prepare ceramic polymer-composite followed by characterization of dielectric properties. The Barium Titanate ceramic powders are synthesized using the hydrothermal process. Silane treatment is carried out on Barium Titanate powder to increase its compatibility with polymer, followed with preparation of ceramic-polymer composite. Polyvinyl Butyral (PVB) is used as matrix for preparation of the composites and the concentration of Barium Titanate is increased from 60 to 90 wt%. Dielectric properties such as volume resistivity, dielectric constant, dissipation factor are evaluated. Results indicate that the dielectric constant and dissipation factor vary between 52 to 120 and 0.01 to 0.07; respectively as the relative ratio of polymer and silane modified Barium Titanate is varied. Specifically, at 90 wt% of silane modified Barium Titanate, the highest dielectric constant of 123 along with dissipation factor of 0.07 is obtained.

  6. Barium Tagging in Liquid Xenon for the nEXO Experiment (United States)

    Kravitz, Scott; nEXO Collaboration


    nEXO is a next-generation experiment designed to search for neutrinoless double beta decay of xenon-136 in a liquid xenon time projection chamber. Positive observation of this decay would determine the neutrino to be a MAJORANA particle, as well as measure the absolute neutrino mass scale. In order to greatly reduce background contributions to this search, the collaboration is developing several ``barium tagging'' techniques to recover and identify the decay daughter, barium-136. Barium tagging may be available for a second phase of nEXO operation, allowing for neutrino mass sensitivity beyond the inverted mass hierarchy. Tagging methods for this phase include barium-ion capture on a probe with identification by resonance ionization laser spectroscopy. Inclusion of an argon ion gun in this system allows for improved cleaning and preparation of the barium deposition substrate, with recent results reported in this presentation.

  7. Anion and cation diffusion in barium titanate and strontium titanate; Anionen- und Kationendiffusion in Barium- und Strontiumtitanat

    Energy Technology Data Exchange (ETDEWEB)

    Kessel, Markus Franz


    Perovskite oxides show various interesting properties providing several technical applications. In many cases the defect chemistry is the key to understand and influence the material's properties. In this work the defect chemistry of barium titanate and strontium titanate is analysed by anion and cation diffusion experiments and subsequent time-of-flight secondary ion mass spectrometry (ToF-SIMS). The reoxidation equation for barium titanate used in multi-layer ceramic capacitors (MLCCs) is found out by a combination of different isotope exchange experiments and the analysis of the resulting tracer diffusion profiles. It is shown that the incorporation of oxygen from water vapour is faster by orders of magnitude than from molecular oxygen. Chemical analysis shows the samples contain various dopants leading to a complex defect chemistry. Dysprosium is the most important dopant, acting partially as a donor and partially as an acceptor in this effectively acceptor-doped material. TEM and EELS analysis show the inhomogeneous distribution of Dy in a core-shell microstructure. The oxygen partial pressure and temperature dependence of the oxygen tracer diffusion coefficients is analysed and explained by the complex defect chemistry of Dy-doped barium titanate. Additional fast diffusion profiles are attributed to fast diffusion along grain boundaries. In addition to the barium titanate ceramics from an important technical application, oxygen diffusion in cubic, nominally undoped BaTiO{sub 3} single crystals has been studied by means of {sup 18}O{sub 2}/{sup 16}O{sub 2} isotope exchange annealing and subsequent determination of the isotope profiles in the solid by ToF-SIMS. It is shown that a correct description of the diffusion profiles requires the analysis of the diffusion through the surface space-charge into the material's bulk. Surface exchange coefficients, space-charge potentials and bulk diffusion coefficients are analysed as a function of oxygen partial

  8. Tungsten and Barium Transport in the Internal Plasma of Hollow Cathodes (United States)

    Polk, James E.; Mikellides, Ioannis G.; Katz, Ira; Capece, Angela M.


    The effect of tungsten erosion, transport and redeposition on the operation of dispenser hollow cathodes was investigated in detailed examinations of the discharge cathode inserts from an 8200 hour and a 30,352 hour ion engine wear test. Erosion and subsequent re-deposition of tungsten in the electron emission zone at the downstream end of the insert reduces the porosity of the tungsten matrix, preventing the flow of barium from the interior. This inhibits the interfacial reactions of the barium-calcium-aluminate impregnant with the tungsten in the pores. A numerical model of barium transport in the internal xenon discharge plasma shows that the barium required to reduce the work function in the emission zone can be supplied from upstream through the gas phase. Barium that flows out of the pores of the tungsten insert is rapidly ionized in the xenon discharge and pushedback to the emitter surface by the electric field and drag from the xenon ion flow. Thisbarium ion flux is sufficient to maintain a barium surface coverage at the downstream endgreater than 0.6, even if local barium production at that point is inhibited by tungsten deposits. The model also shows that the neutral barium pressure exceeds the equilibrium vapor pressure of the impregnant decomposition reaction over much of the insert length,so the reactions are suppressed. Only a small region upstream of the zone blocked by tungsten deposits is active and supplies the required barium. These results indicate that hollowcathode failure models based on barium depletion rates in vacuum dispenser cathodes are very conservative.

  9. Effect of thermo-mechanical cycling on zirconium hydride reorientation studied in situ with synchrotron X-ray diffraction (United States)

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


    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


    Energy Technology Data Exchange (ETDEWEB)

    Greenspan, Ehud; Todreas, Neil; Taiwo, Temitope


    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.

  11. Heat transfer analysis of metal hydrides in metal-hydrogen secondary batteries (United States)

    Onischak, M.; Dharia, D.; Gidaspow, D.


    The heat transfer between a metal-hydrogen secondary battery and a hydrogen-storing metal hydride was studied. Temperature profiles of the endothermic metal hydrides and the metal-hydrogen battery were obtained during discharging of the batteries assuming an adiabatic system. Two hydride materials were considered in two physical arrangements within the battery system. In one case the hydride is positioned in a thin annular region about the battery stack; in the other the hydride is held in a tube down the center of the stack. The results show that for a typical 20 ampere-hour battery system with lanthanum pentanickel hydride as the hydrogen reservoir the system could perform successfully.

  12. Molecular early main group metal hydrides: synthetic challenge, structures and applications. (United States)

    Harder, Sjoerd


    Within the general area of early main group metal chemistry, the controlled synthesis of well-defined metal hydride complexes is a rapidly developing research field. As group 1 and 2 metal complexes are generally highly dynamic and lattice energies for their [MH](∞) and [MH(2)](∞) salts are high, the synthesis of well-defined soluble hydride complexes is an obvious challenge. Access to molecular early main group metal hydrides, however, is rewarding: these hydrocarbon-soluble metal hydrides are highly reactive, have found use in early main group metal catalysis and are potentially also valuable molecular model systems for polar metal hydrides as a hydrogen storage material. The article focusses specifically on alkali and alkaline-earth metal hydride complexes and discusses the synthetic challenge, molecular structures, reactivity and applications.

  13. Thermal expansion behaviour of barium and strontium zirconium phosphates

    Indian Academy of Sciences (India)

    P Srikari Tantri; K Geetha; A M Umarji; Sheela K Ramasesha


    Ba1.5–SrZr4P5SiO24 compounds with = 0, 0.25, 0.5, 0.75, 1.0, 1.25 and 1.5, belonging to the low thermal expansion NZP family were synthesized by the solid state reaction method. The XRD pattern could be completely indexed with respect to R$\\bar{3}$ space group indicating the ordering of vacancy at the divalent cation octahedral sites. The microstructure and bulk thermal expansion coefficient from room temperature to 800°C of the sintered samples have been studied. All the samples show very low coefficient of thermal expansion (CTE), with = 0 samples showing negative expansion. A small substitution of strontium in the pure barium compound changes the sign of CTE. Similarly, = 1.5 sample (pure strontium) shows a positive CTE and a small substitution of barium changes its sign. = 1.0 and 1.25 samples have almost constant CTE over the entire temperature range. The low thermal expansion of these samples can be attributed to the ordering of the ions in the crystal structure of these materials.

  14. Study of barium bismuth titanate prepared by mechanochemical synthesis

    Directory of Open Access Journals (Sweden)

    Lazarević Z.Ž.


    Full Text Available Barium-bismuth titanate, BaBi4Ti4O15 (BBT, a member of Aurivillius bismuth-based layer-structure perovskites, was prepared from stoichiometric amounts of barium titanate and bismuth titanate obtained via mechanochemical synthesis. Mechanochemical synthesis was performed in air atmosphere in a planetary ball mill. The reaction mechanism of BaBi4Ti4O15 and the preparation and characteristics of BBT ceramic powders were studied using XRD, Raman spectroscopy, particle analysis and SEM. The Bi-layered perovskite structure of BaBi4Ti4O15 ceramic forms at 1100 °C for 4 h without a pre-calcination step. The microstructure of BaBi4Ti4O15 exhibits plate-like grains typical for the Bi-layered structured material and spherical and polygonal grains. The Ba2+ addition leads to changes in the microstructure development, particularly in the change of the average grain size.

  15. Liquid-Phase Processing of Barium Titanate Thin Films (United States)

    Harris, David Thomas

    Processing of thin films introduces strict limits on the thermal budget due to substrate stability and thermal expansion mismatch stresses. Barium titanate serves as a model system for the difficulty in producing high quality thin films because of sensitivity to stress, scale, and crystal quality. Thermal budget restriction leads to reduced crystal quality, density, and grain growth, depressing ferroelectric and nonlinear dielectric properties. Processing of barium titanate is typically performed at temperatures hundreds of degrees above compatibility with metalized substrates. In particular integration with silicon and other low thermal expansion substrates is desirable for reductions in costs and wider availability of technologies. In bulk metal and ceramic systems, sintering behavior has been encouraged by the addition of a liquid forming second phase, improving kinetics and promoting densification and grain growth at lower temperatures. This approach is also widespread in the multilayer ceramic capacitor industry. However only limited exploration of flux processing with refractory thin films has been performed despite offering improved dielectric properties for barium titanate films at lower temperatures. This dissertation explores physical vapor deposition of barium titanate thin films with addition of liquid forming fluxes. Flux systems studied include BaO-B2O3, Bi2O3-BaB2O 4, BaO-V2O5, CuO-BaO-B2O3, and BaO-B2O3 modified by Al, Si, V, and Li. Additions of BaO-B2O3 leads to densification and an increase in average grain size from 50 nm to over 300 nm after annealing at 900 °C. The ability to tune permittivity of the material improved from 20% to 70%. Development of high quality films enables engineering of ferroelectric phase stability using residual thermal expansion mismatch in polycrystalline films. The observed shifts to TC match thermodynamic calculations, expected strain from the thermal expansion coefficients, as well as x-ray diffract measurements

  16. Oxidation of Group 8 transition-Metal Hydrides and Ionic Hydrogenation of Ketones and Aldehydes

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Kjell-Tore


    Transition-metal hydrides have received considerable attention during the last decades because of their unusual reactivity and their potential as homogeneous catalysts for hydrogenation and other reactions of organic substrates. An important class of catalytic processes where transition-metal hydrides are involved is the homogeneous hydrogenation of alkenes, alkynes, ketones, aldehydes, arenes and nitro compounds. This thesis studies the oxidation of Group 8 transition-metal hydrides and the ionic hydrogenation of ketones and aldehydes.

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


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


    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 obser...

  18. Orbital-like motion of hydride ligands around low-coordinate metal centers. (United States)

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


    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.

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

    Directory of Open Access Journals (Sweden)

    Borislav Bogdanović


    Full Text Available 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.

  20. High temperature metal hydrides as heat storage materials for solar and related applications. (United States)

    Felderhoff, Michael; Bogdanović, Borislav


    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.

  1. Neutral binuclear rare-earth metal complexes with four μ₂-bridging hydrides. (United States)

    Rong, Weifeng; He, Dongliang; Wang, Meiyan; Mou, Zehuai; Cheng, Jianhua; Yao, Changguang; Li, Shihui; Trifonov, Alexander A; Lyubov, Dmitrii M; Cui, Dongmei


    The first neutral rare-earth metal dinuclear dihydrido complexes [(NPNPN)LnH2]2 (2-Ln; Ln = Y, Lu; NPNPN: N[Ph2PNC6H3((i)Pr)2]2) bearing μ2-bridging hydride ligands have been synthesized. In the presence of THF, 2-Y undergoes intramolecular activation of the sp(2) C-H bond to form dinuclear aryl-hydride complex 3-Y containing three μ2-bridging hydride ligands.

  2. Development of a novel metal hydride-air secondary battery

    Energy Technology Data Exchange (ETDEWEB)

    Gamburzev, S.; Zhang, W.; Velev, O.A.; Srinivasan, S.; Appleby, A.J. [Texas A and M University, College Station (United States). Center for Electrochemical Systems and Hydrogen Research; Visintin, A. [Universidad Nacional de La Plata (Argentina). Insituto Nacional de Investigaciones Fisicoquimica Teoricas y Applicadas


    A laboratory metal hydride/air cell was evaluated. Charging was via a bifunctional air gas-diffusion electrode. Mixed nickel and cobalt oxides, supported on carbon black and activated carbon, were used as catalysts in this electrode. At 30 mA cm{sup -2} in 6 M KOH, the air electrode potentials were -0.2 V (oxygen reduction) and +0.65 V (oxygen evolution) vs Hg/HgO. The laboratory cell was cycled for 50 cycles at the C/2 rate (10 mA cm{sup -2}). The average discharge/charge voltages of the cell were 0.65 and 1.6 V, respectively. The initial capacity of the metal hydride electrode decreased by about 15% after 50 cycles. (author)

  3. Pyrophoric behaviour of uranium hydride and uranium powders

    Energy Technology Data Exchange (ETDEWEB)

    Le Guyadec, F., E-mail: fabienne.leguyadec@cea.f [CEA Marcoule DEN/DTEC/SDTC, 30207 Bagnols sur Ceze, BP 17171 (France); Genin, X.; Bayle, J.P. [CEA Marcoule DEN/DTEC/SDTC, 30207 Bagnols sur Ceze, BP 17171 (France); Dugne, O. [DEN/DTEC/SGCS, 30207 Bagnols sur Ceze, BP 17171 (France); Duhart-Barone, A.; Ablitzer, C. [CEA Cadarache DEN/DEC/SPUA, 13108 St. Paul lez Durance (France)


    Thermal stability and spontaneous ignition conditions of uranium hydride and uranium metal fine powders have been studied and observed in an original and dedicated experimental device placed inside a glove box under flowing pure argon. Pure uranium hydride powder with low amount of oxide (<0.5 wt.%) was obtained by heat treatment at low temperature in flowing Ar/5%H{sub 2}. Pure uranium powder was obtained by dehydration in flowing pure argon. Those fine powders showed spontaneous ignition at room temperature in air. An in situ CCD-camera displayed ignition associated with powder temperature measurement. Characterization of powders before and after ignition was performed by XRD measurements and SEM observations. Oxidation mechanisms are proposed.

  4. Detecting low concentrations of plutonium hydride with magnetization measurements

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jae Wook; Mun, E. D.; Baiardo, J. P.; Zapf, V. S.; Mielke, C. H. [National High Magnetic Field Laboratory, MPA-CMMS, Los Alamos National Laboratory (LANL), Los Alamos, New Mexico 87545 (United States); Smith, A. I.; Richmond, S.; Mitchell, J.; Schwartz, D. [Nuclear Material Science Group, MST-16, LANL, Los Alamos, New Mexico 87545 (United States)


    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}.

  5. Reversible metal-hydride phase transformation in epitaxial films. (United States)

    Roytburd, Alexander L; Boyerinas, Brad M; Bruck, Hugh A


    Metal-hydride phase transformations in solids commonly proceed with hysteresis. The extrinsic component of hysteresis is the result of the dissipation of energy of internal stress due to plastic deformation and fracture. It can be mitigated on the nanoscale, where plastic deformation and fracture are suppressed and the transformation proceeds through formation and evolution of coherent phases. However, the phase coherency introduces intrinsic thermodynamic hysteresis, preventing reversible transformation. In this paper, it is shown that thermodynamic hysteresis of coherent metal-hydride transformation can be eliminated in epitaxial film due to substrate constraint. Film-substrate interaction leads to formation of heterophase polydomain nanostructure with variable phase fraction which can change reversibly by varying temperature in a closed system or chemical potential in an open system.

  6. Structural isotope effects in metal hydrides and deuterides. (United States)

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


    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.

  7. Effects of metastability on hydrogen sorption in fluorine substituted hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Pinatel, E.R.; Corno, M.; Ugliengo, P.; Baricco, M., E-mail:


    Highlights: • Fluorine substitution in simple metal hydrides has been modelled. • The stability of the MH{sub (1−x)}F{sub x} solid solutions has been discussed. • Conditions for reversibility of sorption reactions have been suggested. - Abstract: In this work ab initio calculations and Calphad modelling have been coupled to describe the effect of fluorine substitution on the thermodynamics of hydrogenation–dehydrogenation in simple hydrides (NaH, AlH{sub 3} and CaH{sub 2}). These example systems have been used to discuss the conditions required for the formation of a stable hydride–fluoride solid solution necessary to obtain a reversible hydrogenation reaction.

  8. Gas chromatographic separation of hydrogen isotopes using metal hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Aldridge, F.T.


    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.

  9. Shielding efficiency of metal hydrides and borohydrides in fusion reactors

    DEFF Research Database (Denmark)

    Singh, Vishvanath P.; Badiger, Nagappa M.; Gerward, Leif


    Mass attenuation coefficients, mean free paths and exposure buildup factors have been used to characterize the shielding efficiency of metal hydrides and borohydrides, with high density of hydrogen. Gamma ray exposure buildup factors were computed using five-parameter geometric progression fittin...... combination of low-and high-Z elements. The present work should be useful for the selection and design of blankets and shielding, and for dose evaluation for components in fusion reactors....

  10. Photoelectron spectroscopic study of carbon aluminum hydride cluster anions (United States)

    Zhang, Xinxing; Wang, Haopeng; Ganteför, Gerd; Eichhorn, Bryan W.; Kiran, Boggavarapu; Bowen, Kit H.


    Numerous previously unknown carbon aluminum hydride cluster anions were generated in the gas phase, identified by time-of-flight mass spectrometry and characterized by anion photoelectron spectroscopy, revealing their electronic structure. Density functional theory calculations on the CAl5-9H- and CAl5-7H2- found that several of them possess unusually high carbon atom coordination numbers. These cluster compositions have potential as the basis for new energetic materials.


    Vetrano, J.B.


    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)

  12. Shielding efficiency of metal hydrides and borohydrides in fusion reactors


    Singh Vishvanath P.; Badiger Nagappa M.; Gerward Leif


    Mass attenuation coefficients, mean free paths and exposure buildup factors have been used to characterize the shielding efficiency of metal hydrides and borohydrides, with high density of hydrogen. Gamma ray exposure buildup factors were computed using five-parameter geometric progression fitting at energies 0.015 MeV to15 MeV, and for penetration depths up to 40 mean free paths. Fast-neutron shielding efficiency has been characterized by the effective neu...

  13. Synthesis of Renewable Energy Materials, Sodium Aluminum Hydride by Grignard Reagent of Al

    Directory of Open Access Journals (Sweden)

    Jun-qin Wang


    Full Text Available The research on hydrogen generation and application has attracted widespread attention around the world. This paper is to demonstrate that sodium aluminum hydride can be synthesized under simple and mild reaction condition. Being activated through organics, aluminum powder reacts with hydrogen and sodium hydride to produce sodium aluminum hydride under atmospheric pressure. The properties and composition of the sample were characterized by FTIR, XRD, SEM, and so forth. The results showed that the product through this synthesis method is sodium aluminum hydride, and it has higher purity, perfect crystal character, better stability, and good hydrogen storage property. The reaction mechanism is also discussed in detail.

  14. Pressure-driven formation and stabilization of superconductive chromium hydrides (United States)

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


    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

  15. Air passivation of metal hydride beds for waste disposal

    Energy Technology Data Exchange (ETDEWEB)

    Klein, J. E.; Hsu, R. H. [Savannah River National Laboratory, Aiken, SC 29808 (United States)


    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)

  16. Modellization of Metal Hydride Canister for Hydrogen Storage

    Directory of Open Access Journals (Sweden)

    Rocio Maceiras


    Full Text Available Hydrogen shows very interesting features for its use on-board applications as fuel cell vehicles. This paper presents the modelling of a tank with a metal hydride alloy for on-board applications, which provides good performance under ambient conditions. The metal hydride contained in the tank is Ti0.98Zr0.02V0.43Fe0.09Cr0.05Mn1.5. A two-dimensional model has been performed for the refuelling process (absorption and the discharge process (desorption. For that, individual models of mass balance, energy balance, reaction kinetics and behaviour of hydrogen gas has been modelled. The model has been developed under Matlab / Simulink© environment. Finally, individual models have been integrated into a global model, and simulated under ambient conditions. With the aim to analyse the temperature influence on the state of charge and filling and emptying time, other simulations were performed at different temperatures. The obtained results allow to conclude that this alloy offers a good behaviour with the discharge process under normal ambient conditions. Keywords: Hydrogen storage; metal hydrides; fuel cell; simulation; board applications

  17. Investigation of long term stability in metal hydrides (United States)

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


    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.

  18. Performance study of a hydrogen powered metal hydride actuator (United States)

    Mainul Hossain Bhuiya, Md; Kim, Kwang J.


    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.

  19. Preparation of Barium Titanate Nanopowder through Thermal Decomposition of Peroxide Precursor and Its Formation Mechanism

    Institute of Scientific and Technical Information of China (English)

    PENG, Yangxi; CHEN, Qiyuan; LIU, Shijun


    H_2TiO_3 was dissolved in the mixture of hydrogen formed peroxide and ammonia under the pH range of 8-10 with a transparent yellow solution formed. When an equivalent mole of Ba~(2+) solution was added into the yellow solution, the precipitate produced was the peroxide precursor of barium titanate. The cubic nanopowder of barium titanate was obtained when the precipitate was washed, stoved, and then calcined at 600 ℃ for 1 h. The peroxide precursor of barium titanate and barium titanate nanopowder prepared were characterized to be BaTi(H_2O_2)_2O_3 by TGA-DTA, XRD, TEM, SEM, and XREDS. The peroxide precursor of barium titanate was determined to be BaTi(H_2O_2)_2O_3. The particle size of the barium titanate nanopowder, the calcined product of BaTi(H_2O_2)_2O_3, was in the range of 20-40 nm. A formation mechanism of the barium titanate nanopowder through thermal decomposition of its peroxide precursor was proposed and then validated.

  20. Bio-based barium alginate film: Preparation, flame retardancy and thermal degradation behavior. (United States)

    Liu, Yun; Zhang, Chuan-Jie; Zhao, Jin-Chao; Guo, Yi; Zhu, Ping; Wang, De-Yi


    A bio-based barium alginate film was prepared via a facile ionic exchange and casting approach. Its flammability, thermal degradation and pyrolysis behaviors, thermal degradation mechanism were studied systemically by limiting oxygen index (LOI), vertical burning (UL-94), microscale combustion calorimetry (MCC), thermogravimetric analysis (TGA) coupled with Fourier transform infrared analysis (FTIR) and pyrolysis-gas chromatography-mass spectrometry (Py-GC-MS). It showed that barium alginate film had much higher LOI value (52.0%) than that of sodium alginate film (24.5%). Moreover, barium alginate film passed the UL-94 V-0 rating, while the sodium alginate film showed no classification. Importantly, peak of heat release rate (PHRR) of barium alginate film in MCC test was much lower than that of sodium alginate film, suggested that introduction of barium ion into alginate film significantly decreased release of combustible gases. TG-FTIR and Py-GC-MS results indicated that barium alginate produced much less flammable products than that of sodium alginate in whole thermal degradation procedure. Finally, a possible degradation mechanism of barium alginate had been proposed.

  1. Magnetic properties of Ni substituted Y-type barium ferrite

    Energy Technology Data Exchange (ETDEWEB)

    Won, Mi Hee; Kim, Chul Sung, E-mail: [Department of Physics, Kookmin University, Seoul 136-702 (Korea, Republic of)


    Y-type barium hexaferrite is attractive material for various applications, such as high frequency antennas and RF devices, because of its interesting magnetic properties. Especially, Ni substituted Y- type hexaferrites have higher magnetic ordering temperature than other Y-type. We have investigated macroscopic and microscopic properties of Y-type barium hexaferrite. Ba{sub 2}Co{sub 2−x}Ni{sub x}Fe{sub 12}O{sub 22} (x = 0, 0.5, 1.0, 1.5, and 2.0) samples are prepared by solid-state reaction method and studied by X-ray diffraction (XRD), vibrating sample magnetometer, and Mössbauer spectroscopy, as well as a network analyzer for high frequency characteristics. The XRD pattern is analyzed by Rietveld refinement method and confirms the hexagonal structure with R-3m. The hysteresis curve shows ferrimagnetic behavior. Saturation magnetization (M{sub s}) decreases with Ni contents. Ni{sup 2+}, which preferentially occupies the octahedral site with up-spin sub-lattice, has smaller spin value S of 1 than Co{sup 2+} having S = 3/2. The zero-field-cooled (ZFC) measurement of Ba{sub 2}Co{sub 1.5}Ni{sub 0.5}Fe{sub 12}O{sub 22} shows that Curie and spin transition temperatures are found to be 718 K and 209 K, respectively. The Curie temperature T{sub C} is increased with Ni contents, while T{sub S} is decreased with Ni. The Mössbauer spectra were measured at various temperatures and fitted by using a least-squares method with six sextet of six Lorentzian lines for Fe sites, corresponding to the 3b{sub VI}, 6c{sub IV}*, 6c{sub VI}, 18h{sub VI}, 6c{sub IV}, and 3a{sub IV} sites at below T{sub C}. From Mössbauer measurements, we confirmed the spin state of Fe ion to be Fe{sup 3+} and obtained the isomer shift (δ), magnetic hyperfine field (H{sub hf}), and the occupancy ratio of Fe ions at six sub-lattices. The complex permeability and permittivity are measured between 100 MHz and 4 GHz, suggesting that Y-type barium hexaferrite is promising for antenna

  2. Magnetic properties of Ni substituted Y-type barium ferrite (United States)

    Won, Mi Hee; Kim, Chul Sung


    Y-type barium hexaferrite is attractive material for various applications, such as high frequency antennas and RF devices, because of its interesting magnetic properties. Especially, Ni substituted Y- type hexaferrites have higher magnetic ordering temperature than other Y-type. We have investigated macroscopic and microscopic properties of Y-type barium hexaferrite. Ba2Co2-xNixFe12O22 (x = 0, 0.5, 1.0, 1.5, and 2.0) samples are prepared by solid-state reaction method and studied by X-ray diffraction (XRD), vibrating sample magnetometer, and Mössbauer spectroscopy, as well as a network analyzer for high frequency characteristics. The XRD pattern is analyzed by Rietveld refinement method and confirms the hexagonal structure with R-3m. The hysteresis curve shows ferrimagnetic behavior. Saturation magnetization (Ms) decreases with Ni contents. Ni2+, which preferentially occupies the octahedral site with up-spin sub-lattice, has smaller spin value S of 1 than Co2+ having S = 3/2. The zero-field-cooled (ZFC) measurement of Ba2Co1.5Ni0.5Fe12O22 shows that Curie and spin transition temperatures are found to be 718 K and 209 K, respectively. The Curie temperature TC is increased with Ni contents, while TS is decreased with Ni. The Mössbauer spectra were measured at various temperatures and fitted by using a least-squares method with six sextet of six Lorentzian lines for Fe sites, corresponding to the 3bVI, 6cIV*, 6cVI, 18hVI, 6cIV, and 3aIV sites at below TC. From Mössbauer measurements, we confirmed the spin state of Fe ion to be Fe3+ and obtained the isomer shift (δ), magnetic hyperfine field (Hhf), and the occupancy ratio of Fe ions at six sub-lattices. The complex permeability and permittivity are measured between 100 MHz and 4 GHz, suggesting that Y-type barium hexaferrite is promising for antenna applications in UHF band.

  3. Reactivity patterns of transition metal hydrides and alkyls

    Energy Technology Data Exchange (ETDEWEB)

    Jones, W.D. II


    The complex PPN/sup +/ CpV(CO)/sub 3/H/sup -/ (Cp=eta/sup 5/-C/sub 5/H/sub 5/ and PPN = (Ph/sub 3/P)/sub 2/) was prepared in 70% yield and its physical properties and chemical reactions investigated. PPN/sup +/ CpV(CO)/sub 3/H/sup -/ reacts with a wide range of organic halides. The organometallic products of these reactions are the vanadium halides PPN/sup +/(CpV(C)/sub 3/X)/sup -/ and in some cases the binuclear bridging hydride PPN/sup +/ (CpV(CO)/sub 3/)/sub 2/H/sup -/. The borohydride salt PPN/sup +/(CpV(CO)/sub 3/BH/sub 4/)/sup -/ has also been prepared. The reaction between CpV(CO)/sub 3/H/sup -/ and organic halides was investigated and compared with halide reductions carried out using tri-n-butyltin hydride. Results demonstrate that in almost all cases, the reduction reaction proceeds via free radical intermediates which are generated in a chain process, and are trapped by hydrogen transfer from CpV(CO)/sub 3/H/sup -/. Sodium amalgam reduction of CpRh(CO)/sub 2/ or a mixture of CpRh(CO)/sub 2/ and CpCo(CO)/sub 2/ affords two new anions, PPN/sup +/ (Cp/sub 2/Rh/sub 3/(CO)/sub 4/)/sup -/ and PPN/sup +/(Cp/sub 2/RhCo(CO)/sub 2/)/sup -/. CpMo(CO)/sub 3/H reacts with CpMo(CO)/sub 3/R (R=CH/sub 3/,C/sub 2/H/sub 5/, CH/sub 2/C/sub 6/H/sub 5/) at 25 to 50/sup 0/C to produce aldehyde RCHO and the dimers (CpMo(CO)/sub 3/)/sub 2/ and (CpMo(CO)/sub 2/)/sub 2/. In general, CpV(CO)/sub 3/H/sup -/ appears to transfer a hydrogen atom to the metal radical anion formed in an electron transfer process, whereas CpMo(CO)/sub 3/H transfers hydride in a 2-electron process to a vacant coordination site. The chemical consequences are that CpV(CO)/sub 3/H/sup -/ generally reacts with metal alkyls to give alkanes via intermediate alkyl hydride species whereas CpMo(CO)/sub 3/H reacts with metal alkyls to produce aldehyde, via an intermediate acyl hydride species.

  4. Hydrogen storage and evolution catalysed by metal hydride complexes. (United States)

    Fukuzumi, Shunichi; Suenobu, Tomoyoshi


    The storage and evolution of hydrogen are catalysed by appropriate metal hydride complexes. Hydrogenation of carbon dioxide by hydrogen is catalysed by a [C,N] cyclometalated organoiridium complex, [Ir(III)(Cp*)(4-(1H-pyrazol-1-yl-κN(2))benzoic acid-κC(3))(OH(2))](2)SO(4) [Ir-OH(2)](2)SO(4), under atmospheric pressure of H(2) and CO(2) in weakly basic water (pH 7.5) at room temperature. The reverse reaction, i.e., hydrogen evolution from formate, is also catalysed by [Ir-OH(2)](+) in acidic water (pH 2.8) at room temperature. Thus, interconversion between hydrogen and formic acid in water at ambient temperature and pressure has been achieved by using [Ir-OH(2)](+) as an efficient catalyst in both directions depending on pH. The Ir complex [Ir-OH(2)](+) also catalyses regioselective hydrogenation of the oxidised form of β-nicotinamide adenine dinucleotide (NAD(+)) to produce the 1,4-reduced form (NADH) under atmospheric pressure of H(2) at room temperature in weakly basic water. In weakly acidic water, the complex [Ir-OH(2)](+) also catalyses the reverse reaction, i.e., hydrogen evolution from NADH to produce NAD(+) at room temperature. Thus, interconversion between NADH (and H(+)) and NAD(+) (and H(2)) has also been achieved by using [Ir-OH(2)](+) as an efficient catalyst and by changing pH. The iridium hydride complex formed by the reduction of [Ir-OH(2)](+) by H(2) and NADH is responsible for the hydrogen evolution. Photoirradiation (λ > 330 nm) of an aqueous solution of the Ir-hydride complex produced by the reduction of [Ir-OH(2)](+) with alcohols resulted in the quantitative conversion to a unique [C,C] cyclometalated Ir-hydride complex, which can catalyse hydrogen evolution from alcohols in a basic aqueous solution (pH 11.9). The catalytic mechanisms of the hydrogen storage and evolution are discussed by focusing on the reactivity of Ir-hydride complexes.

  5. Barium ferrite nanoparticles prepared by self-propagating low-temperature combustion method and its characterization

    Indian Academy of Sciences (India)

    P M Prithviraj Swamy; S Basavaraja; Vijayanand Havanoor; N V Srinivas Rao; R Nijagunappa; A Venkataraman


    The barium ferrite particles were prepared using a self-propagating low-temperature combustion method using polyethylene glycol (PEG) as a fuel. The process was investigated with simultaneous thermogravimetric-differential thermal analysis (TG–DTA). The crystalline structure, morphology and the magnetic properties of the barium ferrite particles were studied by means of X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and SQUID susceptometer. The results show that the ignition temperature of PEG is lower compared with other combustion methods and gives nanocrystalline barium ferrite.

  6. Addition of methyl cellulose enema to double-contrast barium imaging of sigmoid diverticulosis

    Energy Technology Data Exchange (ETDEWEB)

    Olsson, R. [Malmoe Univ. Hospital (Sweden). Dept. of Diagnostic Radiology; Adnerhill, I. [Malmoe Univ. Hospital (Sweden). Dept. of Diagnostic Radiology; Bjoerkdahl, P. [Malmoe Univ. Hospital (Sweden). Dept. of Diagnostic Radiology; Ekberg, O. [Malmoe Univ. Hospital (Sweden). Dept. of Diagnostic Radiology; Fork, F.T. [Malmoe Univ. Hospital (Sweden). Dept. of Diagnostic Radiology


    Double-contrast barium enema has a reduced sensitivity in patients with severe sigmoid diverticulosis. Therefore a carboxy methyl cellulose enema was employed after the conventional double-contrast examination in 15 patients with sigmoid diverticulosis. A significant increase in lumen diameter and a superior removal of barium residue from the diverticulas facilitated the interpretation of the sigmoid loops. Conclusion: The addition of methyl cellulose enema to double-contrast barium imaging improves diagnostic imaging in diverticulosis by expanding the lumen and emptying the diverticulas. (orig.).

  7. A Comparative Study on Magnetostructural Properties of Barium Hexaferrite Powders Prepared by Polyethylene Glycol

    Directory of Open Access Journals (Sweden)

    Zehra Durmus


    Full Text Available Nanocrystalline particles of barium hexaferrite were synthesized by a sol-gel combustion route using nitrate-citrate gels prepared from metal nitrates and citric acid solutions with Fe/Ba molar ratio 12. The present paper aims to study the effect of addition of polyethylene glycol (PEG solutions with different molecular weights (MW: 400, 2000, and 10.000 g/mol on magnetostructural properties of barium hexaferrite. The formation of the barium hexaferrite was inspected using X-ray diffraction (XRD analysis, Fourier transform infrared (FT-IR analysis, thermogravimetric (TGA analysis, scanning electron microscopy (SEM analysis and vibrating sample magnetometer (VSM analysis for magnetic measurements.

  8. Carbene-metal hydrides can be much less acidic than phosphine-metal hydrides: significance in hydrogenations. (United States)

    Zhu, Ye; Fan, Yubo; Burgess, Kevin


    Acidities of iridium hydride intermediates were shown to be critical in some transformations mediated by the chiral analogues of Crabtree's catalyst, 1-3. To do this, several experiments were undertaken to investigate the acidities of hydrogenation mixtures formed using these iridium-oxazoline complexes. DFT calculations indicated that the acidity difference for Ir-H intermediates in these hydrogenations were astounding; iridium hydride from the N-heterocyclic carbene catalyst 1 was calculated to be around seven pK(a) units less acidic than those from the P-based complexes 2 and 3. Consistent with this, the carbene complex 1 was shown to be more effective for hydrogenations of acid-sensitive substrates. In deuteration experiments, less "abnormal" deuteration was observed, corresponding to fewer complications from acid-mediated alkene isomerization preceding the D(2)-addition step. Finally, simple tests with pH indicators provided visual evidence that phosphine-based catalyst precursors give significantly more acidic reaction mixtures than the corresponding N-heterocyclic carbene ones. These observations indicate carbene-for-phosphine (and similar) ligand substitutions may impact the outcome of catalytic reactions by modifying the acidities of the metal hydrides formed.

  9. Low-Cost Metal Hydride Thermal Energy Storage System for Concentrating Solar Power Systems

    Energy Technology Data Exchange (ETDEWEB)

    Zidan, Ragaiy [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Hardy, B. J. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Corgnale, C. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Teprovich, J. A. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Ward, P. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL); Motyka, Ted [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)


    The objective of this research was to evaluate and demonstrate a metal hydride-based TES system for use with a CSP system. A unique approach has been applied to this project that combines our modeling experience with the extensive material knowledge and expertise at both SRNL and Curtin University (CU). Because of their high energy capacity and reasonable kinetics many metal hydride systems can be charged rapidly. Metal hydrides for vehicle applications have demonstrated charging rates in minutes and tens of minutes as opposed to hours. This coupled with high heat of reaction allows metal hydride TES systems to produce very high thermal power rates (approx. 1kW per 6-8 kg of material). A major objective of this work is to evaluate some of the new metal hydride materials that have recently become available. A problem with metal hydride TES systems in the past has been selecting a suitable high capacity low temperature metal hydride material to pair with the high temperature material. A unique aspect of metal hydride TES systems is that many of these systems can be located on or near dish/engine collectors due to their high thermal capacity and small size. The primary objective of this work is to develop a high enthalpy metal hydride that is capable of reversibly storing hydrogen at high temperatures (> 650 °C) and that can be paired with a suitable low enthalpy metal hydride with low cost materials. Furthermore, a demonstration of hydrogen cycling between the two hydride beds is desired.

  10. Physico-chemical study of barium (II) dipivaloylmethanate nature

    Energy Technology Data Exchange (ETDEWEB)

    Fedotova, N.E. [Rossijskaya Akademiya Nauk, Novosibirsk (Russian Federation). Inst. of Inorganic Chemistry; Igumenov, I.K. [Rossijskaya Akademiya Nauk, Novosibirsk (Russian Federation). Inst. of Inorganic Chemistry; Mamatyuk, V.I. [Rossijskaya Akademiya Nauk, Novosibirsk (Russian Federation). Inst. of Inorganic Chemistry; Sidorenko, G.V. [Rossijskaya Akademiya Nauk, Novosibirsk (Russian Federation). Inst. of Inorganic Chemistry


    A physico-chemical research of bis-(dipivaloylmethanato)barium(II) (Ba(thd){sub 2}) has been carried out from the point of its use in CVD processes as a precursor (thermal stability, immunity to external effects and etc.). The optimal conditions for synthesis, purification and storage have been found. It has been shown, that the sublimated product presents a mixture of several modifications with the main phase of a composition Ba{sub 4}(thd){sub 8}. At a lowered pressure the sublimated product is preserved without decomposition for a long time. In the air it is a monomer of a composition Ba(thd){sub 2}*2H{sub 2}O, decomposing in the course of time with forming a free ligand or a diketone (C{sub 8}H{sub 21}O{sub 2}) depending on the way of purification of the initial compound. (orig.).

  11. Synthesis and optical study of barium magnesium aluminate blue phosphors (United States)

    Jeet, Suninder; Sharma, Manoj; Pandey, O. P.


    Europium doped barium magnesium aluminate (BaMgAl10O17:Eu2+) phosphor was prepared via solution combustion method at 550°C using urea as a fuel. Morphological and optical properties of the prepared sample was studied by X-ray diffraction (XRD), Transmission electron microscopy (TEM) and Photoluminescence spectroscopy (PL). XRD result showed the formation of pure phase BaMgAl10O17(JCPDS 26-0163) along with an additional phase BaAl2O4(JCPDS 01-082-1350). TEM image indicated the formation of faceted particles with average particle size 40 nm. From PL spectra, a broad emission band obtained at about 450 nm attributes to 4f6 5d → 4f7 transition of Eu2+ which lies in the blue region of the visible spectrum.

  12. Synthesis and optical study of barium magnesium aluminate blue phosphors

    Energy Technology Data Exchange (ETDEWEB)

    Jeet, Suninder, E-mail:; Pandey, O. P., E-mail: [School of Physics and Materials Science, Thapar University, Patiala (147003), Punjab (India); Sharma, Manoj, E-mail: [Department of Nanotechnology, Sri Guru Granth Sahib World University, Fatehgarh Sahib(146406), Punjab (India)


    Europium doped barium magnesium aluminate (BaMgAl{sub 10}O{sub 17}:Eu{sup 2+}) phosphor was prepared via solution combustion method at 550°C using urea as a fuel. Morphological and optical properties of the prepared sample was studied by X-ray diffraction (XRD), Transmission electron microscopy (TEM) and Photoluminescence spectroscopy (PL). XRD result showed the formation of pure phase BaMgAl{sub 10}O{sub 17}(JCPDS 26-0163) along with an additional phase BaAl{sub 2}O{sub 4}(JCPDS 01-082-1350). TEM image indicated the formation of faceted particles with average particle size 40 nm. From PL spectra, a broad emission band obtained at about 450 nm attributes to 4f{sup 6} 5d → 4f{sup 7} transition of Eu{sup 2+} which lies in the blue region of the visible spectrum.

  13. A new type of microphone using flexoelectric barium strontium titnate (United States)

    Kwon, Seol ryung; Huang, Wenbin; Zhang, Shujun; Yuan, Fuh-Gwo; Jiang, Xiaoning


    A flexoelectric bridge-structured microphone using bulk barium strontium titanate (Ba0.65Sr0.35TiO3 or BST) ceramic was investigated in this study. The flexoelectric microphone was installed in an anechoic box and exposed to the sound pressure emitted from a loud speaker. Charge sensitivity of the flexoelectric microphone was measured and calibrated using a reference microphone. The 1.5 mm×768 μm×50 μm micro-machined bridge-structured flexoelectric microphone has a sensitivity of 0.92 pC/Pa, while its resonance frequency was calculated to be 98.67 kHz. The analytical and experimental results show that the flexoelectric microphone has both high sensitivity and broad bandwidth, indicating that flexoelectric microphones are potential candidates for many applications.

  14. Influence of Barium Hexaferrite on Magnetic Properties of Hydroxyapatite Ceramics. (United States)

    Jarupoom, P; Jaita, P


    Hydroxyapatite (HA) powders was derived from natural bovine bone by sequence of thermal processes. The barium hexaferrite (BF) find magnetic powders were added into HA powders in ratio of 1-3 vol.%. The HA-BF ceramics were prepared by a solid state reaction method and sintered at 1250 degrees C for 2 h. Effects of BF additive on structural, physical and magnetic properties of HA ceramics were investigated. X-ray diffraction revealed that all HA-BF samples showed a main phase of high purity hydroxyapatite [Ca10(PO4)6(OH)2] with calcium and phosphate molar ratio of 1.67. The addition of BF into HA inhibited grain growth and caused an improvement of mechanical properties. The M-H hysteresis loops also showed an improvement in magnetic behavior for higher content of BF. Moreover, in vitro bioactivity test indicated that the 2-3 vol.% sample may be suitable for biological applications.

  15. Barium depletion study on impregnated cathodes and lifetime prediction

    Energy Technology Data Exchange (ETDEWEB)

    Roquais, J.M.; Poret, F.; Doze, R. le; Ricaud, J.L.; Monterrin, A.; Steinbrunn, A


    In the thermionic cathodes used in cathode ray-tubes (CRTs), barium is the key element for the electronic emission. In the case of the dispenser cathodes made of a porous tungsten pellet impregnated with Ba, Ca aluminates, the evaporation of Ba determines the cathode lifetime with respect to emission performance in the CRT. The Ba evaporation results in progressive depletion of the impregnating material inside the pellet. In the present work, the Ba depletion with time has been extensively characterized over a large range of cathode temperature. Calculations using the depletion data allowed modeling of the depletion as a function of key parameters. The link between measured depletion and emission in tubes has been established, from which an end-of-life criterion was deduced. Taking modeling into account, predicting accelerated life-tests were performed using high-density maximum emission current (MIK)

  16. Analysis of barium hydroxide and calcium hydroxide slurry carbonation reactors

    Energy Technology Data Exchange (ETDEWEB)

    Patch, K.D.; Hart, R.P.; Schumacher, W.A.


    The removal of CO/sub 2/ from air was investigated by using a continuous-agitated-slurry carbonation reactor containing either barium hydroxide (Ba(OH)/sub 2/) or calcium hydroxide (Ca(OH)/sub 2/). Such a process would be applied to scrub /sup 14/CO/sub 2/ from stack gases at nuclear-fuel reprocessing plants. Decontamination factors were characterized for reactor conditions which could alter hydrodynamic behavior. An attempt was made to characterize reactor performance with models assuming both plug flow and various degrees of backmixing in the gas phase. The Ba(OH)/sub 2/ slurry enabled increased conversion, but apparently the process was controlled under some conditions by phenomena differing from those observed for carbonation by Ca(OH)/sub 2/. Overall reaction mechanisms are postulated.

  17. A buffer gas cooled beam of barium monohydride (United States)

    Iwata, Geoffrey; Tarallo, Marco; Zelevinsky, Tanya


    Significant advances in direct laser cooling of diatomic molecules have opened up a wide array of molecular species to precision studies spanning many-body physics, quantum collisions and ultracold dissociation. We present a cryogenic beam source of barium monohydride (BaH), and study laser ablation of solid precursor targets as well as helium buffer gas cooling dynamics. Additionally, we cover progress towards a molecular magneto-optical trap, with spectroscopic studies of relevant cooling transitions in the B2 Σ molecules, including resolution of hyperfine structure and precision measurements of the vibrational Frank-Condon factors. Finally, we examine the feasibility of photo dissociation of trapped BaH molecules to yield optically accessible samples of ultracold hydrogen.

  18. Infrared Spectroscopic Characterization of Calcium and Barium Hydrazone Complexes

    Directory of Open Access Journals (Sweden)

    *A. Adeniyi


    Full Text Available Hydrazones have attracted considerable interest on account of their biological activities. Introduction of calcium and barium metal ions into m- and p-nitrobenzoic hydrazones is expected to modify these biological properties for enhanced activity and versatility. The ligands were synthesized from the parent acids. The complexes have been characterized using C, H and N microanalyses and IR spectrometry. The IR spectral data of the ligands and complexes revealed bonding via the C=O and C=N groups. The suggested metal to ligand stoichiometries are: [M (m-NBHx]Cl2.yH2O, x, y = 1 and 4 for M = Ca; x, y = 2 and 3 for M = Ba respectively. [M(p-NBHx]Cl2.yH2O, x, y = 1 and 12 for M = Ca; x, y = 1 and 3 for M = Ba respectively. The structural deductions are tentative pending future X-ray structural studies.

  19. Communication: Barium ions and helium nanodroplets: solvation and desolvation. (United States)

    Zhang, Xiaohang; Drabbels, Marcel


    The solvation of Ba(+) ions created by the photoionization of barium atoms located on the surface of helium nanodroplets has been investigated. The excitation spectra corresponding to the 6p (2)P(1/2) ← 6s (2)S(1/2) and 6p (2)P(3/2) ← 6s (2)S(1/2) transitions of Ba(+) are found to be identical to those recorded in bulk He II [H. J. Reyher, H. Bauer, C. Huber, R. Mayer, A. Schafer, and A. Winnacker, Phys. Lett. A 115, 238 (1986)], indicating that the ions formed at the surface of the helium droplets become fully solvated by the helium. Time-of-flight mass spectra suggest that following the excitation of the solvated Ba(+) ions, these are being ejected from the helium droplets either as bare Ba(+) ions or as small Ba(+)He(n) (n < 20) complexes.

  20. Ionoluminescence of trivalent rare-earth-doped strontium barium niobate

    Energy Technology Data Exchange (ETDEWEB)

    Calvo del Castillo, H. [Departamento de Geologia y Geoquimica, Universidad Autonoma de Madrid, Modulo C-VI, Campus de Cantoblanco, 28049 Cantoblanco, Madrid (Spain); Universidad Nacional Automoma de Mexico, Instituto de Fisica, 04510 Ciudad Universitaria, Mexico D.F. (Mexico); Ruvalcaba, J.L. [Universidad Nacional Automoma de Mexico, Instituto de Fisica, 04510 Ciudad Universitaria, Mexico D.F. (Mexico); Bettinelli, M.; Speghini, A. [Dipartimento Scientifico e Tecnologico, Universita di Verona and INSTM, UdR Verona, Ca Vignal, Strada Le Grazie 15, I-37134 Verona (Italy); Barboza Flores, M. [Centro de Investigacion en Fisica, Universidad de Sonora, Hermosillo, Sonora (Mexico); Calderon, T. [Departamento de Geologia y Geoquimica, Universidad Autonoma de Madrid, Modulo C-VI, Campus de Cantoblanco, 28049 Cantoblanco, Madrid (Spain)], E-mail:; Jaque, D.; Garcia Sole, J. [Departamento de Fisica de Materiales, Universidad Autonoma de Madrid, 28049 Cantoblanco, Madrid (Spain)


    Ionoluminescence spectra for different rare-earth ion (Pr{sup 3+} and Eu{sup 3+})-activated Sr{sub x}Ba{sub 1-x}Nb{sub 2}O{sub 6} strontium barium niobate crystals (x=0.33 and 0.60) have been induced with a 3 MeV proton beam for a variety of beam current intensities (45, 40 and 20 nA). The proton-beam induced luminescent spectra have shown features associated with the presence of the rare-earth ion and some spectral features mostly related to the host crystal, which appear only for high beam current intensities. We have compared the ionoluminescence results to those obtained under UV light excitation (photoluminescence technique) where a direct excitation of the band gap would occur.

  1. Structural and functional characterization of barium zirconium titanate / epoxy composites

    Directory of Open Access Journals (Sweden)

    Filiberto González Garcia


    Full Text Available The dielectric behavior of composite materials (barium zirconium titanate / epoxy system was analyzed as a function of ceramic concentration. Structure and morphologic behavior of the composites was investigated by X-ray Diffraction (XRD, Fourier transformed infrared spectroscopy (FT-IR, Raman spectroscopy, field emission scanning electron microscopy (FE-SEM and transmission electron microscopy (TEM analyses. Composites were prepared by mixing the components and pouring them into suitable moulds. It was demonstrated that the amount of inorganic phase affects the morphology of the presented composites. XRD revealed the presence of a single phase while Raman scattering confirmed structural transitions as a function of ceramic concentration. Changes in the ceramic concentration affected Raman modes and the distribution of particles along into in epoxy matrix. Dielectric permittivity and dielectric losses were influenced by filler concentration.

  2. Effect of Nb on barium titanate prepared from citrate solutions

    Directory of Open Access Journals (Sweden)

    Stojanović Biljana D.


    Full Text Available The influence of the addition of dopants on the microstructure development and electrical properties of BaTiO3 doped with 0.2, 0.4, 0.6, 0.8 mol% of Nb and 0.01 mol% of Mn based compounds was studied. Doped barium titanate was prepared using the polymeric precursor method from citrate solutions. The powders calcined at 700°C for 4 hours were analysed by infrared (IR spectroscopy to verify the presence of carbonates, and by X-ray diffraction (XRD for phase formation. The phase composition, microstructure and dielectric properties show a strong dependence on the amount of added niobium.

  3. Calcium, Strontium and Barium Homogeneous Catalysts for Fine Chemicals Synthesis. (United States)

    Sarazin, Yann; Carpentier, Jean-François


    The large alkaline earths (Ae), calcium, strontium and barium, have in the past 15 years yielded a brand new generation of heteroleptic molecular catalysts for the production of fine chemicals. However, the integrity of these complexes is often plagued by ligand redistribution equilibria in solution. This personal account retraces the paths followed in our research group towards the design of stable heteroleptic alkalino-earth complexes, including the use of intramolecular noncovalent Ae···H-Si and Ae···F-C interactions. Their implementation as homogenous precatalysts for reactions such as the intramolecular and intermolecular hydroamination and hydrophosphination of activated alkenes, the hydrophosphonylation of ketones, and the dehydrogenative coupling of amines and hydrosilanes that enable the efficient and controlled formations of CP, CN, or SiN σ-bonds, is presented in a synthetic perspective that highlights their overall outstanding catalytic performance.

  4. Preparation and Characterization of Nano-particle Substituted Barium Hexaferrite

    CERN Document Server

    Atassi, Yomen; Tally, Mohammad


    High density magnetic recording requires high coercivity magnetic media and small particle size. Barium hexaferrite has been considered as a leading candidate material because of its chemical stability, fairly large crystal anisotropy and suitable magnetic characteristics. In this work, we present the preparation of the hexagonal ferrite BaFe12O19 and one of its derivative; the Zn-Sn substituted hexaferrite by the chemical co-precipitation method. The main advantage of this method on the conventional glass-ceramic one, resides in providing a small enough particle size for magnetic recording. We demonstrate using the X-ray diffraction patterns that the particle size decreases when substituting the hexaferrite by the Zn-Sn combination. This may improve the magnetic properties of the hexaferrite as a medium for HD magnetic recording

  5. Barium and carbon fluxes in the Canadian Arctic Archipelago (United States)

    Thomas, Helmuth; Shadwick, Elizabeth; Dehairs, Frank; Lansard, Bruno; Mucci, Alfonso; Navez, Jacques; Gratton, Yves; Prowe, Friederike; Chierici, Melissa; Fransson, Agneta; Papakyriakou, Tim N.; Sternberg, Erika; Miller, Lisa A.; Tremblay, Jean-ÉRic; Monnin, Christophe


    The seasonal and spatial variability of dissolved Barium (Ba) in the Amundsen Gulf, southeastern Beaufort Sea, was monitored over a full year from September 2007 to September 2008. Dissolved Ba displays a nutrient-type behavior: the maximum water column concentration is located below the surface layer. The highest Ba concentrations are typically observed at river mouths, the lowest concentrations are found in water masses of Atlantic origin. Barium concentrations decrease eastward through the Canadian Arctic Archipelago. Barite (BaSO4) saturation is reached at the maximum dissolved Ba concentrations in the subsurface layer, whereas the rest of the water column is undersaturated. A three end-member mixing model comprising freshwater from sea-ice melt and rivers, as well as upper halocline water, is used to establish their relative contributions to the Ba concentrations in the upper water column of the Amundsen Gulf. Based on water column and riverine Ba contributions, we assess the depletion of dissolved Ba by formation and sinking of biologically bound Ba (bio-Ba), from which we derive an estimate of the carbon export production. In the upper 50 m of the water column of the Amundsen Gulf, riverine Ba accounts for up to 15% of the available dissolved Ba inventory, of which up to 20% is depleted by bio-Ba formation and export. Since riverine inputs and Ba export occur concurrently, the seasonal variability of dissolved Ba in the upper water column is moderate. Assuming a fixed organic carbon to bio-Ba flux ratio, carbon export out of the surface layer is estimated at 1.8 ± 0.45 mol C m-2 yr-1. Finally, we propose a climatological carbon budget for the Amundsen Gulf based on recent literature data and our findings, the latter bridging the surface and subsurface water carbon cycles.

  6. Crack initiation at long radial hydrides in Zr-2. 5Nb pressure tube material at elevated temperatures

    Energy Technology Data Exchange (ETDEWEB)

    Choubey, R.; Puls, M.P. (AECL Research, Pinawa, Manitoba (Canada). Whiteshell Labs.)


    Crack initiation at hydrides in smooth tensile specimens of Zr-2.5Nb pressure tube material was investigated at elevated temperatures up to 300 C using an acoustic emission (AE) technique. The test specimens contained long, radial hydride platelets. These hydrides have their plate normals oriented in the applied stress direction. Below [approximately]100 C, widespread hydride cracking was initiated at stresses close to the yield stress. An estimate of the hydride's fracture strength from this data yielded a value of [approximately]520 MPa at 100 C. Metallography showed that up to this temperature, cracking occurred along the length of the hydrides. However, at higher temperatures, there was no clear evidence of lengthwise cracking of hydrides, and fewer of the total hydride population fractured during deformation, as indicated by the AE record and the metallography. Moreover, the hydrides showed significant plasticity by-being able to flow along with the matrix material and align themselves parallel to the applied stress direction without fracturing. Near the fracture surface of the specimen, transverse cracking of the flow-reoriented hydrides had occurred at various points along the lengths of the hydrides. These fractures appear to be the result of stresses produced by large plastic strains imposed by the surrounding matrix on the less ductile hydrides.

  7. Arsenic speciation analysis by HPLC postcolumn hydride generation and detection by atomic fluorescence spectrometry


    Marschner, K; Musil, S. (Stanislav); Rychlovský, P.; Dědina, J. (Jiří)


    The aim of this contribution is to present a new method of hydride generation that enables to generate arsines from iAs , iAs , MMA and DMA in a flow injection mode with the same efficiency and in the next step connection of this hydride generator with HPLC column.

  8. Zirconium hydrides and Fe redistribution in Zr-2.5%Nb alloy under ion irradiation (United States)

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


    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.

  9. Study on the Use of Hydride Fuel in High-Performance Light Water Reactor Concept

    Directory of Open Access Journals (Sweden)

    Haileyesus Tsige-Tamirat


    Full Text Available Hydride fuels have features which could make their use attractive in future advanced power reactors. The potential benefit of use of hydride fuel in HPLWR without introducing significant modification in the current core design concept of the high-performance light water reactor (HPLWR has been evaluated. Neutronics and thermal hydraulic analyses were performed for a single assembly model of HPLWR with oxide and hydride fuels. The hydride assembly shows higher moderation with softer neutron spectrum and slightly more uniform axial power distribution. It achieves a cycle length of 18 months with sufficient excess reactivity. At Beginning of Cycle the fuel temperature coefficient of the hydride assembly is higher whereas the moderator and void coefficients are lower. The thermal hydraulic results show that the achievable fuel temperature in the hydride assembly is well below the design limits. The potential benefits of the use of hydride fuel in the current design of the HPLWR with the achieved improvements in the core neutronics characteristics are not sufficient to justify the replacement of the oxide fuel. Therefore for a final evaluation of the use of hydride fuels in HPLWR concepts additional studies which include modification of subassembly and core layout designs are required.

  10. Theoretical study on hydrogenation catalysts containing a metal hydride as additional hydrogen supply

    NARCIS (Netherlands)

    Snijder, E.D.; Versteeg, G.F.; Swaaij, W.P.M. van


    A hypothetical hydrogenation catalyst consisting of porous, catalytically active particles embedded with metal hydride powder was evaluated. The metal hydride provides temporarily additional hydrogen if the mass transfer rate of the hydrogen to the internal of the particle is not sufficient. A numer

  11. First-principles study of superabundant vacancy formation in metal hydrides. (United States)

    Zhang, Changjun; Alavi, Ali


    Recent experiments have established the generality of superabundant vacancies (SAV) formation in metal hydrides. Aiming to elucidate this intriguing phenomenon and to clarify previous interpretations, we employ density-functional theory to investigate atomic mechanisms of SAV formation in fcc hydrides of Ni, Cu, Rh, Pd, Ag, Ir, Pt, and Au. We have found that upon H insertion, vacancy formation energies reduce substantially. This is consistent with experimental suggestions. We demonstrate that the entropy effect, which has been proposed to explain SAV formation, is not the main cause. Instead, it is the drastic change of electronic structure induced by the H in the SAV hydrides, which is to a large extent responsible. Interesting trends in systems investigated are also found: ideal hydrides of 5d metals and noble metals are unstable compared to the corresponding pure metals, but the SAV hydrides are more stable than the corresponding ideal hydrides, whereas opposite results exist in the cases of Ni, Rh, and Pd. These trends of stabilities of the SAV hydrides are discussed in detail and a general understanding for SAV formation is provided. Finally, we propose an alternative reaction pathway to generate a SAV hydride from a metal alloy.

  12. Complex transition metal hydrides: linear correlation of countercation electronegativity versus T-D bond lengths. (United States)

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


    For homoleptic 18-electron complex hydrides, an inverse linear correlation has been established between the T-deuterium bond length (T = Fe, Co, Ni) and the average electronegativity of the metal countercations. This relationship can be further employed towards aiding structural solutions and predicting physical properties of novel complex transition metal hydrides.

  13. Severe acute cholangitis after endoscopic sphincterotomy induced by barium examination: A case report

    Institute of Scientific and Technical Information of China (English)

    Zhen-Hai Zhang; Ya-Guang Wu; Cheng-Kun Qin; Zhong-Xue Su; Jian Xu; Guo-Zhe Xian; Shuo-DongWu


    Endoscopic sphincterotomy (EST) is considered as a possible etiological factor for severe cholangitis.We herein report a case of severe cholangitis after endoscopic sphincterotomy induced by barium examination.An adult male patient presented with epigastric pain was diagnosed as having choledocholithiasis by ultrasonography.EST was performed and the stone was completely cleaned.Barium examination was done 3d after EST and severe cholangitis appeared 4 h later.The patient was recovered after treated with tienam for 4 d.Barium examination may induce severe cholangitis in patients after EST,although rare,barium examination should be chosen cautiously.Cautions should be also used when EST is performed in patients younger than 50 years to avoid the damage to the sphincter of Oddi.

  14. Characterization and growth dynamics of barium titanate crystallite on nanometer scale

    Institute of Scientific and Technical Information of China (English)

    Sen Wang; Yue Zhang; Zhen Ji; Yousong Gu; Yunhua Huang; Cheng Zhou


    Barium titanate powder on nanometer scale was synthesized by means of co-precipitation. The thermal mass loss, crystal grain growth and phase transition of the barium titanate nanometer powder were investigated by TG (Thermogravimetric)-DTA (Differential scanning calorimetric) and XRD (X-ray powder diffractometer) at different heat treatment temperatures. The results show that amorphous barium titanate powder can transfer into tetragonal symmetry structure after heat treatment. When the heat treatment temperature is below 900℃, the grains grow rapidly because the activation energy at low temperature is greatly less than that at high temperature. By controlling theheat treatment temperature, the optimization of the barium titanate crystallite size and formation of tetragonal phase can be realized.

  15. Study on Effectiveness of Barium Enema in the Diagnosis of Hirschsprung Disease

    Directory of Open Access Journals (Sweden)

    M. Karami Chanlah


    Full Text Available Introduction & Aims: The study aims to investigate barium enema accuracy in diagnosing Hischsprung's disease (HD. Patients & Methods: This study was performed on 58 patients diagnosed with Hischsprung's disease later confirmed by pathology; the patients had undergone surgical operation in the last 3 years. The radiographs were reached from their medical records and were later assessed by a skilled pediatric radiologist. Bar-ium enema findings were also evaluated. Rectosig-moid index with the sign of transitional zone (TZ, and barium evacuation of delayed radiographs were recorded by a radiologist. Results: We measured accuracy of rectosigmoid index in these patients to be 94.8%, the sign of TZ to be 70.7%, and the barium evacuation of delayed radio-graphs to be 100% for diagnosis of HD. Fifty percent of the cases were neonates, 42% infants, and 7% more than 2 years old. Of all the patients, 76% were male and 24% were female. The most common diseases accompanying HD were cardiac abnormalities. We did not find any total aganglionosis. Conclusion & Discussion: Half of the patients were newborn infants. The fact that the ratio is more than usual shows timely diagnosis of the condition by phy-sicians of this center. Barium enema findings in new-borns of our study contradicted significantly the re-searches done in other countries. In this study, it was found that with increasing age, barium enema find-ings would be defined in such a way that in in-fantsover 2 years, it can reach a diagnosis accuracy of up to 100%. Regarding the availability of barium en-ema and its lower costs than other diagnostic meth-ods, its accuracy seems very promising. Our study emphasizes that perhaps with barium enema, we may operate these infants in one stage so that they can get rid of multiphasic operation difficulties.

  16. Study of the immunoisolating effects of barium-alginate microencapsulation on rat islets allograft survival

    Institute of Scientific and Technical Information of China (English)

    Mei Zhang; Chao Liu; Cuiping Liu; Youwen Qin; Zhaosun Zhen


    Objective: To evaluate the immunoisolating effects of barium-alginate microencapsulation on islets allograft survival. Methods: The nonmicroencapsulated and microencapsulated islets were transplanted under the kidney capsule or intraperitoneally into Wistar rat with STZ-induced diabetes. The blood glucose and insulin secretion of grafts were observed. Graft function was tested by oral rats was associated with normal glucose and insulin profiles in response to OGTT. Conclusion: Microencapsulation with barium-alginate membrane can prolong islet survival and protect islets against allorejection.

  17. Hydrogenation reaction characteristics and properties of its hydrides for magnetic regenerative material HoCu2

    Institute of Scientific and Technical Information of China (English)

    金滔; 吴梦茜; 黄迦乐; 汤珂; 陈立新


    The hydrogenation reaction characteristics and the properties of its hydrides for the magnetic regenerative material HoCu2 (CeCu2-type) of a cryocooler were investigated. The XRD testing reveals that the hydrides of HoCu2 were a mixture of Cu, unknown hydride I, and unknown hydride II. Based on the PCT (pressure−concentration−temperature) curves under different reaction temperatures, the relationships among reaction temperature, equilibrium pressure, and maximum hydrogen absorption capacity were analyzed and discussed. The enthalpy changeΔH and entropy changeΔS as a result of the whole hydrogenation process were also calculated from the PCT curves. The magnetization and volumetric specific heat capacity of the hydride were also measured by SQUID magnetometer and PPMS, respectively.

  18. Getting metal-hydrides to do what you want them to

    Energy Technology Data Exchange (ETDEWEB)

    Gruen, D.M.


    With the discovery of AB/sub 5/ compounds, intermetallic hydrides with unusual properties began to be developed (H dissociation pressures of one to several atmospheres, extremely rapid and reversible adsorption/desorption very large amounts of H adsorbed). This paper reviews the factors that must be controlled in order to modify these hydrides to make them useful. The system LaNi/sub 5/ + H/sub 2/ is used as example. Use of AB/sub 5/ hydrides to construct a chemical heat pumps is discussed. Results of a systematic study substituting Al for Ni are reported; the HYCSOS pump is described briefly. Use of hydrides as hydrogen getters (substituted ZrV/sub 2/) is also discussed. Finally, possible developments in intermetallic hydride research in the 1980's and the hydrogen economy are discussed. 10 figures. (DLC)

  19. Single-Site Tetracoordinated Aluminum Hydride Supported on Mesoporous Silica. From Dream to Reality!

    KAUST Repository

    Werghi, Baraa


    The reaction of mesoporous silica (SBA15) dehydroxylated at 700 °C with diisobutylaluminum hydride, i-Bu2AlH, gives after thermal treatment a single-site tetrahedral aluminum hydride with high selectivity. The starting aluminum isobutyl and the final aluminum hydride have been fully characterized by FT-IR, advanced SS NMR spectroscopy (1H, 13C, multiple quanta (MQ) 2D 1H-1H, and 27Al), and elemental analysis, while DFT calculations provide a rationalization of the occurring reactivity. Trimeric i-Bu2AlH reacts selectively with surface silanols without affecting the siloxane bridges. Its analogous hydride catalyzes ethylene polymerization. Indeed, catalytic tests show that this single aluminum hydride site is active in the production of a high-density polyethylene (HDPE). © 2016 American Chemical Society.

  20. Another Look at the Mechanisms of Hydride Transfer Enzymes with Quantum and Classical Transition Path Sampling. (United States)

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


    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.

  1. Assessing nanoparticle size effects on metal hydride thermodynamics using the Wulff construction. (United States)

    Kim, Ki Chul; Dai, Bing; Karl Johnson, J; Sholl, David S


    The reaction thermodynamics of metal hydrides are crucial to the use of these materials for reversible hydrogen storage. In addition to altering the kinetics of metal hydride reactions, the use of nanoparticles can also change the overall reaction thermodynamics. We use density functional theory to predict the equilibrium crystal shapes of seven metals and their hydrides via the Wulff construction. These calculations allow the impact of nanoparticle size on the thermodynamics of hydrogen release from these metal hydrides to be predicted. Specifically, we study the temperature required for the hydride to generate a H(2) pressure of 1 bar as a function of the radius of the nanoparticle. In most, but not all, cases the hydrogen release temperature increases slightly as the particle size is reduced.

  2. Hydrogenase Enzymes and Their Synthetic Models: The Role of Metal Hydrides. (United States)

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


    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.

  3. Evaluation of hydride blisters in zirconium pressure tube in CANDU reactor

    Energy Technology Data Exchange (ETDEWEB)

    Cheong, Y. M.; Kim, Y. S.; Gong, U. S.; Kwon, S. C.; Kim, S. S.; Choo, K.N


    When the garter springs for maintaining the gap between the pressure tube and the calandria tube are displaced in the CANDU reactor, the sagging of pressure tube results in a contact to the calandria tube. This causes a temperature difference between the inner and outer surface of the pressure tube. The hydride can be formed at the cold spot of outer surface and the volume expansion by hydride dormation causes the blistering in the zirconium alloys. An incident of pressure tube rupture due to the hydride blisters had happened in the Canadian CANDU reactor. This report describes the theoretical development and models on the formation and growth of hydride blister and some experimental results. The evaluation methodology and non-destructive testing for hydride blister in operating reactors are also described.

  4. Barium swallow study in routine clinical practice: a prospective study in patients with chronic cough

    Directory of Open Access Journals (Sweden)

    Carlos Shuler Nin


    Full Text Available OBJECTIVE: To assess the routine use of barium swallow study in patients with chronic cough.METHODS: Between October of 2011 and March of 2012, 95 consecutive patients submitted to chest X-ray due to chronic cough (duration > 8 weeks were included in the study. For study purposes, additional images were obtained immediately after the oral administration of 5 mL of a 5% barium sulfate suspension. Two radiologists systematically evaluated all of the images in order to identify any pathological changes. Fisher's exact test and the chi-square test for categorical data were used in the comparisons.RESULTS: The images taken immediately after barium swallow revealed significant pathological conditions that were potentially related to chronic cough in 12 (12.6% of the 95 patients. These conditions, which included diaphragmatic hiatal hernia, esophageal neoplasm, achalasia, esophageal diverticulum, and abnormal esophageal dilatation, were not detected on the images taken without contrast. After appropriate treatment, the symptoms disappeared in 11 (91.6% of the patients, whereas the treatment was ineffective in 1 (8.4%. We observed no complications related to barium swallow, such as contrast aspiration.CONCLUSIONS: Barium swallow improved the detection of significant radiographic findings related to chronic cough in 11.5% of patients. These initial findings suggest that the routine use of barium swallow can significantly increase the sensitivity of chest X-rays in the detection of chronic cough-related etiologies.

  5. Synthesis of nonstoichiometric M-type barium ferrite nanobelt by spark plasma sintering method

    Institute of Scientific and Technical Information of China (English)

    ZHAO Wenyu; ZHANG Qingjie; TANG Xinfeng; CHENG Haibin


    This study investigated the feasibility of ultrafast crystallization of M-type barium ferrite when the coprecipitation precursors in stoichiometric proportions as BaFe12O19, Fe(OH)3 and BaCO3 nanoparticles, had been heated by spark plasma sintering (SPS) process. The results show that SPS method may realize the ultrafast crystallization of M-type barium ferrite, absolutely prevent the crystallization of intermediate phase α-Fe2O3, and significantly decrease the crystallization temperature of M-type barium ferrite. The sintered samples obtained at 800℃ by sintering the precursors for 10 minutes are a kind of multiphase ferrites composed of major phase M-type barium ferrite and trace amount of BaFe0.24Fe0.76O2.88. It is discovered that M-type barium ferrites in the holes of the sintered samples are in nanobelt microstructure about 100-300 nm in width and several micrometers in length. These M-type barium ferrite nanobelts are non-stoichiometric and may be expressed as BaFe12+Xo19+1.5x (-4.77≤x≤6.50). Their composistions suggest completely random Fe-rich or Ba-rich domains.

  6. Experimental studies on 3D printing of barium titanate ceramics for medical applications

    Directory of Open Access Journals (Sweden)

    Schult Mark


    Full Text Available The present work deals with the 3D printing of porous barium titanate ceramics. Barium titanate is a biocompatible material with piezoelectric properties. Due to insufficient flowability of the starting material for 3D printing, the barium titanate raw material has been modified in three different ways. Firstly, barium titanate powder has been calcined. Secondly, flow additives have been added to the powder. And thirdly, flow additives have been added to the calcined powder. Finally, a polymer has been added to the three materials and specimens have been printed from these three material mixtures. The 3D printed parts were then sintered at 1320°C. The sintering leads to shrinkage which differs between 29.51–71.53% for the tested material mixtures. The porosity of the parts is beneficial for cell growth which is relevant for future medical applications. The results reported in this study demonstrate the possibility to fabricate porous piezoelectric barium titanate parts with a 3D printer that can be used for medical applications. 3D printed porous barium titanate ceramics can especially be used as scaffold for bone tissue engineering, where the bone formation can be promoted by electrical stimulation.

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

    Energy Technology Data Exchange (ETDEWEB)

    Paxton, Blaine Kermit [Univ. of California, Berkeley, CA (United States). Dept. of Chemical Engineering


    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.


    Energy Technology Data Exchange (ETDEWEB)

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


    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.

  9. Electrochemical process and production of novel complex hydrides (United States)

    Zidan, Ragaiy


    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. Geoneutrinos and Hydridic Earth (or primordially Hydrogen-Rich Planet)

    CERN Document Server

    Bezrukov, L


    Geoneutrino is a new channel of information about geochemical composition of the Earth. We alnalysed here the following problem. What statistics do we need to distinguish between predictions of Bulk Silicate Earth model and Hydridic Earth model for Th/U signal ratio? We obtained the simple formula for estimation of error of Th/U signal ratio. Our calculations show that we need more than $22 kt \\cdot year$ exposition for Gran-Sasso underground laboratory and Sudbury Neutrino Observatory. We need more than $27 kt \\cdot year$ exposition for Kamioka site in the case of stopping of all Japanese nuclear power plants.

  11. Modeling of Gallium Nitride Hydride Vapor Phase Epitaxy (United States)

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


    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. Alkyl and Hydride-Olefin Complexes of Niobocene

    NARCIS (Netherlands)

    Klazinga, A.H.; Teuben, J.H.


    Reactions of Cp2NbCl2 with RMgCl (R = n-C3H7, i-C3H7, n-C4H9, s-C4H9 and n-C5H11) give niobocene hydride olefin complexes Cp2Nb(H)L (L = C3H6, C4H8 and C5H10). The last step of the reaction probably proceeds via a stereospecific β-H elimination from the monoalkyl species Cp2NbR. Decomposition of n-a

  13. Comparison between different reactions of group IV hydride with H

    Institute of Scientific and Technical Information of China (English)

    ZHANG; Shaolong; ZHANG; Xuqiang; ZHANG; Qinggang; ZHANG; Yici


    The four-dimensional time-dependent quantum dynamics calculations for reactions of group IV hydride with H are carried out by employing the semirigid vibrating rotor target model and the time-dependent wave packet method. The reaction possibility, cross section and rate constants for reactions (H+SiH4 and H+GeH4) in different initial vibrational and rotational states are obtained. The common feature for such kind of reaction process is summarized. The theoretical result is consistent with available measurement, which indicates the credibility of this theory and the potential energy surface.

  14. Effects of Ca additions on some Mg-alloy hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Lupu, D.; Biris, A.; Indrea, E.; Bucur, R.V.


    The hydrogenation of the alloy of composition CaMg/sub 1/ /sub 8/Ni/sub 0/ /sub 5/ containing CaMg/sub 2/ and MgNi/sub 2/ shows fast activation kinetics. The Mg/sub 2/Ni phase is observed in the dehydrided samples. The three plateaus on the hydrogen desorption isotherms correspond to the most stable magnesium hydrides observed up to now in Mg-alloy ( H = 20 to 24 kcal/mol H/sub 2/). The effects of Ca additions on the hydrogen storage capacity and desorption rates of some Mg-rich alloys have been studied. 16 references, 3 figures, 1 table.

  15. Bipolar Nickel-Metal Hydride Battery Development Project (United States)

    Cole, John H.


    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.

  16. Research in Nickel/Metal Hydride Batteries 2016

    Directory of Open Access Journals (Sweden)

    Kwo-Hsiung Young


    Full Text Available Nineteen papers focusing on recent research investigations in the field of nickel/metal hydride (Ni/MH batteries have been selected for this Special Issue of Batteries. These papers summarize the joint efforts in Ni/MH battery research from BASF, Wayne State University, the National Institute of Standards and Technology, Michigan State University, and FDK during 2015–2016 through reviews of basic operational concepts, previous academic publications, issued US Patent and filed Japan Patent Applications, descriptions of current research results in advanced components and cell constructions, and projections of future works.

  17. Equilibrium composition for the reaction of plutonium hydride with air

    Institute of Scientific and Technical Information of China (English)


    There are six independent constituents with 4 chemical elements, i.e. PuH2.7(s), PuN(s), Pu2O3(s), N2, O2 and H2, therefore , the system described involves of 2 independent reactions ,both those of the experimental, which indicates that the chemical equilibrium is nearly completely approached. Therefore, it is believed that the reaction rate of plutonium hydride with air is extremely rapid. The present paper has briefly discussed the simultaneous reactions and its thermodynamic coupling effect.

  18. The first barium tin(II) bromide fluoride (United States)

    Dénès, Georges; Merazig, Hocine; Muntasar, Abdualhafeed; Porterfield, Robyn


    In an effort to prepare barium tin(II) bromide fluorides for the first time, possibly similar to the chloride fluorides obtained earlier in our laboratory, precipitation reactions were carried out by mixing aqueous solutions of SnF2 and of BaBr2.2H2O. In contrast with the chloride fluoride system, a single powdered phase was obtained throughout the SnF2 - BaBr2 system, with the yield being maximum at X ≈ 0.25, where X is the molar fraction of barium bromide in the reaction mixture. Phase identification with the JCPDS database failed to produce a match, confirming that a new phase had been produced. The exact chemical composition of the new compound has not been obtained yet. Based on the X value for the maximum yield, the Sn/Ba ratio is likely to be 3/1 or 2/1. The Mössbauer spectrum at ambient conditions shows that bonding to tin(II) is covalent, therefore with the tin lone pair being stereoactive. The Mössbauer parameters ( δ = 3.68 mm/s, Δ = 0.99 mm/s) are similar to those of SnBrF and of Sn2BrF5, thereby showing that tin is bonded to both fluorine and bromine. The larger isomer shift and lower quadrupole splitting than in tin(II) fluorides show that the stereoactivity of the tin lone pair is lower than in the fluorides. The Mössbauer parameters fit well the linear correlation of the quadrupole splitting versus the isomer shift" that has been shown to be present in other series of tin(II) compounds. The linear decrease on this correlation shows that the contribution of non-spherical orbitals ( p and d) to the lone pair is a much larger contributor to the quadrupole splitting than lattice distortions. The structure is likely made of Ba2+ cations and tin(II) fluoride bromide polyatomic anions, with covalent bonding withinthe anions.

  19. Enthalpy of formation of (In, Gd)-doped barium cerate

    Energy Technology Data Exchange (ETDEWEB)

    Matskevich, N.I., E-mail: [Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, 630090 Novosibirsk (Russian Federation); Karlsruhe Institute of Technology, Institute of Solid State Physics, D-76334 Karlsruhe (Germany); Wolf, Th. [Karlsruhe Institute of Technology, Institute of Solid State Physics, D-76334 Karlsruhe (Germany); Adelmann, P.; Semerikova, A.N.; Anyfrieva, O.I. [Nikolaev Institute of Inorganic Chemistry, Siberian Branch of the Russian Academy of Sciences, 630090 Novosibirsk (Russian Federation)


    Highlights: • BaCe{sub 0.7}Gd{sub 0.2}In{sub 0.1}O{sub 2.85} was prepared by solid-state reaction. • The standard formation enthalpy was determined. • The stabilization energy (Δ{sub st}H°) was calculated. • Δ{sub st}H° of BaCe{sub 0.7}Gd{sub 0.2}In{sub 0.1}O{sub 2.85} is higher than BaCe{sub 0.7}Nd{sub 0.2}In{sub 0.1}O{sub 2.85} and BaCeO{sub 3}. - Abstract: Solution enthalpies of barium cerate doped by gadolinium and indium and a mixture of BaCl{sub 2} + 0.7CeCl{sub 3} + 2GdCl{sub 3} + 0.1InCl{sub 3} have been measured in 1 mol dm{sup −3} HCl with 0.1 mol dm{sup −3} KI. For the first time the standard molar formation enthalpy of BaCe{sub 0.7}Gd{sub 0.2}In{sub 0.1}O{sub 2.85} has been determined by solution calorimetry as follows: Δ{sub f}H° (298.15 K) = −1615.84 ± 9.01 kJ mol{sup −1}. The stabilization energy for above-mentioned compound has been calculated as well. It has been shown that barium cerate doped gadolinium and indium has higher stabilization energy than BaCe{sub 0.7}Nd{sub 0.2}In{sub 0.1}O{sub 2.85} and BaCeO{sub 3}. The reaction enthalpy with CO{sub 2} interaction has been calculated for BaCe{sub 0.7}Gd{sub 0.2}In{sub 0.1}O{sub 2.85}.

  20. Optimization of multiroute synthesis for polyaniline-barium ferrite composites

    Energy Technology Data Exchange (ETDEWEB)

    Ben Ghzaiel, Tayssir, E-mail: [Université de Tunis El Manar Faculté des Sciences de Tunis, UR11ES18 Unité de Recherche de Chimie Minérale Appliquée, 2092, Tunis (Tunisia); SATIE, ENS Cachan, CNRS, Université Paris-Saclay, 61 av du Président Wilson, F-94230, Cachan (France); Dhaoui, Wadia [Université de Tunis El Manar Faculté des Sciences de Tunis, UR11ES18 Unité de Recherche de Chimie Minérale Appliquée, 2092, Tunis (Tunisia); Pasko, Alexander; Mazaleyrat, Frédéric [SATIE, ENS Cachan, CNRS, Université Paris-Saclay, 61 av du Président Wilson, F-94230, Cachan (France)


    A comparative study of physicochemical and magnetic properties of Polyaniline-BaFe{sub 12}O{sub 19} composites prepared by Solid-Based Polymerization (SBP) and by Aqueous-Based Polymerization (ABP) is carried out. The composites obtained by the latter method underwent a grinding to study the influence of shear stress. Thus, in a systematic approach, an investigation of stirring effect was done by synthesizing these composites using aqueous-based polymerization but without mechanical stirring. Different mass ratio of BaFe{sub 12}O{sub 19} was used to explore their impact on composites properties. X-ray diffraction, FTIR, SEM, TGA, conductivity and vibrating sample magnetometer measurements were performed. Structural and morphological investigations confirmed the presence of polyaniline and barium hexaferrite phase, which were in interaction in the composites regardless the polymerization route. The powder obtained by solid-based pathway revealed distinct particles with uniform distribution for various compositions (wt. %) of BaFe{sub 12}O{sub 19} in Pani, while the composites obtained by aqueous-based polymerization presented agglomerated nanostructures. Thermogravimetric analysis exhibited an improved thermal stability for Pani-BaFe{sub 12}O{sub 19} obtained by solid-based route. The electric conductivity has displayed decreasing trend of DC conductivity with the increase of BaFe{sub 12}O{sub 19} particles in the polymer matrix. Magnetic studies showed a ferromagnetic behaviour for all composites. The saturation magnetization monotonously increased with the increasing of BaFe{sub 12}O{sub 19} amount. The magnetic properties of the powders were mainly related to the hexaferrite loading which was determined using measured magnetic data. These results revealed that magnetization saturation was dependant of volume fraction of ferrite in the composites which was significantly affected by the reaction medium and mechanical stirring. The powders obtained by solid

  1. Defect Chemistry and Microstructure of Complex Perovskite Barium Zinc Niobate (United States)

    Peng, Ping


    This dissertation presents a systematic study of the characterization of the phase transitions, microstructures, defects and transport properties of undoped and doped complex perovskite barium zinc niobate (BZN). Complex perovskite BZN is a paraelectric material while its parent material barium titanate is ferroelectric. With codoping of (Zn + 2Nb) into Ti site, BaTiO_3 shows three distinguished features. First, the Curie temperature is lowered; second, the three phase transitions (cubic-tetragonal-orthorhombic-rhombohedral) coalesce; and lastly, the transition becomes diffuse showing a typical 2nd order phase transition compared with 1st order in undoped BaTiO_3. Complex microchemical ordering is another characteristic of BZN. Stoichiometric BZN shows a mixture of two types of ordering schemes. 1:1, 1:2 ordered microdomains and the disordered matrix co-exist. The 1:1 type ordering involves an internal charge imbalance which inhibits the growth of 1:1 type of ordered microdomains. The 1:2 type ordering is consistent with the chemical composition of BZN. These ordering patterns can be modified by either adjustment of the Zn/Nb ratio or by doping. The defect structure of the stoichiometric BZN is closely related to that of BaTiO_3. Stoichiometric BZN is an insulator with wide band gap (~ 3.70 eV). Undoped BZN has a high oxygen vacancy concentration which comes from three possible sources, such as unavoidable acceptor impurities, due to their natural abundance, Zn/Nb ratio uncertainty due to processing limitations, and high temperature ZnO loss due to sintering process. The oxygen vacancy concentration for undoped BZN lays in the neighborhood of 1500 ppm (atm.). The compensation defects for various dopants have also been identified. Both electrons and holes conduct by a small polaron mechanism. Various thermodynamic parameters, such as enthalpies of oxidation and reduction, mass action constants for intrinsic electronic disorder, oxidation and reduction have been

  2. Identification and characterization of a new zirconium hydride; Identification et caracterisation d'un nouvel hydrure de zirconium

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Zhao; Morniroli, J.P.; Legris, A.; Thuinet, L. [Universite des Sciences et Technologies de Lille, USTL, ENSCL, CNRS, 59 - Villeneuve d' Ascq (France); Zhao, Zhao; Blat-Yrieix, M.; Ambard, A.; Legras, L. [Electricite de France (EDF/RD), Centre des Renardieres, 77 - Moret sur Loing (France); Kihn, Y. [CEMES-CNRS, 31 - Toulouse (France)


    A study of hydrides characterization has been carried out in using the transmission electron microscopy technique. It has revealed the presence of small hydrides of acicular form whose length does not exceed 500 nm, among the zircaloy-4 samples hydrided by cathodic way. The electronic diffraction has shown that these small hydrides have a crystallographic structure different of those of the hydrides phases already index in literature. A more complete identification study has then been carried out. In combining the different electronic microscopy techniques (precession electronic micro diffraction and EELS) with ab initio calculations, a new hydride phase has been identified. It is called hydride {zeta}, is of trigonal structure with lattice parameters a{sub {zeta}} = a{sub {alpha}}{sub Zr} = 0.33 nm and c{sub {zeta}} 2c{sub {alpha}}{sub Zr} = 1.029 nm, its spatial group being P3m1. (O.M.)

  3. Interstellar chemistry of nitrogen hydrides in dark clouds

    CERN Document Server

    Gal, Romane Le; Faure, Alexandre; Forêts, Guillaume Pineau des; Rist, Claire; Maret, Sébastien


    The aim of the present work is to perform a comprehensive analysis of the interstellar chemistry of nitrogen, focussing on the gas-phase formation of the smallest polyatomic species and in particular nitrogen hydrides. We present a new chemical network in which the kinetic rates of critical reactions have been updated based on recent experimental and theoretical studies, including nuclear spin branching ratios. Our network thus treats the different spin symmetries of the nitrogen hydrides self-consistently together with the ortho and para forms of molecular hydrogen. This new network is used to model the time evolution of the chemical abundances in dark cloud conditions. The steady-state results are analysed, with special emphasis on the influence of the overall amounts of carbon, oxygen, and sulphur. Our calculations are also compared with Herschel/HIFI observations of NH, NH$_2$, and NH$_3$ detected towards the external envelope of the protostar IRAS 16293-2422. The observed abundances and abundance ratios ...

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

    Energy Technology Data Exchange (ETDEWEB)

    Miller, W.H. [Univ. of Missouri, Columbia, MO (United States); Farkas, D.M.; Lutz, D.R. [General Electric Co., Pleasanton, CA (United States)


    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.

  5. Thermodynamic properties of the cubic plutonium hydride solid solution

    Energy Technology Data Exchange (ETDEWEB)

    Haschke, J M


    Pressure, temperature, and composition data for the cubic solid solution plutonium hydride phase, PuH/sub x/, have been measured by microbalance methods. Integral enthalpies and entropies of formation have been evaluated for the composition range 1.90 less than or equal to X less than or equal to 3.00. At 550/sup 0/K, 0/ /sub f/(PuH/sub x/(s)) varies linearly from approximately (-38 +- 1) kcal mol/sup -1/ at PuH/sub 190/ to (-50 +- 1 kcal mol/sup -1/) at PuH/sub 3/ /sub 00/. Thermochemical values obtained by reevaluating tensimetric data from the literature are in excellent agreement with these results. Isotopic effects have been quantified by comparing the results for hydride and deuteride, and equations are presented for predicting 0/ /sub f/ and 0/ /sub f/ values for PuH/sub x/(s) and PuD/sub x/(s).

  6. Gallium Nitride Nanowires Grown by Hydride Vapor Phase Epitaxy

    Institute of Scientific and Technical Information of China (English)

    LIU Zhan-Hui; XIU Xiang-Qan; YAN Huai-Yue; ZHANG Rong; XIE Zi-Li; HAN Ping; SHI Yi; ZHENG You-Dou


    @@ GaN nanowires are grown by hydride vapor phase epitaxy using nickel as a catalyst.The properties of the obtained GaN nanowires are characterized by scanning and transmission electron microscopy,electron diffraction,roomtemperature photoluminescence and energy dispersive spectroscopy.The results show that the nanowires are wurtzite single crystals growing along the[0001]direction and a redshift in the photoluminescence is observed due to a superposition of several effects.The Raman spectra are close to those of the bulk GaN and the significantly broadening of those modes indicates the phonon confinement effects associated with the nanoscale dimensions of the system.%GaN nanowires are grown by hydride vapor phase epitaxy using nickel as a catalyst. The properties of the obtained GaN nanowires are characterized by scanning and transmission electron microscopy, electron diffraction, room-temperature photoluminescence and energy dispersive spectroscopy. The results show that the nanowires are wurtzite single crystals growing along the [0001] direction and a redshift in the photoluminescence is observed due to a superposition of several effects. The Raman spectra are close to those of the bulk GaN and the significantly broadening of those modes indicates the phonon confinement effects associated with the nanoscale dimensions of the system.

  7. Thermodynamic Calculation on the Formation of Titanium Hydride

    Institute of Scientific and Technical Information of China (English)

    Jing-wei Zhao; Hua Ding; Xue-feng Tian; Wen-juan Zhao; Hong-liang Hou


    A modified Miedema model, using interrelationship among the basic properties of elements Ti and H, is employed to calculate the standard enthalpy of formation of titanium hydride TiHx (1≤x≤2). Based on Debye theories of solid thermal capacity, the vibrational entropy, as well as electronic entropy, is acquired by quantum mechanics and statistic thermodynamics methods, and a new approach is presented to calculate the standard entropy of formation of Till2. The values of standard enthalpy of formation of TiHx decrease linearly with increase of x. The calculated results of standard enthalpy, entropy, and free energy of forma- tion of Till2 at 298.16 K are -142.39 kJ/mol, -143.0 J/(mol-K) and -99.75 k J/tool, respectively, which is consistent with the previously-reported data obtained by either experimental or theoretical calculation methods. The results show that the thermodynamic model for titanium hydride is reasonable.

  8. Electronic structure of the palladium hydride studied by compton scattering

    CERN Document Server

    Mizusaki, S; Yamaguchi, M; Hiraoka, N; Itou, M; Sakurai, Y


    The hydrogen-induced changes in the electronic structure of Pd have been investigated by Compton scattering experiments associated with theoretical calculations. Compton profiles (CPs) of single crystal of Pd and beta phase hydride PdH sub x (x=0.62-0.74) have been measured along the [100], [110] and [111] directions with a momentum resolution of 0.14-0.17 atomic units using 115 keV x-rays. The theoretical Compton profiles have been calculated from the wavefunctions obtained utilizing the full potential linearized augmented plane wave method within the local density approximation for Pd and stoichiometric PdH. The experimental and the theoretical results agreed well with respect to the difference in the CPs between PdH sub x and Pd, and the anisotropy in the CPs of Pd or PdH sub x. This study provides lines of evidence that upon hydride formation the lowest valance band of Pd is largely modified due to hybridization with H 1s-orbitals and the Fermi energy is raised into the sp-band. (author)

  9. Electronic Principles of Hydrogen Incorporation and Dynamics in Metal Hydrides

    Directory of Open Access Journals (Sweden)

    Ljiljana Matović


    Full Text Available An approach to various metal hydrides based on electronic principles is presented. The effective medium theory (EMT is used to illustrate fundamental aspects of metal-hydrogen interaction and clarify the most important processes taking place during the interaction. The elaboration is extended using the numerous existing results of experiment and calculations, as well as using some new material. In particular, the absorption/desorption of H in the Mg/MgH2 system is analyzed in detail, and all relevant initial structures and processes explained. Reasons for the high stability and slow sorption in this system are noted, and possible solutions proposed. The role of the transition-metal impurities in MgH2 is briefly discussed, and some interesting phenomena, observed in complex intermetallic compounds, are mentioned. The principle mechanism governing the Li-amide/imide transformation is also discussed. Latterly, some perspectives for the metal-hydrides investigation from the electronic point of view are elucidated.

  10. Superconductive "sodalite"-like clathrate calcium hydride at high pressures

    CERN Document Server

    Wang, Hui; Tanaka, Kaori; Iitaka, Toshiaki; Ma, Yanming


    Hydrogen-rich compounds hold promise as high-temperature superconductors under high pressures. Recent theoretical hydride structures on achieving high-pressure superconductivity are composed mainly of H2 fragments. Through a systematic investigation of Ca hydrides with different hydrogen contents using particle-swam optimization structural search, we show that in the stoichiometry CaH6 a body-centred cubic structure with hydrogen that forms unusual "sodalite" cages containing enclathrated Ca stabilizes above pressure 150 GPa. The stability of this structure is derived from the acceptance by two H2 of electrons donated by Ca forming a "H4" unit as the building block in the construction of the 3-dimensional sodalite cage. This unique structure has a partial occupation of the degenerated orbitals at the zone centre. The resultant dynamic Jahn-Teller effect helps to enhance electron-phonon coupling and leads to superconductivity of CaH6. A superconducting critical temperature (Tc) of 220-235 K at 150 GPa obtained...


    Energy Technology Data Exchange (ETDEWEB)

    Hardy, B.; Corgnale, C.; Tamburello, D.; Garrison, S.; Anton, D.


    The design and evaluation of media based hydrogen storage systems requires the use of detailed numerical models and experimental studies, with significant amount of time and monetary investment. Thus a scoping tool, referred to as the Acceptability Envelope, was developed to screen preliminary candidate media and storage vessel designs, identifying the range of chemical, physical and geometrical parameters for the coupled media and storage vessel system that allow it to meet performance targets. The model which underpins the analysis allows simplifying the storage system, thus resulting in one input-one output scheme, by grouping of selected quantities. Two cases have been analyzed and results are presented here. In the first application the DOE technical targets (Year 2010, Year 2015 and Ultimate) are used to determine the range of parameters required for the metal hydride media and storage vessel. In the second case the most promising metal hydrides available are compared, highlighting the potential of storage systems, utilizing them, to achieve 40% of the 2010 DOE technical target. Results show that systems based on Li-Mg media have the best potential to attain these performance targets.

  12. Mechanism of Phase Transformation and Formation of Barium Hexaferrite Doped with Rare-Earths in Sol-Gel Process

    Institute of Scientific and Technical Information of China (English)

    甘树才; 洪广言; 张军; 车平; 唐娟


    The phase-transformation in sol-gel preparation of barium hexaferrite and the formation of barium hexaferrite doped with La3+ were studied by chemical phase analysis, X-ray diffraction and infrared spectrometry analysis. The experimental results show that phase transformation reactions of FeCO3, Fe2O3 and BaFe2O4, barium hexaferrite and γ-Fe2O3 take place in the heat treatment of gel. While the doping lanthanide ion replace barium ion, an equivalent quantity of Fe3+ are reduced to Fe2+ to maintain the charge equilibrium.

  13. A deformation and thermodynamic model for hydride precipitation kinetics in spent fuel cladding

    Energy Technology Data Exchange (ETDEWEB)

    Stout, R.B.


    Hydrogen is contained in the Zircaloy cladding of spent fuel rods from nuclear reactors. All the spent fuel rods placed in a nuclear waste repository will have a temperature history that decreases toward ambient; and as a result, most all of the hydrogen in the Zircaloy will eventually precipitate as zirconium hydride platelets. A model for the density of hydride platelets is a necessary sub-part for predicting Zircaloy cladding failure rate in a nuclear waste repository. A model is developed to describe statistically the hydride platelet density, and the density function includes the orientation as a physical attribute. The model applies concepts from statistical mechanics to derive probable deformation and thermodynamic functionals for cladding material response that depend explicitly on the hydride platelet density function. From this model, hydride precipitation kinetics depend on a thermodynamic potential for hydride density change and on the inner product of a stress tensor and a tensor measure for the incremental volume change due to hydride platelets. The development of a failure response model for Zircaloy cladding exposed to the expected conditions in a nuclear waste repository is supported by the US DOE Yucca Mountain Project. 19 refs., 3 figs.

  14. [Investigation of enhancing effect for hydride generation-atomic fluorescence of transition metal elements]. (United States)

    Sun, Han-Wen; Suo, Ran


    A mechanism of hydride generation based on disassembly reaction of hydrogen-transferred interim state [M(BH4)m]* was developed by investigating the effect of reaction medium acidity on hydride generation. The effects of Co2+ and Ni2+, phenanthroline and 8-hydroxyquinoline on hydride generation-atomic fluorescence signals of Zn, Cd, Cu and Ni were studied, respectively, and their enhancing mechnism was discussed. The enhancing effect Co2+ and Ni2+ on the fluorescence signals of Zn and Cd was due to the increase in transmission efficiency of hydride of Zn and Cd. There was a synergic enhancing effect between phenanthroline or 8-hydroxyquinoline and Co2+ on the fluorescence signals of Zn and Cd, however no synergic enhancing effect between phenanthroline and 8-hydroxyquinoline on the fluorescence signals of Zn and Cd. The simulative action of cationic surfactant, anion surfactant and non-ionic surfactant surfactant to hydride generation was investigated. It is shown that both cationic surfactant and non-ionic surfactant have obvious enhancing effect on the fluorescence signals of analytes because of the decrease in surface tension of reaction solution. The release characteristics of hydride from the absorption solution containing surfactant was ulteriorly examined by using graphite furnace atomic absorption spectrometry, and the mechanism of enhancing effect of surfactant on hydride generation and transmission was proposed.

  15. Main Group Lewis Acid-Mediated Transformations of Transition-Metal Hydride Complexes. (United States)

    Maity, Ayan; Teets, Thomas S


    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.

  16. Insertion of Group 12-16 Hydrides into NHCs: A Theoretical Investigation. (United States)

    Iversen, Kalon J; Dutton, Jason L; Wilson, David


    The endocyclic ring expansion of N-heterocyclic carbene (NHC) rings by transition metal (Group 12) and main group (Group 13-16) element hydrides has been investigated in a computational study. In addition to previously reported insertion reactivity with Si, B, Be and Zn, similar reactivity is predicted to be feasible for heavier group 13 elements (Al, Ga, In, Tl), with the reaction barriers for Al-Tl calculated to be lower than for boron. Insertion is not expected with group 15-16 element hydrides, as the initial adduct formation is thermodynamically unfavourable. The reaction pathway with group 12 hydrides is calculated to be more favourable with two NHCs rather than a single NHC (analogous to Be), however hydride ring insertion with metal dihydrides is not feasible, but rather a reduced NHC is thermodynamically favoured. For group 14, ring-insertion reactivity is predicted to be feasible with the heavier dihydrides. Trends in reactivity of element hydrides may be related to the protic or hydridic character of the element hydrides.

  17. Dielectric and Impedance Spectroscopy of Barium Bismuth Vanadate Ferroelectrics (United States)

    Sutar, B. C.; Choudhary, R. N. P.; Das, Piyush R.


    Structural, micro-structural and electrical properties of barium bismuth vanadate Ba(Bi0.5V0.5)O3 ceramics were investigated. X-ray diffraction (XRD) analysis of the prepared material confirmed the formation of the compound with monoclinic crystal system. Scanning electron microscopy (SEM) of the compound exhibits well-defined grains that are uniformly distributed throughout the surface of the sample. Dielectric properties of the compound were studied as a function of temperature at different frequencies. An observation of dielectric anomaly at 295 °C is due to ferroelectric phase transition that was later confirmed by the appearance of hysteresis loop. Detailed studies of complex impedance spectroscopy have provided a better understanding of the relaxation process and correlations between the microstructure-electrical properties of the materials. The nature of frequency dependence of ac conductivity obeys the Debye power law. The dc conductivity, calculated from the ac conductivity spectrum, shows the negative temperature coefficient of resistance behavior similar to that of a semiconductor.

  18. NLTE Strontium and Barium in metal poor red giant stars

    CERN Document Server

    Short, C I


    We present atmospheric models of red giant stars of various metallicities, including extremely metal poor (XMP, [Fe/H]<-3.5) models, with many chemical species, including, significantly, the first two ionization stages of Strontium (Sr) and Barium (Ba), treated in Non-Local Thermodynamic Equilibrium (NLTE) with various degrees of realism. We conclude that 1) for all lines that are useful Sr and Ba abundance diagnostics the magnitude and sense of the computed NLTE effect on the predicted line strength is metallicity dependent, 2) the indirect NLTE effect of overlap between Ba and Sr transitions and transitions of other species that are also treated in NLTE non-negligibly enhances NLTE abundance corrections for some lines, 3) the indirect NLTE effect of NLTE opacity of other species on the equilibrium structure of the atmospheric model is not significant, 4) the computed NLTE line strengths differ negligibly if collisional b-b and b-f rates are an order of magnitude smaller or larger than those calculated wi...

  19. On-line ultrasonic characterisation of barium doped lanthanum perovskites

    Energy Technology Data Exchange (ETDEWEB)

    Thamilmaran, P.; Arunachalam, M. [Department of Physics, Sri SRNM College, Sattur 626203, Tamil Nadu (India); Research scholars in Physics, Manonmanium Sundaranar University, Tirunelveli 627012 Tamil Nadu (India); Sankarrajan, S. [Department of Physics, Unnamalai Institute of Technology, Kovilpatti 628503, Tamil Nadu (India); Sakthipandi, K., E-mail: [Department of Physics, Sethu Institute of Technology, Kariapatti 626115, Tamil Nadu (India)


    Perovskite manganite samples La{sub 1−x}Ba{sub x}MnO{sub 3} with the composition of x=0.30, 0.33 and 0.36 were prepared by employing solid state reaction technique. The X-ray diffraction (XRD) patterns confirmed the rhombhedral structure with R3c space group of the samples. The obtained energy dispersive analysis X-rays (EDX) spectra of the samples have confirmed the elemental composition of the samples. The scanning electron microscope (SEM) images of the samples were used to find out the size of the particles. In-situ ultrasonic measurements were carried out on the samples by through transmission method. The temperature dependence of the ultrasonic parameters revealed interesting features of the samples. The observed ultrasonic velocities and attenuation both in longitudinal and shear mode are related to the paramagnetic (PM) to ferromagnetic (FM) phase transition in the prepared samples. The results confirmed that an increase in the barium content in the sample leads to an increase in the phase transition temperature T{sub C}.

  20. Barium oxide, calcium oxide, magnesia, and alkali oxide free glass (United States)

    Lu, Peizhen Kathy; Mahapatra, Manoj Kumar


    A glass composition consisting essentially of about 10-45 mole percent of SrO; about 35-75 mole percent SiO.sub.2; one or more compounds from the group of compounds consisting of La.sub.2O.sub.3, Al.sub.2O.sub.3, B.sub.2O.sub.3, and Ni; the La.sub.2O.sub.3 less than about 20 mole percent; the Al.sub.2O.sub.3 less than about 25 mole percent; the B.sub.2O.sub.3 less than about 15 mole percent; and the Ni less than about 5 mole percent. Preferably, the glass is substantially free of barium oxide, calcium oxide, magnesia, and alkali oxide. Preferably, the glass is used as a seal in a solid oxide fuel/electrolyzer cell (SOFC) stack. The SOFC stack comprises a plurality of SOFCs connected by one or more interconnect and manifold materials and sealed by the glass. Preferably, each SOFC comprises an anode, a cathode, and a solid electrolyte.

  1. Review on dielectric properties of rare earth doped barium titanate (United States)

    Ismail, Fatin Adila; Osman, Rozana Aina Maulat; Idris, Mohd Sobri


    Rare earth doped Barium Titanate (BaTiO3) were studied due to high permittivity, excellent electrical properties and have wide usage in various applications. This paper reviewed on the electrical properties of RE doped BaTiO3 (RE: Lanthanum (La), Erbium (Er), Samarium (Sm), Neodymium (Nd), Cerium (Ce)), processing method, phase transition occurred and solid solution range for complete study. Most of the RE doped BaTiO3 downshifted the Curie temperature (TC). Transition temperature also known as Curie temperature, TC where the ceramics had a transition from ferroelectric to a paraelectric phase. In this review, the dielectric constant of La-doped BaTiO3, Er-doped BaTiO3, Sm-doped BaTiO3, Nd-doped BaTiO3 and Ce-doped BaTiO3 had been proved to increase and the transition temperature or also known as TC also lowered down to room temperature as for all the RE doped BaTiO3 except for Er-doped BaTiO3.

  2. Growth and characterization of barium oxide nanoclusters on YSZ(111)

    Energy Technology Data Exchange (ETDEWEB)

    Nachimuthu, Ponnusamy; Kim, Yong Joo; Kuchibhatla, Satyanarayana V N T; Yu, Zhongqing; Jiang, Weilin; Engelhard, Mark H.; Shutthanandan, V.; Szanyi, Janos; Thevuthasan, Suntharampillai


    Barium oxide (BaO) was grown on YSZ(111) substrate by oxygen-plasma-assisted molecular beam epitaxy (OPA-MBE). In-situ reflection high-energy electron diffraction, ex-situ x-ray diffraction, atomic force microscopy and x-ray photoelectron spectroscopy have confirmed that the BaO grows as clusters on YSZ(111). During and following the growth under UHV conditions, BaO remains in single phase. When exposed to ambient conditions, the clusters transformed to BaCO3 and/or Ba(OH)2 H2O. However, in a few attempts of BaO growth, XRD results show a fairly single phase cubic BaO with a lattice constant of 0.5418(1) nm. XPS results show that exposing BaO clusters to ambient conditions results in the formation BaCO3 on the surface and partly Ba(OH)2 throughout in the bulk. Based on the observations, it is concluded that the BaO nanoclusters grown on YSZ(111) are highly reactive in ambient conditions. The variation in the reactivity of BaO between different attempts of the growth is attributed to the cluster size.

  3. Colonic diverticulosis: evaluation with double contrast barium enema

    Energy Technology Data Exchange (ETDEWEB)

    Ko, Jae Kook; Lee, Jong Koo; Yun, Eun Joo; Moon, Hee Jung; Shin, Hyun Ja [Korea Veterans Hospital, Seoul (Korea, Republic of)


    To evaluate the pattern of colonic diverticulosis according to age and sex, and recent trend. The authors retrospectively reviewed 120 cases of colonic diverticulosis in 1,020 patients who had undergone a double contrast barium enema examination between January 1st, 1993, and December 31st, 1995, and analyzed the frequency, size, multiplicity and anatomical site, according to age and sex. Diverticulum size was classified into one of three groups : less than 5mm, 5-10mm, over 10mm in diameter. The overall incidence of colonic diverticulosis was 120 cases among 1,020 patients(11.8%) with an incidence 5.3 times higher in males than in females. Peak incidence was in the fifth decade, with 19 cases (15.8%) among males, and after the sixth decade, with four cases(3.3%) among females. Mean age was 57.7 years. Diverticulum size of 5-10mm in diameter was predominant (2% of cases); average diameter was 5-6mm. The incidence of colonic diverticulosis was 5.1 times more frequent in the right colon (101 cases) than in the left (20 cases). The overall incidence of colonic diverticulosis has continually increased; in addition it has also recently increased slightly in left-sided colon. This is thought to be due to various factors, both congenital and acquired, including longer life with good health care, constipation, irritable bowel syndrome, stress and the tendency of eating patterns to more closely resemble those of the west.

  4. Sintering and foaming of barium silicate glass powder compacts (United States)

    Mueller, Ralf; Reinsch, Stefan; Agea-Blanco, Boris


    The manufacture of sintered glasses and glass-ceramics, glass matrix composites and glass-bounded ceramics or pastes is often affected by gas bubble formation. Against this background, we studied sintering and foaming of barium silicate glass powders used as SOFC sealants using different powder milling procedures. Sintering was measured by means of heating microscopy backed up by XPD, DTA, Vacuum Hot Extraction (VHE) and optical and electron microscopy. Foaming increased significantly as milling progressed. For moderately milled glass powders, subsequent storage in air could also promote foaming. Although the powder compacts were uniaxially pressed and sintered in air, the milling atmosphere sig¬ni¬ficantly affected foaming. The strength of this effect increased in the order Ar ? N2 encapsulated CO2, even for powders milled in Ar and N2. Results of this study thus indicate that foaming is caused by carbonaceous species trapped on the glass powder surface. Foaming could be substantially reduced by milling in water and 10 wt% HCl.

  5. Abundance analysis of s-process enhanced barium stars

    CERN Document Server

    Mahanta, Upakul; Goswami, Aruna; Duorah, Kalpana


    Detailed chemical composition studies of stars with enhanced abundances of neutron-capture elements can provide observational constraints for neutron-capture nucleosynthesis studies and clues for understanding their contribution to the Galactic chemical enrichment. We present abundance results from high-resolution spectral analyses of a sample of four chemically peculiar stars characterized by s-process enhancement. High-Resolution spectra (R ~ 42000) of these objects spanning a wavelength range from 4000 to 6800 A, are taken from the ELODIE archive. We have estimated the stellar atmospheric parameters, the effective temperature T_eff, the surface gravity log g, and metallicity [Fe/H] from local thermodynamic equilibrium analysis using model atmospheres. We report estimates of elemental abundances for several neutron-capture elements, Sr, Y, Zr, Ba, La, Ce, Pr, Nd, Sm, Eu and Dy. While HD 49641 and HD 58368 show [Ba/Fe] > 1.16 the other two objects HD 119650 and HD 191010 are found to be mild barium stars wit...

  6. Crystallographic properties of magnetron sputtered barium ferrite films

    Energy Technology Data Exchange (ETDEWEB)

    Capraro, S. [Laboratoire DIOM, University of Saint-Etienne, 23 rue Michelon, 42023 Saint-Etienne Cedex (France)]. E-mail:; Berre, M. Le [LPM, UMR 5511, INSA Lyon, 7 av. Jean Capelle, 69621 Villeurbanne Cedex (France); Chatelon, J.P. [Laboratoire DIOM, University of Saint-Etienne, 23 rue Michelon, 42023 Saint-Etienne Cedex (France); Bayard, B. [Laboratoire DIOM, University of Saint-Etienne, 23 rue Michelon, 42023 Saint-Etienne Cedex (France); Joisten, H. [CEA-LETI, 17 rue des martyrs, 38041 Grenoble Cedex (France); Canut, C. [LPMCN, University Lyon I, 43 Bvd. du 11 novembre 1918, 69622 Villerbanne, Cedex (France); Barbier, D. [LPM, UMR 5511, INSA Lyon, 7 av. Jean Capelle, 69621 Villeurbanne Cedex (France); Rousseau, J.J. [Laboratoire DIOM, University of Saint-Etienne, 23 rue Michelon, 42023 Saint-Etienne Cedex (France)


    The development of devices combining a ferrite with a semiconductor chip is a major focus of current research. Barium hexaferrite (BaFe{sub 12}O{sub 19} or BaM) thick films are deposited here using a RF magnetron sputtering system. Films are amorphous and non magnetic after deposition. Post-deposition thermal annealing is employed to make the films crystallize. The effects of the substrate, thermal annealing process, thickness, substrate temperature on crystallographic properties and stoichiometry are studied using a X-ray diffractometry (XRD) and Rutherford back-scattering (RBS). The in-depth homogeneity of Ba, Fe and O is evaluated by secondary ion mass spectroscopy (SIMS). The study shows a good crystallization of BaM films and there is a preferential orientation among the crystallographic planes (1 0 1), (2 0 0), (2 0 3), (1 0 2), (1 1 0) and (2 0 5) when BaM films are prepared at low RF power and when the substrate is heated. For several elaboration parameters, grains size is in the range of 25 and 40 nm and BaM films are stoichiometric with regard to the target stoichiometry.

  7. Sintering and foaming of barium silicate glass powder compacts

    Directory of Open Access Journals (Sweden)

    Ralf Mueller


    Full Text Available The manufacture of sintered glasses and glass-ceramics, glass matrix composites and glass-bounded ceramics or pastes is often affected by gas bubble formation. Against this background, we studied sintering and foaming of barium silicate glass powders used as SOFC sealants using different powder milling procedures. Sintering was measured by means of heating microscopy backed up by XPD, DTA, Vacuum Hot Extraction (VHE and optical and electron microscopy. Foaming increased significantly as milling progressed. For moderately milled glass powders, subsequent storage in air could also promote foaming. Although the powder compacts were uniaxially pressed and sintered in air, the milling atmosphere sig¬ni¬ficantly affected foaming. The strength of this effect increased in the order Ar  N2 < air < CO2. Conformingly, VHE studies revealed that the pores of foamed samples predominantly encapsulated CO2, even for powders milled in Ar and N2. Results of this study thus indicate that foaming is caused by carbonaceous species trapped on the glass powder surface. Foaming could be substantially reduced by milling in water and 10 wt% HCl.

  8. Combustion synthesis, characterization and luminescence properties of barium aluminate phosphor

    Institute of Scientific and Technical Information of China (English)

    AH Wako; FB Dejene; HC Swart


    The blue-green emitting Eu2+and Nd3+ doped polycrystalline barium aluminate (BaAl2O4:Eu2+,Nd3+) phosphor, was pre-pared by a solution-combustion method at 500 ºC without a post-annealing process. The characteristic variation in the structural and luminescence properties of the as-prepared samples was evaluated with regards to a change in the Ba/Al molar ratio from 0.1:1 to 1.4:1. The morphologies and the phase structures of the products were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS), while the optical properties were investigated using ultra-violet (UV) and photoluminescence (PL) spectroscopy, respectively. The XRD and TEM results revealed that the average crystallite size of the BaAl2O4:Eu2+,Nd3+ phosphor was about 70 nm. The broad-band UV-excited luminescence of the phosphors was observed atλmax=500 nm due to transitions from the 4f65d1 to the 4f7 configuration of the Eu2+ ion. The PL results indi-cated that the main peaks in the emission and excitation spectrum of phosphor particles slightly shifted to the short wavelength due to the changes in the crystal field due to the structure changes caused by the variation in the quantity of the Ba ions in the host lattice.

  9. Enhanced photocatalytic hydrogen generation from barium tantalate composites. (United States)

    Marschall, Roland; Soldat, Julia; Busser, G Wilma; Wark, Michael


    (111)-layered Ba5Ta4O15 photocatalysts were synthesised by a solid state reaction route and a citrate synthesis route, and their structural and electronic properties were investigated. After citrate route preparation, the presence of a second phase, namely Ba3Ta5O15, was determined by X-ray powder diffraction and absorption spectroscopy. The existence of this phase had a profound effect on the photocatalytic activity of this Ba5Ta4O15/Ba3Ta5O15 composite in comparison to the pure Ba5Ta4O15 materials. The photocatalytic performance of the barium tantalates was evaluated by investigating the capability in ˙OH radical formation and hydrogen generation. Strongly increased hydrogen evolution rates for the Ba5Ta4O15/Ba3Ta5O15 composite, up to 160% higher than for the pure Ba5Ta4O15, were determined, and only very small amounts of Rh co-catalyst, deposited on the photocatalysts by stepwise reductive photo-deposition, were needed to achieve these results.

  10. Abdominal actinomycosis: barium enema and computed tomography findings. (United States)

    Uchiyama, N; Ishikawa, T; Miyakawa, K; Iinuma, G; Nakajima, H; Ushio, K; Yokota, T; Akasu, T; Shimoda, T


    A case of abdominal actinomycosis is described in a woman with recurrent right lower abdominal pain and low-grade fever without history of appendectomy. Past history included the use of an intrauterine device (IUD) until 10 years before manifestation of these symptoms. We followed up the patient, via diagnostic imaging, for 7 months. On initial barium enema, a polypoid lesion was visualized at the bottom of the cecum and there was constriction of the sigmoid colon; the appendix was not seen. Seven months later, poor extension at the cecum, severe constriction in the sigmoid colon, and narrowing of the terminal ileum were also visualized. On computed tomography (CT), the lesion was initially localized only in the ileocecal region adjacent to the sigmoid colon. After 7 months, the lesion had infiltrated adjacent anatomic components and showed direct infiltration of the pelvic space. Differential diagnosis was difficult, as it was not obvious whether this was a pelvic abscess due to inflammation or appendiceal carcinoma. Laparotomy was performed. Macroscopically, the lesion was not limited to the ileocecal region, but involved the right ureter, tubes the Fallopian and ovary, bladder, psoas muscle, and abdominal wall. Pathology findings showed, chronic inflammatory tissue with evidence of actinomycosis. Although previous reports have described a lack of specific findings in this disease. When actinomycosis is suspected, CT is recommended to define its extent.

  11. Rapid and accurate determination of barium by instrumental neutron activation analysis

    Energy Technology Data Exchange (ETDEWEB)

    Armelin, Maria Jose A.; Maihara, Vera A.; Saiki, Mitiko, E-mail:, E-mail:, E-mail: [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Trevizam, Anderson R., E-mail: [Universidade Estadual do Centro Oeste (UNICENTRO), Guarapuava, PR (Brazil)


    Barium is an alkaline earth metal naturally present in soils. When available at a high level in the soil it can cause toxicity to plants and animals. Not all the barium is readily available to living organisms. Inorganic and organic barium compounds can be presented as soluble or insoluble forms in the soil. The soluble form of BaS is extremely toxic to humans, animals and plants. Researchers have noted a decrease of K absorption in the plant when Ba concentrations are increased and a change in overall plant growth. In case of animals, Ba tends to be concentrated in the bones which may compete with calcium, although only about 2% barium ingested in dietary is absorbed by the body. Another effect is that the Ba can interfere with the availability of sulfur in the soil due to the sulphate formation of low solubility. Barium and some other elements are considered palioclimatic proxies. For some researchers, barite is perhaps the most appropriate indicator of paleoproductivity because of a high resistance to dissolution. As explained about the barium effects in various situations, it was considered important to study the more appropriated experimental conditions for determination of this element by INAA. Conditions established for this analysis were: a) Irradiation time, 15 and 40 seconds, under thermal flux neutron about 4 x 10{sup 12} n cm{sup -2} s{sup -1}, for determining barium in geological and biological matrices, respectively; b) Decay time, approximately of 4 minutes; c) Counting time of 30 minutes; d) Radionuclide measured {sup 139}Ba. The quality of Ba results was evaluated from the analysis of certified reference materials. The performance of the method was satisfactory, according to the criterion of E.ζ score. Results obtained in this study indicate INAA is a good alternative for Ba determination in geological and biological samples. (author)

  12. An 8-year review of barium studies in the diagnosis of gastroparesis

    Energy Technology Data Exchange (ETDEWEB)

    Levin, A.A. [Department of Radiology, Hospital of University of Pennsylvania, Philadelphia, PA (United States); Levine, M.S. [Department of Radiology, Hospital of University of Pennsylvania, Philadelphia, PA (United States)], E-mail:; Rubesin, S.E.; Laufer, I. [Department of Radiology, Hospital of University of Pennsylvania, Philadelphia, PA (United States)


    Aim: To determine the utility of barium studies for diagnosing gastroparesis in patients with nausea, vomiting, or other related symptoms. Materials and methods: Radiology files revealed gastroparesis without gastric outlet obstruction on upper gastrointestinal tract barium studies in 50 patients with nausea, vomiting, and other related symptoms. Original reports and images were reviewed to determine whether gastric peristalsis was decreased/absent and to investigate gastric dilatation, fluid or debris, and delayed emptying of barium. Twenty patients (40%) had nuclear gastric emptying studies. Medical records were reviewed to determine the presentation, treatment, and course. The diagnosis of gastroparesis was considered accurate if patients with gastroparesis on barium studies responded to treatment. Results: Forty-six patients (92%) had predisposing factors for gastroparesis, including narcotics and diabetes. Forty-five patients (90%) presented with nausea or vomiting, and 40 patients (80%) had one or more other symptoms, including bloating, early satiety, postprandial fullness, and abdominal pain. Barium studies revealed decreased gastric peristalsis in 46 (92%) of the 50 patients and absent peristalsis in four (8%); 46 patients (92%) had additional findings, including gastric dilatation in 30 (60%), delayed emptying of barium in 27 (54%), debris in 28 (56%; bezoars in three), and retained fluid in 13 (26%). Thirteen (65%) of 20 patients with nuclear gastric emptying studies had delayed emptying of solids and seven (35%) had normal emptying. Thirty-five (83%) of 42 patients treated for gastroparesis had symptomatic improvement versus two (25%) of eight patients not treated. Conclusion: Patients with nausea, vomiting, or other related symptoms who have gastroparesis without gastric outlet obstruction on barium studies can be treated for this condition on the basis of the clinical and radiographic findings.

  13. Gastrointestinal tract labeling for MDCT of abdomen: Comparison of low density barium and low density barium in combination with water

    Energy Technology Data Exchange (ETDEWEB)

    Gulati, Kavita; Shah, Zarine K.; Sainani, Nisha; Uppot, Raul; Sahani, Dushyant V. [Massachusetts General Hospital and Harvard Medical School, Department of Abdominal Imaging and Intervention, Boston, MA (United States)


    The purpose of the study was to compare the quality of stomach and small bowel marking/labeling using 1,350 ml of low-density barium alone (Volumen) with 900 ml of low-density barium and 450 ml of water for 16-MDCT scans of the abdomen and pelvis and assess cost benefits with the two protocols. In this IRB approved study, 80 consecutive patients scheduled for routine CECT (contrast-enhanced CT) of the abdomen-pelvis were studied. Patients were randomized into two groups and were administered either 1,350 ml of VoLumen (two bottles at 20-min intervals, one half bottle at 50 min and the last half on the table) or 900 ml of Volumen (two bottles at 20-min intervals and 450 ml water on the table). Portal venous phase scanning (detector collimation = 0.625 mm, speed = 18.75 mm, thickness = 5 mm) was subsequently performed. Images were reconstructed in axial and coronal plane at the CT console. Two blinded readers used a pre-designed template to assess distension and wall characteristics of the stomach and small bowel on a 5-point scale. Median scores with the two protocols were compared using the Wilcoxon rank sum test. The stomach and small bowel labeling was rated fair to optimal in all patients and did not differ significantly in the two protocols. The mean scores for distension of the small bowel and stomach were comparable. Inter-observer agreement for bowel labeling was found to be excellent (k 0.81). With the use of coronal images there was increased reader confidence in tracing the small bowel with both protocols. Acceptance for two bottles of Volumen and water was greater among patients as compared to three bottles of VoLumen. Use of two bottles of Volumen and water combination cost less than three bottles of Volumen. Stomach and small bowel labeling with administration of 900 ml of Volumen followed by 450 ml of water is cost effective and compares well to 1,350 ml of Volumen alone. (orig.)

  14. 氯化钡除杂制取高纯氢氧化钡%Preparation of high purity barium hydroxide by impurity - removed barium chloride

    Institute of Scientific and Technical Information of China (English)

    翁贤芬; 毛逢银; 何琳; 李莉


    Removal technology of strontium and iron from crude barium chloride raw material were studied.Optimization of process conditions of strontium and iron removal were discussed.When crude barium chloride stiring and dissolving the mixture at 60 ℃ for 40 min,impurities of stromtium and calcuim can be removed and mass fraction of strontium in the obatined solid barium chloride was below 1×10-4.Then add oxydol (H2O2) at proportion of 100 g raw materials per 8 mL H2O2,and add active carbon and small quantity of sodium hydroxide.Finally,iron could be get rid of when pH was controlled below 10.Mass fraction of iron in barium hydroxide product was less than 1×10-5 when using the iron - removed barium chaloride as raw material.Therefore,purified barium chloride by this method can be used to produce purity barium hydroxide.%研究了粗氯化钡原料中锶和铁杂质的脱除工艺,探讨了脱除锶和铁的优化工艺条件.在粗氯化钡原料中加入去离子水,液固质量比为0.25: 1,在60 ℃下搅拌溶解40 min,可除去锶和钙杂质,所得氯化钡固体中锶质量分数低于1×10-4.在氯化钡溶液中加入双氧水,每100 g原料中加入双氧水8 mL,加入活性炭和少量氢氧化钠,控制pH低于10时,可除去铁杂质,用除铁后的氯化钡制取氢氧化钡,产品中铁质量分数低于1×10-5.用除杂后的氯化钡可制得高纯氢氧化钡.

  15. Development of a used fuel cladding damage model incorporating circumferential and radial hydride responses (United States)

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


    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Qiushi, E-mail: [Glenn Department of Civil Engineering, Clemson University, Clemson, SC 29634 (United States); Ostien, Jakob T., E-mail: [Mechanics of Materials Dept. 8256, Sandia National Laboratories, P.O. Box 969, Livermore, CA 94551-0969 (United States); Hansen, Glen, E-mail: [Computational Multiphysics Dept. 1443, Sandia National Laboratories, P.O. Box 5800, Albuquerque, NM 87185-1321 (United States)


    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 J{sub 2} 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.

  17. The storage of hydrogen in the form of metal hydrides: An application to thermal engines (United States)

    Gales, C.; Perroud, P.


    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.

  18. Solid hydrides as hydrogen storage reservoirs; Hidruros solidos como acumuladores de hidrogeno

    Energy Technology Data Exchange (ETDEWEB)

    Fernandez, A.; Sanchez, C.; Friedrichs, O.; Ares, J. R.; Leardini, F.; Bodega, J.; Fernandez, J. F.


    Metal hydrides as hydrogen storage materials are briefly reviewed in this paper. Fundamental properties of metal-hydrogen (gas) system such as Pressure-Composition-Temperature (P-C-T) characteristics are discussed on the light of the metal-hydride thermodynamics. Attention is specially paid to light metal hydrides which might have application in the car and transport sector. The pros and cons of MgH{sub 2} as a light material are outlined. Researches in course oriented to improve the behaviour of MgH{sub 2} are presented. Finally, other very promising alternative materials such as Al compounds (alanates) or borohydrides as light hydrogen accumulators are also considered. (Author)

  19. Hückel's Rule of Aromaticity Categorizes Aromatic Closo Boron Hydride Clusters


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


    A direct connection is established between tridimensional aromatic closo boron hydride clusters and planar aromatic [n]annulenes for medium and large size boron clusters. In particular, our results prove the existence of a link between the two-dimensional Hückel rule followed by aromatic [n]-annulenes and Wade-Mingos' rule of three-dimensional aromaticity applied to the aromatic [BnHn]2- closo boron hydride clusters. Our results show that closo boron hydride clusters can be categorized into d...

  20. Generalized computational model for high-pressure metal hydrides with variable thermal properties

    DEFF Research Database (Denmark)

    Mazzucco, Andrea; Rokni, Masoud


    This study considers a detailed 1D fueling model applied to a metal hydride system, with Ti1.1CrMn as the absorbing alloy, to predict the weight fraction of the absorbed hydrogen and the solid bed temperature. Dependencies of thermal conductivity and specific heat capacity upon pressure...... and hydrogen content, respectively, are accounted for by interpolating experimental data. The effect of variable parameters on the critical metal hydride thickness is investigated and compared to results obtained from a constant-parameter analysis. Finally, the discrepancy in the metal hydride thickness value...

  1. Thermal decomposition kinetics of titanium hydride and Al alloy melt foaming process

    Institute of Scientific and Technical Information of China (English)

    YANG; Donghui; HE; Deping; YANG; Shangrun


    A temperature programmed decomposition (TPD) apparatus with metal tube structure, in which Ar is used as the carrier gas, is established and the TPD spectrum of titanium hydride is acquired. Using consulting table method (CTM), spectrum superposition method (SSM) and differential spectrum technique, TPD spectrum of titanium hydride is separated and a set of thermal decomposition kinetics equations are acquired. According to these equations, the relationship between decomposition quantity and time for titanium hydride at the temperature of 940 K is obtained and the result well coincides with the Al alloy melt foaming process.

  2. Interaction of electrons with light metal hydrides in the transmission electron microscope. (United States)

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


    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.

  3. Barium Tagging in Solid Xenon for the nEXO Experiment (United States)

    Chambers, Christopher; Craycraft, Adam; Walton, Timothy; Fairbank, William; nEXO Collaboration


    The proposed nEXO experiment utilizes a tonne-scale liquid xenon time projection chamber to search for neutrinoless double beta decay in xenon-136. Positive observation of this decay would determine the nature of the neutrino to be a MAJORANA particle, as well as measure the absolute neutrino mass scale. A critical concern for any rare decay search is reducing or eliminating backgrounds that cannot be distinguished from signal. A powerful background discrimination technique is positive identification of the daughter atom of the decay, in this case barium. This technique, called ``barium tagging'' may be available for a second phase of nEXO operation, allowing for neutrino mass sensitivity beyond the inverted mass hierarchy. Development is underway on a scheme to capture the barium daughter in solid xenon with a cryogenic probe and detect the barium by laser-induced fluorescence inside the solid xenon sample. This presentation reports results on imaging of single barium atoms frozen in a solid xenon matrix, as well as the progress on the freezing and removal of a solid xenon sample from liquid xenon. Graduated.

  4. Fabrication of barium/strontium carbonate coated amorphous carbon nanotubes as an improved field emitter (United States)

    Maity, S.; Jha, A.; Das, N. S.; Chattopadhyay, K. K.


    Amorphous carbon nanotubes (aCNTs) were synthesized by a chemical reaction between ferrocene and ammonium chloride at a temperature ˜250 ∘C in an air furnace. As-synthesized aCNTs were coated with the barium/strontium carbonate through a simple chemical process. The coating of barium/strontium carbonate was confirmed by a high resolution transmission electron microscopy, X-ray diffraction, and Fourier transformed infrared spectroscopy. Morphology of the as-prepared samples was studied by field emission scanning electron microscopy. Thermal gravimetric analysis showed that barium/strontium carbonate coated aCNTs are more stable than the pristine aCNTs. As-prepared barium/strontium carbonate coated aCNTs showed significantly improved field emission properties with a turn-on field as low as 2.5 V/μm. The variation of field emission characteristics of the barium/strontium carbonate coated aCNTs with interelectrode distances was also studied.

  5. Determination of barium in surface and ground waters at Centro Experimental Aramar area

    Energy Technology Data Exchange (ETDEWEB)

    Matoso, Erika, E-mail: [Centro Tecnologico da Marinha em Sao Paulo (CEA/CTMS), Ipero, SP (Brazil). Centro Experimental Aramar; Cadore, Solange, E-mail: [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Instituto de Quimica. Departamento de Quimica Analica


    Barium can be found in waters up to 1 mg L{sup -1} and came from natural sources such as sedimentary rocks erosion rich in feldspar and barite. Also anthropogenic activities can release this element such as oil and gas industry, agricultural defensives, chemical industry and waste disposal. At high doses, barium can be harmful to human central nervous system and can also cause high blood pressure, heart problems, fatigue and anxiety. The water potability defined by Brazilian's Ministry of Healthy sets barium concentration up to 0.7 mg L{sup -1} and official regulation defines the same limit of this element to superficial waters (according CONAMA resolution 357/2005) and ground waters (Sao Paulo state regulation). In this work, barium was analyzed monthly in superficial waters from 4 different sampling locations, located in a ratio of 10-km-long from Centro Experimental Aramar (CEA) at Ipanema River, during one year, in order to evaluate the river in different conditions (seasons, temperature and rain period). The ground water was collected every six months. The analytical technique applied was ICP OES and the method conditions were optimized: wavelength, linearity, signal background ratio, detection and quantification limits. Data obtained in this work will contribute to evaluate the presence of barium at CEA region and nearby in order to compare it with current Brazilian regulations. (author)

  6. SALT reveals the barium central star of the planetary nebula Hen 2-39

    CERN Document Server

    Miszalski, B; Jones, D; Karakas, A I; Köppen, J; Tyndall, A A; Mohamed, S S; Rodríguez-Gil, P; Santander-García, M


    Classical barium stars are binary systems which consist of a late-type giant enriched in carbon and slow neutron capture (s-process) elements and an evolved white dwarf (WD) that is invisible at optical wavelengths. The youngest observed barium stars are surrounded by planetary nebulae (PNe), ejected soon after the wind accretion of polluted material when the WD was in its preceeding asymptotic giant branch (AGB) phase. Such systems are rare but powerful laboratories for studying AGB nucleosynthesis as we can measure the chemical abundances of both the polluted star and the nebula ejected by the polluter. Here we present evidence for a barium star in the PN Hen 2-39. The polluted giant is very similar to that found in WeBo 1. It is a cool (Teff=4250 +/- 150 K) giant enhanced in carbon ([C/H]=0.42 +/- 0.02 dex) and barium ([Ba/Fe]=1.50 +/- 0.25 dex). A spectral type of C-R3 C_24 nominally places Hen 2-39 amongst the peculiar early R-type carbon stars, however the barium enhancement and likely binary status mea...

  7. Hydrogen Storage Engineering Center of Excellence Metal Hydride Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Motyka, T. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)


    The Hydrogen Storage Engineering Center of Excellence (HSECoE) was established in 2009 by the U.S. Department of Energy (DOE) to advance the development of materials-based hydrogen storage systems for hydrogen-fueled light-duty vehicles. The overall objective of the HSECoE is to develop complete, integrated system concepts that utilize reversible metal hydrides, adsorbents, and chemical hydrogen storage materials through the use of advanced engineering concepts and designs that can simultaneously meet or exceed all the DOE targets. This report describes the activities and accomplishments during Phase 1 of the reversible metal hydride portion of the HSECoE, which lasted 30 months from February 2009 to August 2011. A complete list of all the HSECoE partners can be found later in this report but for the reversible metal hydride portion of the HSECoE work the major contributing organizations to this effort were the United Technology Research Center (UTRC), General Motors (GM), Pacific Northwest National Laboratory (PNNL), the National Renewable Energy Laboratory (NREL) and the Savannah River National Laboratory (SRNL). Specific individuals from these and other institutions that supported this effort and the writing of this report are included in the list of contributors and in the acknowledgement sections of this report. The efforts of the HSECoE are organized into three phases each approximately 2 years in duration. In Phase I, comprehensive system engineering analyses and assessments were made of the three classes of storage media that included development of system level transport and thermal models of alternative conceptual storage configurations to permit detailed comparisons against the DOE performance targets for light-duty vehicles. Phase 1 tasks also included identification and technical justifications for candidate storage media and configurations that should be capable of reaching or exceeding the DOE targets. Phase 2 involved bench-level testing and

  8. Hydride-induced embrittlement of Zircaloy-4 cladding under plane-strain tension (United States)

    Daum, Robert S.

    The mechanical response of high-burnup Zircaloy-4 fuel cladding subjected to a postulated reactivity initiated accident (referred to as a rod ejection accident (REA) in a pressurized water reactor) can be affected by hydrogen embrittlement. This study addresses the hydrogen embrittlement of non-irradiated, stress-relieved Zircaloy-4 cladding under conditions (state of stress and temperature) relevant to those of a reactivity initiated accident. Specifically, the study has investigated the effects of a concentrated density of hydride particles (in the form of a rim at the outer surface of the cladding tube introduced by gas-charging) on the cladding ductility when tested under a near-plane-strain tension at 25, 300, and 375°C. The influence of the hydride-rim thickness and local hydrogen contents on cladding ductility is studied as a function of temperature and correlated with the hydride microstructure. Using synchrotron x-ray diffraction, this study has found that the delta-hydride phase (i.e., ZrHx, where x ≈ 1.66) is the predominant hydride phase to precipitate in stress-relieved Zircaloy-4 cladding for hydrogen contents up to 1250 wt ppm. At hydrogen contents above 2700 wt ppm, although delta-hydride is still the majority phase, both gamma- and epsilon-hydride phases are also observed. The volume fraction of hydrides was estimated as a function of hydrogen content, using the diffracted x-ray intensities. These estimated values agree well with calculated values assuming hydride precipitates are delta-hydride. Under near-plane-strain hoop tension, the ductility and fracture of the cladding is highly dependent on both the hydride-rim thickness and the testing temperature. At room temperature, due to a high density of hydride particles within the rim, a Mode I crack is injected shortly after yielding. This limits cladding ductility, such that it decreases with increasing thickness of the hydride rim. Cladding containing hydride rims with a thickness of ≥100

  9. High-Frequency (1)H NMR Chemical Shifts of Sn(II) and Pb(II) Hydrides Induced by Relativistic Effects: Quest for Pb(II) Hydrides. (United States)

    Vícha, Jan; Marek, Radek; Straka, Michal


    The role of relativistic effects on (1)H NMR chemical shifts of Sn(II) and Pb(II) hydrides is investigated by using fully relativistic DFT calculations. The stability of possible Pb(II) hydride isomers is studied together with their (1)H NMR chemical shifts, which are predicted in the high-frequency region, up to 90 ppm. These (1)H signals are dictated by sizable relativistic contributions due to spin-orbit coupling at the heavy atom and can be as large as 80 ppm for a hydrogen atom bound to Pb(II). Such high-frequency (1)H NMR chemical shifts of Pb(II) hydride resonances cannot be detected in the (1)H NMR spectra with standard experimental setup. Extended (1)H NMR spectral ranges are thus suggested for studies of Pb(II) compounds. Modulation of spin-orbit relativistic contribution to (1)H NMR chemical shift is found to be important also in the experimentally known Sn(II) hydrides. Because the (1)H NMR chemical shifts were found to be rather sensitive to the changes in the coordination sphere of the central metal in both Sn(II) and Pb(II) hydrides, their application for structural investigation is suggested.

  10. Sputtered Modified Barium Titanate for Thin-Film Capacitor Applications

    Directory of Open Access Journals (Sweden)

    Robert Mamazza


    Full Text Available New apparatus and a new process for the sputter deposition of modified barium titanate thin-films were developed. Films were deposited at temperatures up to 900 °C from a Ba0.96Ca0.04Ti0.82Zr0.18O3 (BCZTO target directly onto Si, Ni and Pt surfaces and characterized by X-ray diffraction (XRD, scanning electron microscopy (SEM and X-ray photoelectron spectroscopy (XPS. Film texture and crystallinity were found to depend on both deposition temperature and substrate: above 600 °C, the as-deposited films consisted of well-facetted crystallites with the cubic perovskite structure. A strongly textured Pt (111 underlayer enhanced the (001 orientation of BCZTO films deposited at 900 °C, 10 mtorr pressure and 10% oxygen in argon. Similar films deposited onto a Pt (111 textured film at 700 °C and directly onto (100 Si wafers showed relatively larger (011 and diminished intensity (00ℓ diffraction peaks. Sputter ambients containing oxygen caused the Ni underlayers to oxidize even at 700 °C: Raising the process temperature produced more diffraction peaks of NiO with increased intensities. Thin-film capacitors were fabricated using ~500 nm thick BCZTO dielectrics and both Pt and Ni top and bottom electrodes. Small signal capacitance measurements were carried out to determine capacitance and parallel resistance at low frequencies and from these data, the relative permittivity (er and resistivity (r of the dielectric films were calculated; values ranged from ~50 to >2,000, and from ~104 to ~1010 Ω∙cm, respectively.

  11. Evaluation of antibacterial properties of Barium Zirconate Titanate (BZT nanoparticle

    Directory of Open Access Journals (Sweden)

    Simin Mohseni


    Full Text Available So far, the antibacterial activity of some organic and inorganic compounds has been studied. Barium zirconate titanate [Ba(Zr xTi1-xO3] (x = 0.05 nanoparticle is an example of inorganic materials. In vitro studies have provided evidence for the antibacterial activity of this nanoparticle. In the current study, the nano-powder was synthesized by sol-gel method. X-ray diffraction showed that the powder was single-phase and had a perovskite structure at the calcination temperature of 1000 ºC. Antibacterial activity of the desired nanoparticle was assessed on two gram-positive (Staphylococcus aureus PTCC1431 and Micrococcus luteus PTCC1625 and two gram-negative (Escherichia coli HP101BA 7601c and clinically isolated Klebsiella pneumoniae bacteria according to Radial Diffusion Assay (RDA. The results showed that the antibacterial activity of BZT nano-powder on both gram-positive and gram-negative bacteria was acceptable. The minimum inhibitory concentration of this nano-powder was determined. The results showed that MIC values for E. coli, K. pneumoniae, M. luteus and S. aureus were about 2.3 µg/mL, 7.3 µg/mL, 3 µg/mL and 12 µg/mL, respectively. Minimum bactericidal concentration (MBC was also evaluated and showed that the growth of E. coli, K. pneumoniae, M. luteus and S. aureus could be decreased at 2.3, 14, 3 and 18 µg/mL of BZT. Average log reduction in viable bacteria count in time-kill assay ranged between 6 Log10 cfu/mL to zero after 24 h of incubation with BZT nanoparticle.

  12. Dose optimisation of double-contrast barium enema examinations. (United States)

    Berner, K; Båth, M; Jonasson, P; Cappelen-Smith, J; Fogelstam, P; Söderberg, J


    The purpose of the present work was to optimise the filtration and dose setting for double-contrast barium enema examinations using a Philips MultiDiagnost Eleva FD system. A phantom study was performed prior to a patient study. A CDRAD phantom was used in a study where copper and aluminium filtration, different detector doses and tube potentials were examined. The image quality was evaluated using the software CDRAD Analyser and the phantom dose was determined using the Monte Carlo-based software PCXMC. The original setting [100 % detector dose (660 nGy air kerma) and a total filtration of 3.5 mm Al, at 81 kVp] and two other settings identified by the phantom study (100 % detector dose and additional filtration of 1 mm Al and 0.2 mm Cu as well as 80 % detector dose and added filtration of 1 mm Al and 0.2 mm Cu) were included in the patient study. The patient study included 60 patients and up to 8 images from each patient. Six radiologists performed a visual grading characteristics study to evaluate the image quality. A four-step scale was used to judge the fulfillment of three image quality criteria. No overall statistical significant difference in image quality was found between the three settings (P > 0.05). The decrease in the effective dose for the settings in the patient study was 15 % when filtration was added and 34 % when both filtrations was added and detector dose was reduced. The study indicates that additional filtration of 1 mm Al and 0.2 mm Cu and a decrease in detector dose by 20 % from the original setting can be used in colon examinations with Philips MultiDiagnost Eleva FD to reduce the patient dose by 30 % without significantly affecting the image quality. For 20 exposures, this corresponds to a decrease in the effective dose from 1.6 to 1.1 mSv.

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

    Energy Technology Data Exchange (ETDEWEB)

    Keller, Jay O.; Klebanoff, Leonard E.


    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.

  14. Pressure-induced transformations of molecular boron hydride

    CERN Document Server

    Nakano, S; Gregoryanz, E A; Goncharov, A F; Mao Ho Kwang


    Decaborane, a molecular boron hydride, was compressed to 131 GPa at room temperature to explore possible non-molecular phases in this system and their physical properties. Decaborane changed its colour from transparent yellow to orange/red above 50 GPa and then to black above 100 GPa, suggesting some transformations. Raman scattering and infrared (IR) absorption spectroscopy reveal significant structural changes. Above 100 GPa, B-B skeletal, B-H and B-H-B Raman/IR peaks gradually disappeared, which implies a transformation into a non-molecular phase in which conventional borane-type bonding is lost. The optical band gap of the material at 100 GPa was estimated to be about 1.0 eV.

  15. Niche applications of metal hydrides and related thermal management issues

    Energy Technology Data Exchange (ETDEWEB)

    Lototskyy, M., E-mail: [HySA Systems Competence Centre, South African Institute for Advanced Materials Chemistry, Faculty of Natural Sciences, University of the Western Cape, Private Bag X17, Bellville 7535 (South Africa); Satya Sekhar, B. [HySA Systems Competence Centre, South African Institute for Advanced Materials Chemistry, Faculty of Natural Sciences, University of the Western Cape, Private Bag X17, Bellville 7535 (South Africa); Muthukumar, P. [Mechanical Department, Indian Institute of Technology Guwahati, Guwahati 781039 (India); Linkov, V.; Pollet, B.G. [HySA Systems Competence Centre, South African Institute for Advanced Materials Chemistry, Faculty of Natural Sciences, University of the Western Cape, Private Bag X17, Bellville 7535 (South Africa)


    Highlights: • MH H{sub 2} storage, compression & heat management: developments/thermal management. • Thermodynamic criteria for proper selection of MH for different gas phase applications. • Factors influencing on H{sub 2} charge/discharge dynamic performance and energy efficiency. • The improvement of MH heat transfer characteristics is crucial. • Ways of improvement of heat transfer in the MH systems. - Abstract: This short review highlights and discusses the recent developments and thermal management issues related to metal hydride (MH) systems for hydrogen storage, hydrogen compression and heat management (refrigeration, pump and upgrade, etc.). Special attention is paid to aligning the system features with the requirements of the specific application. The considered system features include the MH material, the MH bed on the basis of its corresponding MH container, as well as the layout of the integrated system.

  16. Crystal structure of the superconducting phase of sulfur hydride (United States)

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


    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.

  17. Modelling zirconium hydrides using the special quasirandom structure approach

    KAUST Repository

    Wang, Hao


    The study of the structure and properties of zirconium hydrides is important for understanding the embrittlement of zirconium alloys used as cladding in light water nuclear reactors. Simulation of the defect processes is complicated due to the random distribution of the hydrogen atoms. We propose the use of the special quasirandom structure approach as a computationally efficient way to describe this random distribution. We have generated six special quasirandom structure cells based on face centered cubic and face centered tetragonal unit cells to describe ZrH2-x (x = 0.25-0.5). Using density functional theory calculations we investigate the mechanical properties, stability, and electronic structure of the alloys. © the Owner Societies 2013.

  18. Modeling of hydride precipitation and re-orientation

    Energy Technology Data Exchange (ETDEWEB)

    Tikare, Veena [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Weck, Philippe F. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Mitchell, John Anthony [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)


    In this report, we present a thermodynamic-­based model of hydride precipitation in Zr-based claddings. The model considers the state of the cladding immediately following drying, after removal from cooling-pools, and presents the evolution of precipitate formation upon cooling as follows: The pilgering process used to form Zr-based cladding imparts strong crystallographic and grain shape texture, with the basal plane of the hexagonal α-Zr grains being strongly aligned in the rolling-­direction and the grains are elongated with grain size being approximately twice as long parallel to the rolling direction, which is also the long axis of the tubular cladding, as it is in the orthogonal directions.

  19. Shielding efficiency of metal hydrides and borohydrides in fusion reactors

    Directory of Open Access Journals (Sweden)

    Singh Vishvanath P.


    Full Text Available Mass attenuation coefficients, mean free paths and exposure buildup factors have been used to characterize the shielding efficiency of metal hydrides and borohydrides, with high density of hydrogen. Gamma ray exposure buildup factors were computed using five-parameter geometric progression fitting at energies 0.015 MeV to15 MeV, and for penetration depths up to 40 mean free paths. Fast-neutron shielding efficiency has been characterized by the effective neutron removal cross-section. It is shown that ZrH2 and VH2 are very good shielding materials for gamma rays and fast neutrons due to their suitable combination of low- and high-Z elements. The present work should be useful for the selection and design of blankets and shielding, and for dose evaluation for components in fusion reactors.

  20. Capture of liquid hydrogen boiloff with metal hydride absorbers (United States)

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


    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.

  1. Ovonic nickel metal hydride batteries for space applications (United States)

    Venkatesan, S.; Corrigan, D. A.; Fetcenko, M. A.; Gifford, P. R.; Dhar, S. K.; Ovshinsky, S. R.


    Ovonic nickel-metal hydride (NiMH) rechargeable batteries are easily adaptable to a variety of applications. Small consumer NiMH cells were developed and are now being manufactured by licensees throughout the world. This technology was successfully scaled up in larger prismatic cells aimed at electric vehicle applications. Sealed cells aimed at satellite power applications were also built and cycle tested by OBC and other outside agencies. Prototype batteries with high specific energy (over 80 Wh/kg), high energy density (245 Wh/L), and excellent power capability (400 W/kg) were produced. Ovonic NiMH batteries demonstrated an excellent cycle life of over 10,000 cycles at 30 percent DOD. Presently, Ovonic Battery Company is working on an advanced version of this battery for space applications as part of an SBIR contract from NASA.

  2. Metal hydride hydrogen compression: recent advances and future prospects (United States)

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


    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.

  3. Hydrogen generation from magnesium hydride by using organic acid (United States)

    Ho, Yen-Hsi

    In this paper, the hydrolysis of solid magnesium hydride has been studied with the high concentration of catalyst at the varying temperature. An organic acid (acetic acid, CH3COOH) has been chosen as the catalyst. The study has three objectives: first, using three different weights of MgH 2 react with aqueous solution of acid for the hydrogen generation experiments. Secondly, utilizing acetic acid as the catalyst accelerates hydrogen generation. Third, emphasizing the combination of the three operating conditions (the weight of MgH2, the concentration of acetic acid, and the varying temperature) influence the amount of hydrogen generation. The experiments results show acetic acid truly can increase the rate of hydrogen generation and the weight of MgH2 can affect the amount of hydrogen generation more than the varying temperature.

  4. In situ probing of surface hydrides on hydrogenated amorphous silicon using attenuated total reflection infrared spectroscopy

    CERN Document Server

    Kessels, W M M; Sanden, M C M; Aydil, E S


    An in situ method based on attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR) is presented for detecting surface silicon hydrides on plasma deposited hydrogenated amorphous silicon (a-Si:H) films and for determining their surface concentrations. Surface silicon hydrides are desorbed by exposing the a-Si:H films to low energy ions from a low density Ar plasma and by comparing the infrared spectrum before and after this low energy ion bombardment, the absorptions by surface hydrides can sensitively be separated from absorptions by bulk hydrides incorporated into the film. An experimental comparison with other methods that utilize isotope exchange of the surface hydrogen with deuterium showed good agreement and the advantages and disadvantages of the different methods are discussed. Furthermore, the determination of the composition of the surface hydrogen bondings on the basis of the literature data on hydrogenated crystalline silicon surfaces is presented, and quantification of the h...

  5. A micromechanical model for predicting hydride embrittlement in nuclear fuel cladding material (United States)

    Chan, K. S.


    A major concern about nuclear fuel cladding under waste repository conditions is that the slow cooling rate anticipated in the repository may lead to the formation of excessive radial hydrides, and cause embrittlement of the cladding materials. In this paper, the development of a micromechanical model for predicting hydride-induced embrittlement in nuclear fuel cladding is presented. The important features of the proposed model are: (1) the capability to predict the orientation, morphology, and types of hydrides under the influence of key variables such as cooling rate, internal pressure, and time, and (2) the ability to predict the influence of hydride orientation and morphology on the tensile ductility and fracture toughness of the cladding material. Various model calculations are presented to illustrate the characteristics and utilities of the proposed methodology. A series of experiments was also performed to check assumptions used and to verify some of the model predictions.

  6. The two steps thermal decomposition of titanium hydride and two steps foaming of Al alloy

    Institute of Scientific and Technical Information of China (English)

    SHANG Jintang; HE Deping


    Two steps foaming (TSF) technique was proposed to prepare shaped Al alloy foam. Based on the thermal decomposition kinetics equation of titanium hydride, the relationship between two steps thermal decomposition kinetics of titanium hydride and two steps foaming Al alloy melt was studied. Two steps thermal decomposition curve of titanium hydride under increasing and constant temperature was calculated respectively. The hydrogen mass needed in the second foaming step was also calculated. Results showed that the hydrogen mass of the second thermal decomposition of titanium hydride is enough for the second foaming step in the condition of as-received Al melt foaming. Experimental and theoretical results indicate that two steps foaming technique can be used to prepare Al alloy foam with high porosity, shaped components and sandwich with Al alloy foam core.

  7. Hydride precipitation kinetics in Zircaloy-4 studied using synchrotron X-ray diffraction (United States)

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


    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.

  8. Compensation Effect in the Hydrogenation/Dehydrogenation Kinetics of Metal Hydrides

    DEFF Research Database (Denmark)

    Andreasen, A.; Vegge, T.; Pedersen, Allan Schrøder


    The possible existence of a compensation effect, i.e. concurrent changes in activation energy and prefactor, is investigated for the hydrogenation and dehydrogenation kinetics of metal hydrides, by analyzing a series of reported kinetic studies on Mg and LaNi5 based hydrides. For these systems, we...... find a clear linear relation between apparent prefactors and apparent activation energies, as obtained from an Arrhenius analysis, indicating the existence of a compensation effect. Large changes in apparent activation energies in the case of Mg based hydrides are rationalized in terms of a dependency...... analysis rather than a physical phenomenon. In the case of LaNi5 based hydrides, observed scatter in reported apparent activation energies is less pronounced supporting the general experience that LaNi5 is less sensitive toward surface contamination....

  9. Concerted proton-coupled electron transfer from a metal-hydride complex. (United States)

    Bourrez, Marc; Steinmetz, Romain; Ott, Sascha; Gloaguen, Frederic; Hammarström, Leif


    Metal hydrides are key intermediates in the catalytic reduction of protons and CO2 as well as in the oxidation of H2. In these reactions, electrons and protons are transferred to or from separate acceptors or donors in bidirectional protoncoupled electron transfer (PCET) steps. The mechanistic interpretation of PCET reactions of metal hydrides has focused on the stepwise transfer of electrons and protons. A concerted transfer may, however, occur with a lower reaction barrier and therefore proceed at higher catalytic rates. Here we investigate the feasibility of such a reaction by studying the oxidation–deprotonation reactions of a tungsten hydride complex. The rate dependence on the driving force for both electron transfer and proton transfer—employing different combinations of oxidants and bases—was used to establish experimentally the concerted, bidirectional PCET of a metal-hydride species. Consideration of the findings presented here in future catalyst designs may lead to more-efficient catalysts.

  10. The diastereoselective synthesis of octahedral cationic iridium hydride complexes with a stereogenic metal centre. (United States)

    Humbert, Nicolas; Mazet, Clément


    We report herein the highly diastereoselective synthesis of octahedral cationic Ir(iii) hydride complexes with a stereogenic metal centre following various strategies. The configurational stability of these compounds has also been investigated.

  11. Speculations on the existence of hydride ions in proton conducting oxides

    DEFF Research Database (Denmark)

    Poulsen, F.W.


    The chemical and physical nature of the hydride ion is briefly treated. Several reactions of the hydride ion in oxides or oxygen atmosphere are given, A number of perovskites and inverse perovskites are listed. which contain the H- ion on the oxygen or B-anion sites in the archetype ABO(3) System....... H- is stable with respect to oxide and halide anions but, among cations only with respect to oxides and halides of strongly electropositive metals such as alkaline, alkaline-earth and main group III metals. H- is only stable in combination with transition metal ions of certain elements...... in their lowest positive oxidation state. Mixed oxide/hydride containing perovskites may thus exist. Steinsvik et al. have recently suggested a defect model for a perovskite including substitutional hydride ions on the oxygen site, H-O(.), and protons associated with a lattice oxygen, OHO.. The defect equations...

  12. Solar conversion by concentration cells with hydrides. [Based on hydrogen pressure differential across protonic conductor

    Energy Technology Data Exchange (ETDEWEB)

    Salomon, R.E.


    The efficiency of solar energy conversion in an electrochemical concentration cell which uses a metal hydride chemisorber is evaluated. It is shown that both constant volume and constant pressure cells can achieve the Carnot efficiency in principle. (SPH)

  13. Kinetics of hydrogen desorption from MgH2 and AlH3 hydrides (United States)

    Terent'ev, P. B.; Gerasimov, E. G.; Mushnikov, N. V.; Uimin, M. A.; Maikov, V. V.; Gaviko, V. S.; Golovatenko, V. D.


    Kinetic parameters of the process of thermal decomposition of the MgH2 hydride (obtained by the method of the mechanoactivation of magnesium in a hydrogen atmosphere) and of the commercial AlH3 hydride have been studied upon the rapid heating in the range of temperatures of 150-510°C at hydrogen pressures of 0-2 atm. The time dependences of the amount of hydrogen released by the metal hydrides at different temperatures and pressures have been determined. It has been shown that the activation energies of the hydrogen desorption are 135 kJ/mol for MgH2 and 107 kJ/mol for AlH3. The maximum rates of hydrogen desorption from the investigated metal hydrides have been established, and the temperatures and initial pressures that ensure the maximum rate and maximum volume of the hydrogen release have been determined.

  14. Colonic transit time in patient with slow-transit constipation: Comparison of radiopaque markers and barium suspension method

    Energy Technology Data Exchange (ETDEWEB)

    Xu Huimin [Department of General Surgery, Beijing Chaoyang Hospital, Capital Medical University, No. 8 Gongtina Lu, Chaoyang District, Beijing 100020 (China); Department of General Surgery, Weifang People' s Hospital, ShanDong Province 261041 (China); Han Jiagang [Department of General Surgery, Beijing Chaoyang Hospital, Capital Medical University, No. 8 Gongtina Lu, Chaoyang District, Beijing 100020 (China); Na Ying [Department of Medical Imaging, Weifang People' s Hospital, ShanDong Province 261041 (China); Zhao Bo; Ma Huachong [Department of General Surgery, Beijing Chaoyang Hospital, Capital Medical University, No. 8 Gongtina Lu, Chaoyang District, Beijing 100020 (China); Wang Zhenjun, E-mail: [Department of General Surgery, Beijing Chaoyang Hospital, Capital Medical University, No. 8 Gongtina Lu, Chaoyang District, Beijing 100020 (China)


    Background: Colonic transit study provides valuable information before surgical treatment is considered for patient with constipation. The radiopaque markers method is the most common way for evaluating colon transit time. The aim of this study is to compare the barium suspension with the radiopaque makers to assess the colonic mobility in patient with constipation. Methods: Colonic transit time was measured in 11 female patients with slow-transit constipation using both radiopaque markers and barium suspension method. In radiopaque markers method, the patient ingested 20 markers on the first day, and an abdominal radiograph was performed every 24 h until 80% markers were excreted. In barium suspension method, the patient swallowed up to 50 ml of 200% (w/v) barium meal. The abdominal radiographs were taken at the same time point as the former. Results: The total or segmental colonic transit time were obviously prolonged in all patients. Segmental transits time spent in the right colon, left colon and rectosigmoid for radiopaque markers and barium suspension method was, respectively, 30 {+-} 6 h and 34 {+-} 7 h; 38 {+-} 9 h and 32 {+-} 6 h; 40 {+-} 8 h and 38 {+-} 10 h. In the radiopaque markers method, total colonic transit time was 108 {+-} 14 h and it was 103 {+-} 13 h in the barium suspension method (P > 0.05). Conclusion: The barium suspension and radiopaque markers gave the similar results for colonic transit time. The barium suspension was a simple and cheap method for evaluating the colonic mobility.

  15. Demonstrating the potential of yttrium-doped barium zirconate electrolyte for high-performance fuel cells (United States)

    Bae, Kiho; Jang, Dong Young; Choi, Hyung Jong; Kim, Donghwan; Hong, Jongsup; Kim, Byung-Kook; Lee, Jong-Ho; Son, Ji-Won; Shim, Joon Hyung


    In reducing the high operating temperatures (>=800 °C) of solid-oxide fuel cells, use of protonic ceramics as an alternative electrolyte material is attractive due to their high conductivity and low activation energy in a low-temperature regime (fuel cells. However, poor sinterability of yttrium-doped barium zirconate discourages its fabrication as a thin-film electrolyte and integration on porous anode supports, both of which are essential to achieve high performance. Here we fabricate a protonic-ceramic fuel cell using a thin-film-deposited yttrium-doped barium zirconate electrolyte with no impeding grain boundaries owing to the columnar structure tightly integrated with nanogranular cathode and nanoporous anode supports, which to the best of our knowledge exhibits a record high-power output of up to an order of magnitude higher than those of other reported barium zirconate-based fuel cells.

  16. Improved thermal stability and wettability behavior of thermoplastic polyurethane / barium metaborate composites

    Energy Technology Data Exchange (ETDEWEB)

    Baştürka, Emre; Madakbaş, Seyfullah; Kahraman, Memet Vezir, E-mail: [Department of Chemistry, Marmara University, Istanbul (Turkey)


    In this paper, it was targeted to the enhance thermal stability and wettability behavior of thermoplastic polyurethane (TPU) by adding barium metaborate. TPU-Barium metaborate composites were prepared by adding various proportions of barium metaborate to TPU. The chemical structures of the composites were characterised by fourier transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD) analysis. All prepared composites have extremely high Tg and thermal stability as determined from DSC and TGA analysis. All composite materials have the Tg ranging from 15 to 35 °C. The surface morphologies of the composites were investigated by a scanning electron microscopy. Mechanical properties of the samples were characterized with stress-strain test. Hydrophobicity of the samples was determined by the contact angle measurements. The obtained results proved that thermal, hydrophobic and mechanical properties were improved. (author)

  17. Determination of barium in bottled drinking water by graphite furnace atomic absorption spectrometry

    Energy Technology Data Exchange (ETDEWEB)

    Fagioli, F.; Locatelli, C.; Lanciotti, E.; Vallone, G.; Mazzotta, D.; Mugelli, A.


    In relation to the wide environmental spread of barium and to its cardiovascular effects, barium levels were determined by graphite furnace atomic absorption spectrometry in 60 different brands of bottled water marketed in Italy. Matrix interferences were investigated in order to evaluate the use of an analytical calibration function rather than the much more time consuming addition technique. The barium content ranged from limit of detection C/sub L/ (7.0 up to 660, the median value being 80, while the recovery tests varied between 90 and 110% and the precision of the method (s/sub yx/) was 2.5%.

  18. Direct hydride derivatization of methyl- and ethylmercury chlorides in aqueous solution with KBH4

    Institute of Scientific and Technical Information of China (English)


    A convenient hydride derivatization procedure of methyl-and ethylmercury chlorides to volatile hydrides was reported. In sealed vials methylmercury and ethylmercury compounds in acidic aqueous solutions were converted into their volatile forms by the reaction with potassium tetrahydroborate(KBH4) and elvolved to the headspace of the vials. The gaseous analytes in the headspace were extracted and concentrated by solid phase microextraction(SPME) and injected into gas chromatography (GC) for separation and identified by mass selective detector(MS).

  19. Individual-specific transgenerational marking of fish populations based on a barium dual-isotope procedure. (United States)

    Huelga-Suarez, Gonzalo; Moldovan, Mariella; Garcia-Valiente, America; Garcia-Vazquez, Eva; Alonso, J Ignacio Garcia


    The present study focuses on the development and evaluation of an individual-specific transgenerational marking procedure using two enriched barium isotopes, (135)Ba and (137)Ba, mixed at a given and selectable molar ratio. The method is based on the deconvolution of the isotope patterns found in the sample into four molar contribution factors: natural xenon (Xe nat), natural barium (Ba nat), Ba135, and Ba137. The ratio of molar contributions between Ba137 and Ba135 is constant and independent of the contribution of natural barium in the sample. This procedure was tested in brown trout ( Salmo trutta ) kept in captivity. Trout were injected with three different Ba137/Ba135 isotopic signatures ca. 7 months and 7 days before spawning to compare the efficiency of the marking procedure at long and short term, respectively. The barium isotopic profiles were measured in the offspring by means of inductively coupled plasma mass spectrometry. Each of the three different isotopic signatures was unequivocally identified in the offspring in both whole eggs and larvae. For 9 month old offspring, the characteristic barium isotope signatures could also be detected in the otoliths even in the presence of a high and variable amount of barium of natural isotope abundance. In conclusion, it can be stated that the proposed dual-isotope marking is inheritable and can be detected after both long-term and short-term marking. Furthermore, the dual-isotope marking can be made individual-specific, so that it allows identification of offspring from a single individual or a group of individuals within a given fish group.

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

    Energy Technology Data Exchange (ETDEWEB)

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


    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.

  1. Fracture mechanism of TiAl intermetallics caused by hydride and atomic hydrogen

    Institute of Scientific and Technical Information of China (English)

    高克玮; 王燕斌; 林志; 乔利杰; 褚武扬


    Hydrogen embrittlement (HE) of TiAl intermetallics was studied at room temperature. The results showed that there were two forms of HE in TiAl intermetallics, i.e. hydride HE and atomic HE. Most of hydrogen in TiAl intermetallics was transformed into hydrides at room temperature. The hydride exists as (TiAl)Hx for a low hydrogen concentration while it exists in several forms for a higher hydrogen concentration. Stress intensity factor KIC decreased with increase in hydride concentration. KIC decreased further when TiAl intermetallics were charged cathodically with hydrogen in 1 mol/L H2SO4 solution. Stress intensity factor during hydrogen charging KIH was about 50% KIC. 20% of the decrease was caused by hydrides while 30% was caused by atomic hydrogen. Mechanism of HE caused hydrides was the same as any other second phase in nature. Delayed fracture caused by atomic hydrogen resulted from hydrogen induced local plastic deformation.

  2. On the chemistry of hydrides of N atoms and O$^+$ ions

    CERN Document Server

    Awad, Zainab; Williams, David A


    Previous work by various authors has suggested that the detection by Herschel/HIFI of nitrogen hydrides along the low density lines of sight towards 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 H$_2$ 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 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.

  3. Brønsted-Lowry Acid Strength of Metal Hydride and Dihydrogen Complexes. (United States)

    Morris, Robert H


    Transition metal hydride complexes are usually amphoteric, not only acting as hydride donors, but also as Brønsted-Lowry acids. A simple additive ligand acidity constant equation (LAC for short) allows the estimation of the acid dissociation constant Ka(LAC) of diamagnetic transition metal hydride and dihydrogen complexes. It is remarkably successful in systematizing diverse reports of over 450 reactions of acids with metal complexes and bases with metal hydrides and dihydrogen complexes, including catalytic cycles where these reactions are proposed or observed. There are links between pKa(LAC) and pKa(THF), pKa(DCM), pKa(MeCN) for neutral and cationic acids. For the groups from chromium to nickel, tables are provided that order the acidity of metal hydride and dihydrogen complexes from most acidic (pKa(LAC) -18) to least acidic (pKa(LAC) 50). Figures are constructed showing metal acids above the solvent pKa scales and organic acids below to summarize a large amount of information. Acid-base features are analyzed for catalysts from chromium to gold for ionic hydrogenations, bifunctional catalysts for hydrogen oxidation and evolution electrocatalysis, H/D exchange, olefin hydrogenation and isomerization, hydrogenation of ketones, aldehydes, imines, and carbon dioxide, hydrogenases and their model complexes, and palladium catalysts with hydride intermediates.

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

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


    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.

  5. Investigation of Lithium Metal Hydride Materials for Mitigation of Deep Space Radiation (United States)

    Rojdev, Kristina; Atwell, William


    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.

  6. Influence of lanthanon hydride catalysts on hydrogen storage properties of sodium alanates

    Institute of Scientific and Technical Information of China (English)

    WU Zhe; CHEN Lixin; XIAO Xuezhang; FAN Xiulin; LI Shouquan; WANG Qidong


    NaAlH4 complex hydrides doped with lanthanon hydrides were prepared by hydrogenation of the ball-milled NaH/Al+xmol.% RE-H composites (RE=La,Ce; x=2,4,6) using NaHl and A1 powder as raw materials.The influence of lanthanon hydride catalysts on the hydriding and dehydriding behaviors of the as-synthesized composites were investigated.It was found that the composite doped with 2 mol.% La.H3.01 displayed the highest hydrogen absorption capacity of 4.78 wt.% and desorption capacity of 4.66wt.%,respectively.Moreover,the composite doped with 6 mol% CeH2.51 showed the best hydriding/dehydriding reaction kinetics.The proposed catalytic mechanism for reversible hydrogen storage properties of the composite was attributed to the presence of active LaH3.01 and CeH2.51 particles,which were scattering on the surface of NaH and A1 particles,acting as the catalytic active sites for hydrogen diffusion and playing an important catalytic role in the improved hydriding/dehydriding reaction.

  7. Chemical composition of nanomodified composite binder with nano- and microsized barium silicate

    Directory of Open Access Journals (Sweden)

    KOROLEV Evgenij Valerjevich


    Full Text Available There are several possibilities to improve cement-based binders. In particular, many properties of cement stone can be enhanced by means of micro- and nanoscale modification. In a number of previous works we had shown that application of barium hydrosilicates leads to such improvement. The present article is devoted to the investigation of the chemical composition of the cement stone which is modified by means of addition of barium hydrosilicates. The modification was performed on different scales: micro- and nanoscale; the results of simultaneous multi-scale modification are also presented. The examination was carried out with help of different modern research techniques – FT IR spectroscopy, differential thermal analysis and X-ray phase analysis. Identification of the new phases and comparative quantitative assessment of their content are performed. It is found that the use of nano- and micro-sized barium hydrosilicates as additives leads to reduction of portlandite by 27...28%; by means of multi-scale modification it is possible to reduce the content of portlandite much more (by 83.3%. Due to addition of nano- and micro-sized barium-based modifiers both the amount of calcium hydrosilicates in reaction products is enlarged, and structure of the mentioned hydrosilicates is changed (the formation of a fine-grained structure of hydration products takes place. Micro-sized barium hydrosilicates are chemically active additives and promote the formation of an additional quantity of calcium hydrosilicates of type CSH (I. The use of nanoscale barium hydrosilicates promotes the formation of CSH (I and CSH (II calcium hydrosilicates, and also both riversidite and xonotlite. As a result of simultaneous application of nano- and micro-sized barium hydrosilicates the content of CSH (II increases. This can be confirmed by means of differential thermal and X-ray analysis. The amount of CSH (I, riversidite and various tobermorites is also increases. It is

  8. Synthesis, characterization and thermostability of barium β-diketonate with tetraethylenepentamine ligand

    Institute of Scientific and Technical Information of China (English)


    The metal-organic chemical vapor deposition (MOCVD) technique is a promising process for high-temperature superconductor YBa2Cu3O7-δ(YBCO) preparation. In this technique, it is a challenge to obtain barium precursors with high volatility. In addition, the purity, evaporation characteristics and thermostability of adopted precursors in the whole process would decide the quality and reproducible results of YBCO film. In the present report, the barium precursor containing 2,2,6,6-tetramethylheptane-3,5-dionate...

  9. Study of the microstructural transformations of borate glass and barium metaborate crystals induced by femtosecond laser

    Institute of Scientific and Technical Information of China (English)

    Chen Bin; Yu Bing-Kun; Yan Xiao-Na; Qiu Jian-Rong; Jiang Xiong-Wei; Zhu Cong-Shan


    This paper describes the microstructural transformations of borate glass and barium metaborate crystals induced by femtosecond laser. Such structural transformations were verified by Raman spectroscopy. The borate glass is transformed into low temperature (LT) phase of barium metaborate (BaB2O4) crystals after being irradiated for 10 min by a femtosecond laser. In addition, after 20 min of irradiation, high temperature (HT) phase of BaB2O4 crystals is also produced. Further studies demonstrate that LT phase BaB2O4 crystals are formed in the HT phase BaB2O4 crystals after femtosecond laser irradiation for 10 s.

  10. Temperature-Dependent Raman Spectra and Microstructure of Barium Metaborate Crystals and Its Melts

    Institute of Scientific and Technical Information of China (English)

    尤静林; 蒋国昌; 侯怀宇; 吴永全; 陈辉; 徐匡迪


    We have measured the Raman spectra of β- and α-barium metaborate in crystal and liquid states from room temperature to 1873K, with a semiconductor laser as the laser source, coupled with a time-resolved detection system to eliminate the dense thermal emission background when temperature was considerably high.Temperature-dependent Raman spectra can clearly indicate that the phase transformation from β- to α-barium metaborate has been completed during 1273 - 1300 K. Variations of different kinds of microstructure units with temperature are identified and discussed.

  11. Dielectric properties of piezoelectric 3–0 composites of lithium ferrite/barium titanate

    Indian Academy of Sciences (India)

    P Sarah; S V Suryanarayana


    Piezoelectric 3–0 composite ceramics are prepared from a mixture of barium titanate and lithium ferrite phase constituents. Dielectric properties of composites are affected by a number of parameters that include electrical properties, size, shape and amount of constituent phases. The frequency dependent measurements can provide additional insight into mechanisms controlling electrical response. Frequency dependence of dielectric constant plots of lithium ferrite/barium titanate composites will be given and the relevance of trends seen in them will be discussed. Connectivity in composites developed is studied.

  12. Physical states and properties of barium titanate films in a plane electric field (United States)

    Shirokov, V. B.; Kalinchuk, V. V.; Shakhovoi, R. A.; Yuzyuk, Yu. I.


    The influence of a plane electric field on the phase states of barium titanate thin films under the conditions of forced deformation has been studied. The field dependence of a complete set of material constants has been taken in the region of the c-phase, where polarization losses are absent. The material constants are calculated using equations of the piezoelectric effect derived by linearizing the nonlinear equations of state from the phenomenological; theory for barium titanate. It has been shown that there is a critical value of the field at which the electromechanical coupling coefficient reaches a maximum.

  13. Synthesis and characterization of nickel oxide doped barium strontium titanate ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Banerjee, M. [Dept. of Electrical Engineering, Bengal Institute of Technology Kolkata (India); Mukherjee, S. [Dept. of Metallurgical Engineering, Jadavpur University, Kolkata (India); Maitra, S. [Govt. College of Engg. and Ceramic Technology, Kolkata (India)


    Barium strontium titanate (BST) ceramics (Ba{sub 0.6}Sr{sub 0.4})TiO{sub 3} were synthesized by solid state sintering using barium carbonate, strontium carbonate and rutile as the precursor materials. The samples were doped with nickel oxide in different proportions. Different phases present in the sintered samples were determined from X-ray diffraction investigation and the distribution of different phases in the microstructure was assessed from scanning electron microscopy study. It was observed that the dielectric properties of BST were modified significantly with nickel oxide doping. These ceramics held promise for applications in tuned circuits. (author)

  14. CT-Guided Percutaneous Transthoracic Localization of Pulmonary Nodules Prior to Video-Assisted Thoracoscopic Surgery Using Barium Suspension

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Nyoung Keun; Park, Chang Min; Kang, Chang Hyun; Jeon, Yoon Kyung; Choo, Ji Yung; Lee, Hyun Ju; Goo, Jin Mo [Seoul National University College of Medicine, Seoul (Korea, Republic of)


    To describe our initial experience with CT-guided percutaneous barium marking for the localization of small pulmonary nodules prior to video-assisted thoracoscopic surgery (VATS). From October 2010 to April 2011, 10 consecutive patients (4 men and 6 women; mean age, 60 years) underwent CT-guided percutaneous barium marking for the localization of 10 small pulmonary nodules (mean size, 7.6 mm; range, 3-14 mm): 6 pure ground-glass nodules, 3 part-solid nodules, and 1 solid nodule. A 140% barium sulfate suspension (mean amount, 0.2 mL; range, 0.15-0.25 mL) was injected around the nodules with a 21-gauge needle. The technical details, surgical findings and pathologic features associated with barium localizations were evaluated. All nodules were marked within 3 mm (mean distance, 1.1 mm; range, 0-3 mm) from the barium ball (mean diameter, 9.6 mm; range, 8-16 mm) formed by the injected barium suspension. Pneumothorax occurred in two cases, for which one needed aspiration. However, there were no other complications. All barium balls were palpable during VATS and visible on intraoperative fluoroscopy, and were completely resected. Both the whitish barium balls and target nodules were identifiable in the frozen specimens. Pathology revealed one invasive adenocarcinoma, five adenocarcinoma-in-situ, two atypical adenomatous hyperplasias, and two benign lesions. In all cases, there were acute inflammations around the barium balls which did not hamper the histological diagnosis of the nodules. CT-guided percutaneous barium marking can be an effective, convenient and safe pre-operative localization procedure prior to VATS, enabling accurate resection and diagnosis of small or faint pulmonary nodules.

  15. A DFT based investigation into the electronic structure and properties of hydride rich rhodium clusters. (United States)

    Brayshaw, Simon K; Green, Jennifer C; Hazari, Nilay; Weller, Andrew S


    Density functional theory has been used to investigate the structures, bonding and properties of a family of hydride rich late transition metal clusters of the type [Rh(6)(PH(3))(6)H(12)](x) (x = 0, +1, +2, +3 or +4), [Rh(6)(PH(3))(6)H(16)](x) (x = +1 or +2) and [Rh(6)(PH(3))(6)H(14)](x) (x = 0, +1 or +2). The positions of the hydrogen atoms around the pseudo-octahedral Rh(6) core in the optimized structures of [Rh(6)(PH(3))(6)H(12)](x) (x = 0, +1, +2, +3 or +4) varied depending on the overall charge on the cluster. The number of semi-bridging hydrides increased (semi-bridging hydrides have two different Rh-H bond distances) as the charge on the cluster increased and simultaneously the number of perfectly bridging hydrides (equidistant between two Rh centers) decreased. This distortion maximized the bonding between the hydrides and the metal centers and resulted in the stabilization of orbitals related to the 2T(2g) set in a perfectly octahedral cluster. In contrast, the optimized structures of the 16-hydride clusters [Rh(6)(PH(3))(6)H(12)](x) (x = +1 or +2) were similar and both clusters contained an interstitial hydride, along with one terminal hydride, ten bridging hydrides and two coordinated H(2) molecules which were bound to two rhodium centers in an eta(2):eta(1)-fashion. All the hydrides were on the outside of the Rh(6) core in the lowest energy structures of the 14-hydride clusters [Rh(6)(PH(3))(6)H(14)] and [Rh(6)(PH(3))(6)H(14)](+), which both contained eleven bridging hydrides, one terminal hydride and one coordinated H(2) molecule. Unfortunately, the precise structure of [Rh(6)(PH(3))(6)H(14)](2+) could not be determined as structures both with and without an interstitial hydride were of similar energy. The reaction energetics for the uptake and release of two molecule of H(2) by a cycle consisting of [Rh(6)(PH(3))(6)H(12)](2+), [Rh(6)(PH(3))(6)H(16)](2+), [Rh(6)(PH(3))(6)H(14)](+), [Rh(6)(PH(3))(6)H(12)](+) and [Rh(6)(PH(3))(6)H(14)](2+) were modelled

  16. Design and Fabricate a Metallic Hydride Heat Pump with a Cooling Capacity of 9000 BTU/H (United States)


    I ERGENICS, INC. N 681 Lawl Ins Road Wyckoff. NJ 07481 DESIGN AND FABRICATE A METALLIC HYDRIDE HEAT PUMP WITH A COOLING CAPACITY OF 9000 BTU/H...air conditioning unit employing a metal hydride heat pump and a silicone heat transfer fluid. The contract was subsequently modified on 29 September 3...for thermally driven ECE systems. Metal hydride heat pumps were proposed as for this application.. However, only laboratory bench experiments have

  17. Development of Novel Metal Hydride-Carbon Nanomaterial Based Nanocomposites as Anode Electrode Materials for Lithium Ion Battery (United States)


    Final Progress Report (27-02-2012 To 26-02-2014) Project Title:- Development of novel metal hydride -carbon nanomaterial based nanocomposites as...anode electrode materials for Lithium ion battery Objectives:- The aim of this study is to develop metal hydride –carbon nanomaterial as follows:- Milestone I • Synthesis of nanosized metal hydrides (NMH)-carbon nanotubes (CNT) hybridizing with G (NMH- CNT-G) nanocomposites

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

    Energy Technology Data Exchange (ETDEWEB)

    Auer, Henry; Guehne, Robin; Bertmer, Marko; Weber, Sebastian; Wenderoth, Patrick; Hansen, Thomas Christian; Haase, Jürgen; Kohlmann, Holger


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

  19. Regeneration of barium carbonate from barium sulphide in a pilot-scale bubbling column reactor and utilization for acid mine drainage. (United States)

    Mulopo, J; Zvimba, J N; Swanepoel, H; Bologo, L T; Maree, J


    Batch regeneration of barium carbonate (BaCO(3)) from barium sulphide (BaS) slurries by passing CO(2) gas into a pilot-scale bubbling column reactor under ambient conditions was used to assess the technical feasibility of BaCO(3) recovery in the Alkali Barium Calcium (ABC) desalination process and its use for sulphate removal from high sulphate Acid Mine Drainage (AMD). The effect of key process parameters, such as BaS slurry concentration and CO(2) flow rate on the carbonation, as well as the extent of sulphate removal from AMD using the recovered BaCO(3) were investigated. It was observed that the carbonation reaction rate for BaCO(3) regeneration in a bubbling column reactor significantly increased with increase in carbon dioxide (CO(2)) flow rate whereas the BaS slurry content within the range 5-10% slurry content did not significantly affect the carbonation rate. The CO(2) flow rate also had an impact on the BaCO(3) morphology. The BaCO(3) recovered from the pilot-scale bubbling column reactor demonstrated effective sulphate removal ability during AMD treatment compared with commercial BaCO(3).

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

    Directory of Open Access Journals (Sweden)

    Luc Aymard


    Full Text Available 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 (2, 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 address these drawbacks. The development of high-capacity hydride anodes should be inspired by the emergent

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

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


    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 (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 address these drawbacks. The development of high-capacity hydride anodes should be inspired by the emergent nano-research prospects which

  2. Complex Hydride Compounds with Enhanced Hydrogen Storage Capacity

    Energy Technology Data Exchange (ETDEWEB)

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


    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

  3. Development of delayed hydride cracking resistant-pressure tube

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Young Suk; Kwon, Sang Chul; Kim, S. S.; Yim, K. S


    For the first time, we demonstrate that the pattern of nucleation and growth of a DHC crack is governed by the precipitation of hydrides so that the DHC velocity and K{sub IH} are determined by an angle of the cracking plane and the hydride habit plane 10.7. Since texture controls the distribution of the 10.7 habit plane in Zr-2.5Nb pressure tube, we draw a conclusion that a textural change in Zr-2.5Nb tube from a strong tangential texture to the radial texture shall increase the threshold stress intensity factor, K{sub IH}, and decrease the delayed hydride cracking velocity. This conclusion is also verified by a complimentary experiment showing a linear dependence of DHCV and K{sub IH} with an increase in the basal component in the cracking plane. On the basis of the study on the DHC mechanism and the effect of manufacturing processes on the properties of Zr-2.5Nb tube, we have established a manufacturing procedure to make pressure tubes with improved DHC resistance. The main features of the established manufacturing process consist in the two step-cold pilgering process and the intermediate heat treatment in the {alpha} + {beta} phase for Zr-2.5Nb alloy and in the {alpha} phase for Zr-1Nb-1.2Sn-0.4Fe alloy. The manufacturing of DHC resistant-pressure tubes of Zr-2.5Nb and Zr-1N-1.2Sn-0.4Fe was made in the ChMP zirconium plant in Russia under a joint research with Drs. Nikulina and Markelov in VNIINM (Russia). Zr-2.5Nb pressure tube made with the established manufacturing process has met all the specification requirements put by KAERI. Chracterization tests have been jointly conducted by VNIINM and KAERI. As expected, the Zr-2.5Nb tube made with the established procedure has improved DHC resistance compared to that of CANDU Zr-2.5Nb pressure tube used currently. The measured DHC velocity of the Zr-2.5Nb tube meets the target value (DHCV <5x10{sup -8} m/s) and its other properties also were equivalent to those of the CANDU Zr-2.5Nb tube used currently. The Zr-1Nb-1

  4. Influence of hydrides orientation on strain, damage and failure of hydrided zircaloy-4; Influence de l'orientation des hydrures sur les modes de deformation, d'endommagement et de rupture du zircaloy-4 hydrure

    Energy Technology Data Exchange (ETDEWEB)

    Racine, A


    In pressurized water reactors of nuclear power plants, fuel pellets are contained in cladding tubes, made of Zirconium alloy, for instance Zircaloy-4. During their life in the primary water of the reactor (155 bars, 300 C), cladding tubes are oxidized and consequently hydrided. A part of the hydrogen given off precipitates as Zirconium hydrides in the bulk material and embrittles the material. This embrittlement depends on many parameters, among which hydrogen content and orientation of hydrides with respect to the applied stress. This investigation is devoted to the influence of the orientation of hydrides with respect to the applied stress on strain, damage and failure mechanisms. Macroscopic and SEM in-situ ring tensile tests are performed on cladding tube material (unirradiated cold worked stress-relieved Zircaloy-4) hydrided with about 200 and 500 wppm hydrogen, and with different main hydrides orientation: either parallel or perpendicular to the circumferential tensile direction. We get the mechanical response of the material as a function of hydride orientation and hydrogen content and we investigate the deformation, damage and failure mechanisms. In both cases, digital image correlation techniques are used to estimate local and global strain distributions. Neither the tensile stress-strain response nor the global and local strain modes are significantly affected by hydrogen content or hydride orientation, but the failure modes are strongly modified. Indeed, only 200 wppm radial hydrides embrittle Zy-4: sample fail in the elastic domain at about 350 MPa before strain bands could develop; whereas in other cases sample reach at least 750 MPa before necking and final failure, in ductile or brittle mode. To model this particular heterogeneous material behavior, a non-coupled damage approach which takes into account the anisotropic distribution of the hydrides is proposed. Its parameters are identified from the macroscopic strain field measurements and a

  5. A surface-chemistry study of barium ferrite nanoplates with DBSa-modified surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Lisjak, Darja, E-mail: [Jožef Stefan Institute, Ljubljana (Slovenia); Ovtar, Simona; Kovač, Janez [Jožef Stefan Institute, Ljubljana (Slovenia); Gregoratti, Luca; Aleman, Belen; Amati, Matteo [Elettra – Sincrotrone Trieste S.C.p.A. di interesse nazionale, Trieste (Italy); Fanetti, Mattia [University of Nova Gorica, Nova Gorica (Slovenia); Istituto Officina dei Materiali CNR, Area Science Park, Trieste (Italy); Makovec, Darko [Jožef Stefan Institute, Ljubljana (Slovenia)


    Barium ferrite (BaFe{sub 12}O{sub 19}) is a ferrimagnetic oxide with a high magnetocrystalline anisotropy that can be exploited in magnetically aligned ceramics or films for self-biased magnetic applications. Magnetic alignment of the films can be achieved by the directed assembly of barium ferrite nanoplates. In this investigation the nanoplates were synthesized hydrothermally and suspended in 1-butanol using dodecylbenzene sulphonic acid (DBSa) as a surfactant. They were then deposited in an electric or magnetic field on flat substrates and exhibited a significant preferential alignment in the plane of the substrate, allowing a differentiation between the analysis of their basal and side planes using scanning photoelectron microscopy with a lateral resolution down to 100 nm. The surface chemistry of the nanoplates was additionally studied with X-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectrometry. For a comparison, bare barium ferrite nanoplates were also analyzed after decomposing the DBSa at 460 °C. The deviation of the surface chemistry from the stoichiometric composition was observed and the adsorption of the DBSa molecules on the nanoplates was confirmed with all three methods. Different types of bonding (physi- or chemisorption) were possible and considered with respect to the assembly of the barium ferrite nanoplates into anisotropic magnetic films.

  6. X-Ray Fluorescence Analysis for Barium, Zinc, Calcium and Phosphorus in Oil Additives. (United States)


    HOAlD-I’ 908 XRAY FLUORESCENCE ANALYSIS FOR BARIUM ZINC CALCIUM AND i/i PHOSPHORUS IN OIL HDDITIVES(U MATERIALS RESEARCH LABS ASCOT VALE ( technique was used by McGinness, Scott and Mortensen [101 for the quantitative x-ray emission analysis of paints . The paint films, "one-half mil

  7. Inconceivable Hypokalemia: A Case Report of Acute Severe Barium Chloride Poisoning

    Directory of Open Access Journals (Sweden)

    Haibo Tao


    Full Text Available Barium is a heavy divalent alkaline earth metal that has been known as a muscle poison. Barium can cause human toxicity, which may lead to significant hypokalemia and have serious consequences. This paper reports a case of unprecedented barium intoxication in which the patient, who suffered from depression, swallowed at least 3.0 g barium chloride to commit suicide. On admission, the patient presented with nausea, vomiting, stomach burning feeling, dizziness, and weakness. Emergency biochemical testing showed that the patient was suffering from severe hypokalemia (K+ 1.7 mmol/L. His electrocardiogram (ECG prompted atrioventricular blocking, ventricular tachycardia, prolongation of PR interval, ST segment depression with U waves, and T wave inversion. Intravenous potassium supplements were given immediately to correct hypokalemia and regular monitoring of vital signs and fluid balance was arranged. After all-out rescue of our hospital personnel, the condition of the patient is currently stable and he is gradually recovering. This case exemplifies the weaknesses of the management of toxic substances and the lack of mental health education for young people. We hope to get more attention for the supervision of toxic substances and the healthy development of young people.

  8. Demonstrating the potential of yttrium-doped barium zirconate electrolyte for high-performance fuel cells. (United States)

    Bae, Kiho; Jang, Dong Young; Choi, Hyung Jong; Kim, Donghwan; Hong, Jongsup; Kim, Byung-Kook; Lee, Jong-Ho; Son, Ji-Won; Shim, Joon Hyung


    In reducing the high operating temperatures (≥800 °C) of solid-oxide fuel cells, use of protonic ceramics as an alternative electrolyte material is attractive due to their high conductivity and low activation energy in a low-temperature regime (≤600 °C). Among many protonic ceramics, yttrium-doped barium zirconate has attracted attention due to its excellent chemical stability, which is the main issue in protonic-ceramic fuel cells. However, poor sinterability of yttrium-doped barium zirconate discourages its fabrication as a thin-film electrolyte and integration on porous anode supports, both of which are essential to achieve high performance. Here we fabricate a protonic-ceramic fuel cell using a thin-film-deposited yttrium-doped barium zirconate electrolyte with no impeding grain boundaries owing to the columnar structure tightly integrated with nanogranular cathode and nanoporous anode supports, which to the best of our knowledge exhibits a record high-power output of up to an order of magnitude higher than those of other reported barium zirconate-based fuel cells.

  9. Settling barium fluxes in the Arabian Sea: Critical evaluation of relationship with export production

    Digital Repository Service at National Institute of Oceanography (India)

    Nair, T.M.B.; Ittekkot, V.; Shankar, R.; Guptha, M.V.S.

    discrepancy is documented between the export flux calculated from the barium-based algorithm and from C sub(org) fluxes at different depths. However, approx. 35% increase in Ba fluxes and a concomitant increase in Ba/C sub(org) ratios are documented between...

  10. Spectroscopic (multi-energy) CT distinguishes iodine and barium contrast material in MICE

    CERN Document Server

    Anderson, NG; Firsching, M; de Ruiter, N; Schleich, N; Butzer, J S; Cook, N J; Grasset, R; Campbell, M; Scott, N J A; Anderson, N G


    Spectral CT differs from dual-energy CT by using a conventional X-ray tube and a photon-counting detector. We wished to produce 3D spectroscopic images of mice that distinguished calcium, iodine and barium. We developed a desktop spectral CT, dubbed MARS, based around the Medipix2 photon-counting energy-discriminating detector. The single conventional X-ray tube operated at constant voltage (75 kVp) and constant current (150 A mu A). We anaesthetised with ketamine six black mice (C57BL/6). We introduced iodinated contrast material and barium sulphate into the vascular system, alimentary tract and respiratory tract as we euthanised them. The mice were preserved in resin and imaged at four detector energy levels from 12 keV to 42 keV to include the K-edges of iodine (33.0 keV) and barium (37.4 keV). Principal component analysis was applied to reconstructed images to identify components with independent energy response, then displayed in 2D and 3D. Iodinated and barium contrast material was spectrally distinct f...

  11. Study of structural, ferromagnetic and ferroelectric properties of nanostructured barium doped Bismuth Ferrite

    Energy Technology Data Exchange (ETDEWEB)

    Chaudhuri, A., E-mail: [Department of Applied Science, Haldia Institute of Technology, Dist.- Purba Medinipur, Haldia- 721657, West Bengal (India); Department of Condensed Matter Physics and Material Science, S.N. Bose National Center for Basic Sciences, Block JD, Salt Lake, Kolkata 700098 (India); Mandal, K. [Department of Applied Science, Haldia Institute of Technology, Dist.- Purba Medinipur, Haldia- 721657, West Bengal (India); Department of Condensed Matter Physics and Material Science, S.N. Bose National Center for Basic Sciences, Block JD, Salt Lake, Kolkata 700098 (India)


    Nanostructured multiferroic Bi{sub (1−x)}Ba{sub x}FeO{sub 3}x=0.0, 0.1, 0.2 were prepared by hydrothermal technique. All samples belonged to the rhombohedrally distorted perovskite structure. The morphology of the particles changed with the doping of barium. Effect of barium doping on the dielectric constant was studied over a wide frequency range of 1000 Hz–1 MHz. The activation energy due to relaxation and due to conduction was measured from the Cole Cole plot and the AC conductivity versus frequency plot respectively. The activation energy estimated from both the studies was close to each other. The activation energy also enhanced with the increase in the barium content. The magnetization at the highest available field (∼1.6 T) increased from 0.05 emu/g for the sample with x=0.0–12 emu/g for the sample with x=0.2. The magnetic measurements show a significant increase in magnetization around 400 °C. Remnant polarization for x=0.0 was negligible and it increased to 0.06 µC/cm{sup 2} for x=0.2. - Highlights: • Bismuth Ferrite nanostructures were synthesized by the hydrothermal technique. • Barium was doped in Bismuth site. • Morphology changed with doping. • Ferromagnetic, Ferroelectric and Dielectric properties enhanced with doping. • An unreported magnetic transition due to spin canting was observed near 550 °C.

  12. Electromechanical Response of Polycrystalline Barium Titanate Resolved at the Grain Scale

    DEFF Research Database (Denmark)

    Majkut, Marta; Daniels, John E.; Wright, Jonathan P.


    critical for understanding bulk polycrystalline ferroic behavior. Here, three-dimensional X-ray diffraction is used to reconstruct a 3D grain map (grain orientations and neighborhoods) of a polycrystalline barium titanate sample and track the grain-scale non-180° ferroelectric domain switching strains...

  13. Diffuse X-ray scattering and far infrared absorption of barium and lead β" aluminas

    DEFF Research Database (Denmark)

    Hayes, W.; Kjær, Kristian; Pratt, F. L.;


    The authors have carried out high-momentum-resolution studies in diffuse X-ray scattering of barium and lead B" aluminas in the temperature range 20-700 degrees C. They have also measured the vibrational spectra of these compounds between 2K and 300K in the energy range 10-100 cm-1. The results a...

  14. Possible discovery of the r-process characteristics in the abundances of metal-rich barium stars

    CERN Document Server

    Cui, W Y; Shi, J R; Zhao, G; Wang, W J; Niu, P


    We study the abundance distributions of a sample of metal-rich barium stars provided by Pereira et al. (2011) to investigate the s- and r-process nucleosynthesis in the metal-rich environment. We compared the theoretical results predicted by a parametric model with the observed abundances of the metal-rich barium stars. We found that six barium stars have a significant r-process characteristic, and we divided the barium stars into two groups: the r-rich barium stars ($C_r>5.0$, [La/Nd]\\,$<0$) and normal barium stars. The behavior of the r-rich barium stars seems more like that of the metal-poor r-rich and CEMP-r/s stars. We suggest that the most possible formation mechanism for these stars is the s-process pollution, although their abundance patterns can be fitted very well when the pre-enrichment hypothesis is included. The fact that we can not explain them well using the s-process nucleosynthesis alone may be due to our incomplete knowledge on the production of Nd, Eu, and other relevant elements by the ...

  15. Proton and hydride affinities in excited states: magnitude reversals in proton and hydride affinities between the lowest singlet and triplet states of annulenyl and benzannulenyl anions and cations

    DEFF Research Database (Denmark)

    Rosenberg, Martin; Ottosson, Henrik; Kilså, Kristine


    Aromaticity has importance for proton and hydride affinities in the singlet ground state (S(0)) of annulenyl anions and cations so that, e.g., cyclopentadiene is an acidic hydrocarbon. For the lowest pipi* excited triplet state (T(1)), Baird's rule concludes that annulenes with 4n pi-electrons ar......Aromaticity has importance for proton and hydride affinities in the singlet ground state (S(0)) of annulenyl anions and cations so that, e.g., cyclopentadiene is an acidic hydrocarbon. For the lowest pipi* excited triplet state (T(1)), Baird's rule concludes that annulenes with 4n pi......-electrons are aromatic and those with 4n+2 pi-electrons are antiaromatic, opposite to Huckel's rule for aromaticity in S(0). Our hypothesis is now that the relative magnitudes of proton and hydride affinities of annulenyl anions and cations reverts systematically as one goes from S(0) to T(1) as a result of the opposite...... electron counting rules for aromaticity in the two states. Using quantum chemical calculations at the G3(MP2)//(U)B3LYP/6-311+G(d,p) level we have examined the validity of this hypothesis for eight proton and eight hydride addition reactions of anions and cations, respectively, of annulenyl...

  16. Granulomatous colitis: findings on double contrast barium enema and follow-up studies

    Energy Technology Data Exchange (ETDEWEB)

    Song, Jong Gi; Han, Joon Koo; Kim, Seung Hoon; Choo, Sung Wook; Kim, Seung Cheol; Choi, Byung Ihn [Seoul National University College of Medicine, Seoul (Korea, Republic of)


    To evaluate the radiologic findings of granulomatous colitis on double contrast barium enema and changes on follow-up studies. Serial double contrast barium enema of six patients with granulomatous colitis confirmed by endoscopic biopsy were reviewed. We analyzed the radiologic findings and their follow-up changes, including aphthous ulcers, lymphoid hyperplasia, deep ulcers, cobble stone appearance, geographic ulcers, asymmetric involvement of ulcers, skip lesions, sinus tract, fistula formation, pseudosacculation, focal stricture, and small bowel involvement. Pretreatment double contrast barium enema findings were aphthous ulcers in five patients, deep ulcer in six, cobble stone appearance in five, longitudinal geographic ulcers in two, fistulas in one, pseudosacculations in two, focal stricture in one, and pseudopolyps in six. Also, anal ulcers were observed in two patients, asymmetric involvement of ulcers in three, skip lesions in four, and small bowel involvement in five in five patients proved to have inactive disease after treatment, aphthous ulcers and deep ulcers disappeared. Geographic ulcers of two patients and anal ulcer of one patients decreased in size or depth. Pseudosacculation in one patient disappeared. Pseudopolyps decreased in two patients, increased in one, and decreased after increase in two. One patient whose disease remained active after treatment showed maintenance or increase of ulcers or fistula. And their pseudosacculation or focal stricture unchanged and pseudopolyps decreased. The major radiologic findings of chronic granulomatous colitis on double contrast barium enema are aphthous ulcer, deep ulcer, cobble stone appearance, discontinuity of the lesion and coexistence of ulcers and pseudopolyps. And, double contrast barium enema is good follow-up modality because its findings correlate with clinical course of the granulomatous colitis after treatment.

  17. Influence of barium substitution on bioactivity, thermal and physico-mechanical properties of bioactive glass

    Energy Technology Data Exchange (ETDEWEB)

    Arepalli, Sampath Kumar, E-mail:; Tripathi, Himanshu; Vyas, Vikash Kumar; Jain, Shubham; Suman, Shyam Kumar; Pyare, Ram; Singh, S.P., E-mail:


    Barium with low concentration in the glasses acts as a muscle stimulant and is found in human teeth. We have made a primary study by substituting barium in the bioactive glass. The chemical composition containing (46.1 − X) SiO{sub 2−}–24.3 Na{sub 2}O–26.9 CaO–2.6 P{sub 2}O{sub 5}, where X = 0, 0.4, 0.8, 1.2 and 1.6 mol% of BaO was chosen and melted in an electric furnace at 1400 ± 5 °C. The glasses were characterized to determine their use in biomedical applications. The nucleation and crystallization regimes were determined by DTA and the controlled crystallization was carried out by suitable heat treatment. The crystalline phase formed was identified by using XRD technique. Bioactivity of these glasses was assessed by immersion in simulated body fluid (SBF) for various time periods. The formation of hydroxy carbonate apatite (HCA) layer was identified by FTIR spectrometry, scanning electron microscope (SEM) and XRD which showed the presence of HCA as the main phase in all tested bioactive glass samples. Flexural strength and densities of bioactive glasses have been measured and found to increase with increasing the barium content. The human blood compatibility of the samples was evaluated and found to be pertinent. - Highlights: • In vitro bioactivity of soda-lime–baria-phospho-silicate glass was investigated. • HCA formed on surface of glasses was confirmed by XRD, SEM and FTIR spectrometry. • Mechanical properties of glasses were found to increase with barium addition. • Hemolysis showed that 1.2 mol% BaO bioactive glass exhibited better biocompatibility. • Barium substituted bioactive glasses can be used as bone implants.

  18. Scanning electron microscopic and electrophoretic observations on barium sulphate used to absorb clotting factors. (United States)

    Howell, R M; Deacon, S L


    Electron microscopy and particle electrophoresis were found to be complementary techniques with which to complete the physical data from an earlier study on barium sulphates used to absorb clotting factors from serum. The differences revealed by scanning electron microscopy (S. E. M) in the physical shape of low and high density grades of barium sulphate particles appear to be of greater significance than charge as expressed by electrophoretic mobility, in determining whether or not precursor or performed factor Xa is eluted. This conclusion was based on the finding that at pH values close to 7, where the adsorption from serum occurs, all samples with the exception of natural barytes were uncharged. However as the high-density, or soil-grade, was found by S. E. M. to consist of large solid crystals it was suggested that this shape might induce activiation of factor X as a result of partial denaturation and consequent unfolding of the adsorbed protein. In contrast, uptake of protein into the centre of the porous aggregates revealed by S. E. M. pictures of low-density or X-ray grade barium sulphate may afford protection against denaturation and exposure of the enzyme site. The porous nature of particles of low-density barium sulphate compared with the solid crystalline forms of other grades accounts not only for its lower bulk density but also for its greater surface/gram ratio which is reflected by an ability to adsorb more protein from serum. Neither technique produced evidence from any of the samples to indicate the presence of stabilising agents sometimes used to coat particles in barium meals.


    Institute of Scientific and Technical Information of China (English)

    张克立; 袁继兵; 袁良杰; 孙聚堂


    Barium benzoate was synthesized in semi-solid phase reaction. The complex was characterized by elemental analysis, IR, X-ray powder diffraction. It is layered structure, monoclinic system. The mechanism of thermal decomposition for barium benzoate was studied by using TG, DTA, IR and gas chromatography-mass spectrometer. The thermal decompositon of barium benzoate in nitrogen proceeded in one stage: it decomposed to form BaCO3 and organic compounds. The organic compounds obtained from decomposition reaction are mainly benzophenone, triphenylmethane and so on.

  20. Obtaining of barium sulfate from solution formed after desulfation of the active mass of scrap lead-acid batteries

    Directory of Open Access Journals (Sweden)

    O. A. Kalko


    Full Text Available Analyses of literature data about processes for solution utilization formed after desulfation of the active mass of scrap lead-acid batteries is performed. Optimal conditions for obtaining of barium sulfate sediment from ammonium sulfate solute and chemically pure Ba(OH2×8H2O и BaCl2×2H2O were found experimentally. In laboratory the commercial barium sulfate from sulfate solutions, that are waste of recycling process of battery scrap, with application of chloride and barium hydroxide was production. The possibility of using this product were discussed.

  1. Improved hydrogen desorption from lithium hydrazide by alkali metal hydride

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, Liang, E-mail: [Institute for Advanced Materials Research, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima 739-8530 (Japan); Miyaoka, Hiroki [Institute for Sustainable Sciences and Development, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima 739-8530 (Japan); Ichikawa, Takayuki; Kojima, Yoshitsugu [Institute for Advanced Materials Research, Hiroshima University, 1-3-1 Kagamiyama, Higashi-Hiroshima 739-8530 (Japan)


    Highlights: •LiH can dramatically improve the hydrogen desorption properties of LiNHNH{sub 2}. •KH doping had positive effect in promoting the hydrogen desorption properties of LiNHNH{sub 2}–LiH mixture. •The reaction mechanism between LiNHNH{sub 2} and LiH was studied and discussed. -- Abstract: Lithium hydrazide (LiNHNH{sub 2}), which is a white solid with 8.0 mass% of theoretical hydrogen content, was synthesized from a reaction between anhydrous hydrazine and n-butyllithium in diethyl ether. The thermodynamic properties of this compound and its detailed decomposition pathways had been investigated in our previous work. However, a number of undesired gaseous products such as hydrazine (N{sub 2}H{sub 4}) and ammonia (NH{sub 3}) were generated during the thermal decomposition of LiNHNH{sub 2}. In this work, alkali metal hydride was used to suppress the impurities in the desorbed hydrogen and improved the hydrogen desorption properties. The reaction mechanism between LiNHNH{sub 2} and LiH was also studied and discussed in this paper.

  2. On the thermodynamics of phase transitions in metal hydrides (United States)

    Vita, Andrea


    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.

  3. Superhalogens as Building Blocks of Complex Hydrides for Hydrogen Storage

    CERN Document Server

    Srivastava, Ambrish Kumar


    Superhalogens are species whose electron affinity (EA) or vertical detachment energy (VDE) exceed to those of halogen. These species typically consist of a central electropositive atom with electronegative ligands. The EA or VDE of species can be further increased by using superhalogen as ligands, which are termed as hyperhalogen. Having established BH4- as a superhalogen, we have studied BH4-x(BH4)x- (x = 1 to 4) hyperhalogen anions and their Li-complexes, LiBH4-x(BH4)x using density functional theory. The VDE of these anions is larger than that of BH4-, which increases with the increase in the number of peripheral BH4 moieties (x). The hydrogen storage capacity of LiBH4-x(BH4)x complexes is higher but binding energy is smaller than that of LiBH4, a typical complex hydride. The linear correlation between dehydrogenation energy of LiBH4-x(BH4)x complexes and VDE of BH4-x(BH4)x- anions is established. These complexes are found to be thermodynamically stable against dissociation into LiBH4 and borane. This stud...

  4. Synthesis and Hydrogen Desorption Properties of Aluminum Hydrides. (United States)

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


    Aluminum hydride (AlH3 or alane) is known to store maximum 10.1 wt.% of hydrogen at relatively low temperature (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.

  5. Unloading Effect on Delayed Hydride Cracking in Zirconium Alloys

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Young Suk; Kim, Sung Soo [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)


    It is well-known that a tensile overload retards not only the crack growth rate (CGR) in zirconium alloys during the delayed hydride cracking (DHC) tests but also the fatigue crack growth rate in metals, the cause of which is unclear to date. A considerable decrease in the fatigue crack growth rate due to overload is suggested to occur due either to the crack closure or to compressive stresses or strains arising from unloading of the overload. However, the role of the crack closure or the compressive stress in the crack growth rate remains yet to be understood because of incomplete understanding of crack growth kinetics. The aim of this study is to resolve the effect of unloading on the CGR of zirconium alloys, which comes in last among the unresolved issues as listed above. To this end, the CGRs of the Zr-2.5Nb tubes were determined at a constant temperature under the cyclic load with the load ratio, R changing from 0.13 to 0.66 where the extent of unloading became higher at the lower R. More direct evidence for the effect of unloading after an overload is provided using Simpson's experiment investigating the effect on the CGR of a Zr-2.5Nb tube of the stress states of the prefatigue crack tip by unloading or annealing after the formation of a pre-fatigue crack

  6. Improved Electrochemical Performance of Surface-Modified Metal Hydride Electrodes

    Institute of Scientific and Technical Information of China (English)

    YANG Kai; WU Feng; CHEN Shi; ZHANG Cun-zhong


    A novel plating process was applied to the surface modification of the metal hydride (MH) electrode of the MH/Ni batteries. The electrode was plated with a thin nickel film about 0.1 μm thick by using multi-arc ion plating technique. The X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and scanning electron microscope (SEM) were used to analyze the electrodes. Influence of the surface modification on the performance of the MH/Ni batteries was studied. It is shown that the surface modification could enhance the electrode conductivity and decrease the batteries ohimic resistance by 28.2 %. After surface modification, the discharge capacity of modification also improves the cyclic durability of the batteries. The inner pressure of the batteries with modified electrode during overcharging is much lower than that with unmodified electrode. The experimental results demonstrate that this process is an effective way for the surface modification of the electrode of MH/Ni batteries.

  7. Microscopy Techniques for Analysis of Nickel Metal Hydride Batteries Constituents. (United States)

    Carpenter, Graham J C; Wronski, Zbigniew


    With the need for improvements in the performance of rechargeable batteries has come the necessity to better characterize cell electrodes and their component materials. Electron microscopy has been shown to reveal many important features of microstructure that are becoming increasingly important for understanding the behavior of the components during the many charge/discharge cycles required in modern applications. The aim of this paper is to present an overview of how the full suite of techniques available using transmission electron microscopy (TEM) and scanning transmission electron microscopy was applied to the case of materials for the positive electrode in nickel metal hydride rechargeable battery electrodes. Embedding and sectioning of battery-grade powders with an ultramicrotome was used to produce specimens that could be readily characterized by TEM. Complete electrodes were embedded after drying, and also after dehydration from the original wet state, for examination by optical microscopy and using focused ion beam techniques. Results of these studies are summarized to illustrate the significance of the microstructural information obtained.

  8. Development of nickel-metal hydride cell: An update (United States)

    Kuwajima, S.; Kusawake, Hiroaki; Nakatani, Kensuke; Yano, Y.


    This paper presents in viewgraph format an overview of NASDA's evaluation of commercial nickel metal-hydride (Ni-MH) cells and the development and testing of Ni-MH cells for use in space. The commercial cells are concluded to be feasible and suitable for use in LEO; for GEO, the durability for overcharge is needed because long-term charge retention is required. For the aerospace Ni-MH cell design, two activation procedures are applied to evaluate the effect of the difference in the amount of overcharge protection and precharge. Specific energy of the Ni-MH cell is nearly accomplished at 50 Wh/kg. Initial characteristics indicate the effect derived from precharge. Thirty-five amp-hour class Ni-MH cells have good performance for LEO cycle of 25 and 40 percent DOD up to 3000 cycles as similar to commercial cells. The effect of the difference in the amount of overcharge protection will appear in life test.

  9. Properties of Zr-Ti-V-Mn-Ni hydride alloy

    Institute of Scientific and Technical Information of China (English)

    文明芬; 翟玉春; 王新海; 陈廉


    Six kinds of Zr-based hydride alloy were designed. XRD analyses show that the main phase of Zr1-xTix-(NiCoMnV)2.1 alloy is Laves C15 when x is between 0 and 0.5,but the more the content of Ti, the more the Laves C14 phases. The amount of Laves C14 can be up to the amount of Laves C15 after substituted V and Fe by V-Fe alloy in Zr0.6-Ti0.4(NiCoMnVFeCr)1.7 alloy. The electrochemical measurements show that the discharge capacity of Zr0.9Ti0.1-(NiCoMnV)2.1 electrode is about 340mA * h/g at 60mA/g, but with increasing the amount of Ti, the discharge capacity of alloy electrode abruptly decreases; at 300mA/g current density, its Kr can be up to 91%. The discharge capacity of Zr0.6-Ti0.4-(NiCoMn(V-Fe)Cr)1.62 alloy electrode is about 200mA * h/g at first cycle, the maximum capacity is more than that of the electrode with pure V, and about 315mA * h/g.

  10. Hydrogen and Dihydrogen Bonds in the Reactions of Metal Hydrides. (United States)

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


    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.

  11. Atomistic simulation of hydrogen dynamics near dislocations in vanadium hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Ogawa, Hiroshi, E-mail:


    Highlights: • Hydrogen–dislocation interaction was simulated by molecular dynamics method. • Different distribution of H atoms were observed at edge and screw dislocation. • Planner distribution of hydrogen may be caused by partialized edge dislocation. • Hydrogen diffusivity was reduced in both edge and screw dislocation models. • Pipe diffusion was observed for edge dislocation but not for screw dislocation. - Abstract: Kinetics of interstitial hydrogen atoms near dislocation cores were analyzed by atomistic simulation. Classical molecular dynamics method was applied to model structures of edge and screw dislocations in α-phase vanadium hydride. Simulation showed that hydrogen atoms aggregate near dislocation cores. The spatial distribution of hydrogen has a planner shape at edge dislocation due to dislocation partialization, and a cylindrical shape at screw dislocation. Simulated self-diffusion coefficients of hydrogen atoms in dislocation models were a half- to one-order lower than that of dislocation-free model. Arrhenius plot of self-diffusivity showed slightly different activation energies for edge and screw dislocations. Directional dependency of hydrogen diffusion near dislocation showed high and low diffusivity along edge and screw dislocation lines, respectively, hence so called ‘pipe diffusion’ possibly occur at edge dislocation but does not at screw dislocation.

  12. Metal hydrides form halogen bonds: measurement of energetics of binding. (United States)

    Smith, Dan A; Brammer, Lee; Hunter, Christopher A; Perutz, Robin N


    The formation of halogen bonds from iodopentafluorobenzene and 1-iodoperfluorohexane to a series of bis(η(5)-cyclopentadienyl)metal hydrides (Cp2TaH3, 1; Cp2MH2, M = Mo, 2, M = W, 3; Cp2ReH, 4; Cp2Ta(H)CO, 5; Cp = η(5)-cyclopentadienyl) is demonstrated by (1)H 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.

  13. Fluorine substituent effects on dihydrogen bonding of transition metal hydrides. (United States)

    Jacobsen, Heiko


    Hydrogen and dihydrogen bonding of the fluorinated alcohol (CF(3))(2)CHOH with the transition metal complex WH(CO)(2)(NO)(PMe(3))(2) has been explored by a set of four exemplary density functional theory methods that comprises the BP86, PBE, B3LYP and TPSS functionals. The hydride, nitrosyl and carbonyl ligands of the tungsten complex have been considered as sites of protonation. The main effect of fluorination is an increased dihydrogen bond strength by about 15 kJ mol(-1). The [see equation in text] dihydrogen bond is about 10 kJ mol(-1) stronger than the [W]-NOH-OR hydrogen bond. Of the four DFT methods investigated, the BP86 functional provides the most satisfying quantitative as well as qualitative agreement with experiment. The geometry of the [see equation in text] linkage is significantly influenced by secondary dispersive intermolecular bonding. Linear and bent dihydrogen bonds are separated in energy only by about 1 kJ mol(-1), and represent local minima on the corresponding energy hypersurface.

  14. Obtention of the constitutive equation of hydride blisters in fuel cladding from nanoindentation tests (United States)

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


    It is well known that the presence of hydrides in nuclear fuel cladding may reduce its mechanical and fracture properties. This situation may be worsened as a consequence of the formation of hydride blisters. These blisters are zones with an extremely high hydrogen concentration and they are usually associated to the oxide spalling which may occur at the outer surface of the cladding. In this work, a method which allows us to reproduce, in a reliable way, hydride blisters in the laboratory has been devised. Depth-sensing indentation tests with a spherical indenter were conducted on a hydride blister produced in the laboratory with the aim of measuring its mechanical behaviour. The plastic stress-strain curve of the hydride blister was calculated for first time by combining depth-sensing indentation tests results with an iterative algorithm using finite element simulations. The algorithm employed reduces, in each iteration, the differences between the numerical and the experimental results by modifying the stress-strain curve. In this way, an almost perfect adjustment of the experimental data was achieved after several iterations. The calculation of the constitutive equation of the blister from nanoindentation tests, may involve a lack of uniqueness. To evaluate it, a method based on the optimization of parameters of analytical equations has been proposed in this paper. An estimation of the error which involves this method is also provided.

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

    Energy Technology Data Exchange (ETDEWEB)

    Breault, R.W.; Rolfe, J.; McClaine, A. [Thermo Power Corp., Waltham, MA (United States)


    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.

  16. Another Look at the Mechanisms of Hydride Transfer Enzymes from Quantum and Classical Transition Path Sampling (United States)

    Dzierlenga, Michael; Antoniou, Dimitri; Schwartz, Steven


    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.

  17. Kinetic behaviour of low-Co AB{sub 5}-type metal hydride electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Tliha, M., E-mail: [Laboratoire de Mecanique, Materiaux et Procedes, ESSTT, 5 Avenue Taha Hussein, 1008 Tunis (Tunisia); Boussami, S.; Mathlouthi, H.; Lamloumi, J. [Laboratoire de Mecanique, Materiaux et Procedes, ESSTT, 5 Avenue Taha Hussein, 1008 Tunis (Tunisia); Percheron-Guegan, A. [Laboratoire de Chimie Metallurgique des Terres Rares, GLVT, 2-8 Rue Henri Dunant 94320, Thiais Cedex (France)


    The kinetic behaviour of the LaNi{sub 3.55}Mn{sub 0.4}Al{sub 0.3}Co{sub 0.4}Fe{sub 0.35} metal hydride, used as a negative electrode in the nickel/metal hydride (Ni/MH) batteries, was investigated using electrochemical impedance spectroscopy (EIS) at different state of charge (SOC). Impedance measurements were performed in the frequency range from 50 kHz to 1 mHz. Electrochemical impedance spectrum of the metal hydride electrode was interpreted by an equivalent circuit including the different electrochemical processes taking place on the interface between the MH electrode and the electrolyte. Electrochemical kinetic parameters such as the charge-transfer resistance R{sub tc}, the exchange current density I{sub 0} and the hydrogen diffusion coefficient D{sub H} were determined at different state of charge. The results of EIS measurements indicate that the electrochemical reaction activity of the LaNi{sub 3.55}Mn{sub 0.4}Al{sub 0.3}Co{sub 0.4}Fe{sub 0.35} metal hydride electrode was markedly improved with increasing state of charge (SOC). The transformation {alpha}-{beta} is probably a limiting step in the mechanisms of hydrogenation of metal hydride electrode.

  18. Formation and characterization of hydride blisters in Zircaloy-4 cladding tubes

    Energy Technology Data Exchange (ETDEWEB)

    Hellouin de Menibus, Arthur, E-mail: [French Atomic Energy Comission - CEA Saclay/DEN/DANS/DMN/SRMA, 91191 Gif-sur-Yvette (France); Mines ParisTech/Centre des matériaux, CNRS UMR 7633, 91003 Evry (France); Auzoux, Quentin; Dieye, Ousmane [French Atomic Energy Comission - CEA Saclay/DEN/DANS/DMN/SEMI, 91191 Gif-sur-Yvette (France); Berger, Pascal [French Atomic Energy Comission - CEA Saclay/DSM/IRAMIS/SIS2M, 91191 Gif-sur-Yvette (France); CNRS UMR 3299, CEA-Saclay, 91191 Gif-sur-Yvette (France); Bosonnet, Sophie [French Atomic Energy Comission - CEA Saclay/DEN/DANS/DMN/SRMA, 91191 Gif-sur-Yvette (France); Foy, Eddy [French Atomic Energy Comission - CEA Saclay/DSM/IRAMIS/SIS2M, 91191 Gif-sur-Yvette (France); CNRS UMR 3299, CEA-Saclay, 91191 Gif-sur-Yvette (France); Macdonald, Vincent [French Atomic Energy Comission - CEA Saclay/DEN/DANS/DMN/SEMI, 91191 Gif-sur-Yvette (France); Besson, Jacques; Crépin, Jerome [Mines ParisTech/Centre des matériaux, CNRS UMR 7633, 91003 Evry (France)


    This article is focused on the formation of hydride blisters in zirconium alloys an experimental and theoretical standpoint, and their characterization in terms of morphology, hydrides crystallographic phases, hardness and hydrogen concentration. An experimental setup was developed to grow hydride blisters on pre-hydrided Zircaloy-4 cladding tubes by thermo-diffusion. The thermal conditions were optimized based on thermo-diffusion calculations, that take into account the hysteresis in the hydrogen solubility limit, to obtain a high blister growth rate. Micro-X-ray Diffraction (XRD), nano-hardness and Elastic Recoil Detection Analysis (ERDA) showed that the blisters contain a hydrogen gradient, with pure δ-hydride phase close to the external surface over one third of the blister depth. Thermo-diffusion calculations showed these half thickness blisters should grow in only a few days in PWR conditions. Eventually, the Diffusion Equilibrium Threshold (DET) was defined as a criterion that limits the blister growth, and emphasizes that the hysteresis in the hydrogen solubility limit in zirconium must be taken into account to model hydrogen thermo-diffusion in zirconium alloys.

  19. Surface hydride on titanium by cathodic polarization promotes human gingival fibroblast growth. (United States)

    Xing, Rui; Salou, Laëtitia; Taxt-Lamolle, Sébastien; Reseland, Janne E; Lyngstadaas, Ståle P; Haugen, Håvard J


    Connective tissue seal to dental abutment is crucial for peri-implant health. Several efforts have been made previously to optimize abutment surfaces, but no consensus has been reached regarding the optimal surface architecture and/or composition for soft tissue seal. Here, we report on experiments using cathodic polarization in organic acids to optimize titanium (Ti) surfaces for use as abutments. The three main factors affecting surface topography and chemistry were electrolyte composition, current density, and polarization time. Under identical conditions, oxalic acid created rougher surfaces than tartaric acid and acetic acid, and acetic acid produced more surface hydride. Surface hydride amount was suggested to first increase and then decrease with current density from 1 mA/cm(2) to 15 mA/cm(2) . The complexity of the surface topography and hydride production both increased with polarization time. Proliferation rate of human gingival fibroblasts (HGFs) was positively correlated with surface hydride content, suggesting the positive effect of surface hydride on connective tissue growth around dental abutment. Changes in surface topography and hydrophilicity did not significantly influence HGF growth.

  20. Crack growth in the through-thickness direction of hydrided thin-wall Zircaloy sheet (United States)

    Raynaud, Patrick A.; Koss, Donald A.; Motta, Arthur T.


    In a reactivity-initiated accident, cladding failure may occur by crack initiation within a defect such as a hydride rim or blister and subsequent crack propagation through the thickness of the thin-wall cladding. In such a circumstance, determining the cladding resistance to crack propagation in the through-thickness direction is crucial to predicting cladding failure. To address this issue, through-thickness crack propagation in hydrided Zircaloy-4 sheet was analyzed at 25 °C, 300 °C, and 375 °C. At 25 °C, the fracture toughness decreased with increasing hydrogen content and with an increasing fraction of radial hydrides. Hydride particles fractured ahead of the crack tip, creating a path for crack growth. At both 300 °C and 375 °C, the resistance to crack-growth initiation was sufficiently high that crack extension was often caused by crack-tip blunting. There was no evidence of hydride particles fracturing near the crack tip, and no significant effect of hydrogen content on fracture toughness was observed at these elevated temperatures.

  1. Multislice simulations for in-situ HRTEM studies of nanostructured magnesium hydride at ambient hydrogen pressure. (United States)

    Surrey, Alexander; Schultz, Ludwig; Rellinghaus, Bernd


    The use of transmission electron microscopy (TEM) for the structural characterization of many nanostructured hydrides, which are relevant for solid state hydrogen storage, is hindered due to a rapid decomposition of the specimen upon irradiation with the electron beam. Environmental TEM allows to stabilize the hydrides by applying a hydrogen back pressure of up to 4.5 bar in a windowed environmental cell. The feasibility of high-resolution TEM (HRTEM) investigations of light weight metals and metal hydrides in such a "nanoreactor" is studied theoretically by means of multislice HRTEM contrast simulations using Mg and its hydride phase, MgH2, as model system. Such a setup provides the general opportunity to study dehydrogenation and hydrogenation reactions at the nanoscale under technological application conditions. We analyze the dependence of both the spatial resolution and the HRTEM image contrast on parameters such as the defocus, the metal/hydride thickness, and the hydrogen pressure in order to explore the possibilities and limitations of in-situ experiments with windowed environmental cells. Such simulations may be highly valuable to pre-evaluate future experimental studies.

  2. Effects of electron doping on the stability of the metal hydride NaH. (United States)

    Olea-Amezcua, M A; Rivas-Silva, J F; de la Peña-Seaman, O; Heid, R; Bohnen, K P


    Alkali and alkali-earth metal hydrides have high volumetric and gravimetric hydrogen densities, but due to their high thermodynamic stability, they possess high dehydrogenation temperatures which may be reduced by transforming these compounds into less stable states/configurations. We present a systematic computational study of the electron doping effects on the stability of the alkali metal hydride NaH substituted with Mg, using the self-consistent version of the virtual crystal approximation to model the alloy Na1-x Mg x H. The phonon dispersions were studied paying special attention to the crystal stability and the correlations with the electronic structure taking into account the zero point energy contribution. We found that substitution of Na by Mg in the hydride invokes a reduction of the frequencies, leading to dynamical instabilities for Mg content of 25%. The microscopic origin of these instabilities could be related to the formation of ellipsoidal Fermi surfaces centered at the L point due to the metallization of the hydride by the Mg substitution. Applying the quasiharmonic approximation, thermodynamic properties like heat capacities, vibrational entropies and vibrational free energies as a function of temperature at zero pressure are obtained. These properties determine an upper temperature for the thermodynamic stability of the hydride, which decreases from 600 K for NaH to 300 K at 20% Mg concentration. This significant reduction of the stability range indicates that dehydrogenation could be favoured by electron doping of NaH.

  3. Formation and physical properties of uranium hydride under conditions relevant to metallic fuel and nuclear waste storage (United States)

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


    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Van Blarigan, Peter; Shugard, Andrew D.; Walters, R. Tom (Savannah River National Labs, Aiken, SC)


    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.

  5. Measured and calculated fast neutron spectra in a depleted uranium and lithium hydride shielded reactor (United States)

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


    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.

  6. Zirconium hydride precipitation kinetics in Zircaloy-4 observed with synchrotron X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Blackmur, M.S., E-mail: [Materials Performance Centre, School of Materials, The University of Manchester, Manchester M1 7HS (United Kingdom); Robson, J.D.; Preuss, M. [Materials Performance Centre, School of Materials, The University of Manchester, Manchester M1 7HS (United Kingdom); Zanellato, O. [PIMM, Ensam – Cnam – CNRS, 151 Boulevard de l’Hôpital, 75013 Paris (France); Cernik, R.J. [Materials Performance Centre, School of Materials, The University of Manchester, Manchester M1 7HS (United Kingdom); Shi, S.-Q. [Department of Mechanical Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong (China); Ribeiro, F. [Institut de Radioprotection et de Sûreté Nucléaire, CEN Cadarache, 13115 St. Paul Les Durance (France); Andrieux, J. [Beamline ID15, European Synchrotron Radiation Facility, Grenoble (France)


    High-energy synchrotron X-ray diffraction was used to investigate the isothermal precipitation of δ-hydride platelets in Zircaloy-4 at a range of temperatures relevant to reactor conditions, during both normal operation and thermal transients. From an examination of the rate kinetics of the precipitation process, precipitation slows with increasing temperature above 200 °C, due to a reduction in the thermodynamic driving force. A model for nucleation rate as a function of temperature was developed, to interpret the precipitation rates seen experimentally. While the strain energy associated with the misfit between hydrides and the matrix makes a significant contribution to the energy barrier for nucleation, a larger contribution arises from the interfacial energy. Diffusion distance calculations show that hydrogen is highly mobile in the considered thermal range and on the scale of inter-hydride spacing and it is not expected to be significantly rate limiting on the precipitation process that takes place under reactor operating conditions.

  7. Development of Hydrogen Storage Tank Systems Based on Complex Metal Hydrides

    Directory of Open Access Journals (Sweden)

    Morten B. Ley


    Full Text Available This review describes recent research in the development of tank systems based on complex metal hydrides for thermolysis and hydrolysis. Commercial applications using complex metal hydrides are limited, especially for thermolysis-based systems where so far only demonstration projects have been performed. Hydrolysis-based systems find their way in space, naval, military and defense applications due to their compatibility with proton exchange membrane (PEM fuel cells. Tank design, modeling, and development for thermolysis and hydrolysis systems as well as commercial applications of hydrolysis systems are described in more detail in this review. For thermolysis, mostly sodium aluminum hydride containing tanks were developed, and only a few examples with nitrides, ammonia borane and alane. For hydrolysis, sodium borohydride was the preferred material whereas ammonia borane found less popularity. Recycling of the sodium borohydride spent fuel remains an important part for their commercial viability.

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

    Directory of Open Access Journals (Sweden)

    C A Stitt

    Full Text Available 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.

  9. An Investigation on the Persistence of Uranium Hydride during Storage of Simulant Nuclear Waste Packages. (United States)

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


    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.

  10. Properties of hydrogen permeation barrier on the surface of zirconium hydride

    Institute of Scientific and Technical Information of China (English)

    CHEN Weidong; WANG Lijun; HAN Lin; CHEN Song


    A hydrogen permeation barrier was manufactured by the in situ reaction of zirconium hydride with oxygen.A reduction in the hydrogen permeation of the oxide films was detected by measuring the mass difference of the zirconium hydride samples after the dehydrogenation experiment.The reaction of zirconium hydride with oxygen occurs only under the condition that the temperature is higher than 673 K in the oxygen partial pressure of 0.1 MPa.The oxide film is composed of two layers,a permeable oxide layer and a dense oxide layer,and the main phase of the oxide film is ZrO2 with baddeleyite structure.The XPS analysis shows that O-H bonds exist in the oxide film,which are helpful for resisting hydrogen diffusion through the oxide film.

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

    Energy Technology Data Exchange (ETDEWEB)

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


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

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

    Energy Technology Data Exchange (ETDEWEB)

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


    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.

  13. Tailoring Thermodynamics and Kinetics for Hydrogen Storage in Complex Hydrides towards Applications. (United States)

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


    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.

  14. Impedance and self-discharge mechanism studies of nickel metal hydride batteries for energy storage applications (United States)

    Zhu, Wenhua; Zhu, Ying; Tatarchuk, Bruce


    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.

  15. Influence of the crack-tip hydride concentration on the fracture toughness of Zircaloy-4

    Energy Technology Data Exchange (ETDEWEB)

    Bertolino, G. [LMS, CNRS UMR7649, Ecole Polytechnique, 91128 Palaiseau cedex (France)]. E-mail:; Perez Ipina, J. [CONICET (Argentina); Universidad Nacional del Comahue, 8300 Neuquen (Argentina); Meyer, G. [Centro Atomico Bariloche, CNEA, 8400 Bariloche (Argentina); CONICET (Argentina)


    The influence of a hydrogen concentration gradient at the crack-tip and hydride platelet orientation on the fracture toughness, fracture mode and micromechanisms of a Zircaloy-4 commercial alloy was studied. Fracture toughness was measured on CT specimens and the analysis was performed in terms of J-integral resistance curves at temperatures ranging from 293 to 473 K. Fracture toughness results of specimens containing higher hydrides concentration near the crack-tip region, preferentially orientated in the crack plane, were compared to those obtained from specimens with a homogeneous hydrogen distribution and different platelet orientation; specimens were obtained by charging them in loaded and unloaded condition, respectively. Changes on both macroscopic and microscopic fracture behaviour were observed at temperatures ranging from 293 to 343 K, and the results show the relevance of both hydride concentration and platelet orientation. The existence of a ductile-to-brittle transition is discussed at the light of these new results.

  16. Hydride formation thermodynamics and hysteresis in individual Pd nanocrystals with different size and shape. (United States)

    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


    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.

  17. Strain evolution during hydride precipitation in Zircaloy-4 observed with synchrotron X-ray diffraction (United States)

    Blackmur, M. S.; Preuss, M.; Robson, J. D.; Zanellato, O.; Cernik, R. J.; Ribeiro, F.; Andrieux, J.


    Synchrotron X-ray diffraction was used to evaluate strain evolution observed in Zircaloy-4 undergoing hydride precipitation during a range of thermal operations. During continuous heating, a change in the constraining effect of the matrix was observed at a temperature of 280 °C, thought to be the result of matrix dilatation from interstitial hydrogen. A deconvolution of the thermal, chemical and mechanical sources of strain during quench and dwell operations identified a non-negligible mechanical effect in the matrix. During these dwells, slow strain rate relaxation of elastic strains was seen in the matrix and hydride, suggesting that time dependent relaxation of misfit stresses may be possible at reactor relevant temperatures. Notable anisotropy was observed between the rolling and transverse directions, identified as being the likely product of a similar anisotropy in the relaxation of the hydride misfit between the α and α matrix directions, owing to the differing coherency of these two interfaces.

  18. Hydride heat pump. Volume I. Users manual for HYCSOS system design program. [HYCSOS code

    Energy Technology Data Exchange (ETDEWEB)

    Gorman, R.; Moritz, P.


    A method for the design and costing of a metal hydride heat pump for residential use and a computer program, HYCSOS, which automates that method are described. The system analyzed is one in which a metal hydride heat pump can provide space heating and space cooling powered by energy from solar collectors and electric power generated from solar energy. The principles and basic design of the system are presented, and the computer program is described giving detailed design and performance equations used in the program. The operation of the program is explained, and a sample run is presented. This computer program is part of an effort to design, cost, and evaluate a hydride heat pump for residential use. The computer program is written in standard Fortran IV and was run on a CDC Cyber 74 and Cyber 174 computer. A listing of the program is included as an appendix. This report is Volume 1 of a two-volume document.

  19. Dehydrogenation in lithium borohydride/conventional metal hydride composite based on a mutual catalysis

    DEFF Research Database (Denmark)

    Yu, X.B.; Shi, Qing; Vegge, Tejs;


    The dehydrogenation of LiBH4 ball-milled with hydrogenated 40Ti–15Mn–15Cr–30V alloy was investigated. It was found that there is a mutual catalysis between the two hydrides, lowering the temperature of hydrogen release from both hydrides. In the case of 1h milled LiBH4/40Ti–15Mn–15Cr–30V...... with a mass ratio of 1:4, the peak temperatures of 40Ti–15Mn–15Cr–30V and LiBH4 were decreased to 195 and 390°C, respectively, which are 77 and 50°C lower than the respective hydride on its own....

  20. (abstract) Studies on AB(sub 5) Metal Hydride Alloys with Sn Additives (United States)

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


    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.