WorldWideScience

Sample records for boron hydrides

  1. Boron Hydrides

    Science.gov (United States)

    1946-07-01

    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

  2. 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.

    2014-01-01

    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

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

    OpenAIRE

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

    2016-01-01

    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...

  4. Pressure-induced transformations of molecular boron hydride

    CERN Document Server

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

    2002-01-01

    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.

  5. Aluminum-titanium hydride-boron carbide composite provides lightweight neutron shield material

    Science.gov (United States)

    Poindexter, A. M.

    1967-01-01

    Inexpensive lightweight neutron shield material has high strength and ductility and withstands high internal heat generation rates without excessive thermal stress. This composite material combines structural and thermal properties of aluminum, neutron moderating properties of titanium hydride, and neutron absorbing characteristics of boron carbide.

  6. Boron-nitrogen based hydrides and reactive composites for hydrogen storage

    DEFF Research Database (Denmark)

    Jepsen, Lars H.; Ley, Morten B.; Lee, Young-Su;

    2014-01-01

    Hydrogen forms chemical compounds with most other elements and forms a variety of different chemical bonds. This fascinating chemistry of hydrogen has continuously provided new materials and composites with new prospects for rational design and the tailoring of properties. This review highlights ...... a range of new boron and nitrogen based hydrides and illustrates how hydrogen release and uptake properties can be improved. © 2014 Elsevier Ltd....

  7. Boron

    Science.gov (United States)

    ... an eye wash. Boron was used as a food preservative between 1870 and 1920, and during World Wars ... chemical symbol), B (symbole chimique), Borate, Borate de Sodium, Borates, Bore, Boric Acid, Boric Anhydride, Boric Tartrate, ...

  8. A New Reducing Regent: Dichloroindium Hydride

    Institute of Scientific and Technical Information of China (English)

    A. BABA; I. SHIBATA; N. HAYASHI

    2005-01-01

    @@ 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.

  9. Structure and bonding of second-row hydrides

    OpenAIRE

    Blinder, S. M.

    2014-01-01

    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.

  10. Advanced Hydride Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Motyka, T.

    1989-01-01

    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.

  11. Advanced Hydride Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Motyka, T.

    1989-12-31

    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.

  12. Synthesis of ruthenium hydride

    Science.gov (United States)

    Kuzovnikov, M. A.; Tkacz, M.

    2016-02-01

    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.

  13. Highly Concentrated Palladium Hydrides/Deuterides; Theory

    Energy Technology Data Exchange (ETDEWEB)

    Papaconstantopoulos, Dimitrios

    2013-11-26

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

  14. Hysteresis in Metal Hydrides.

    Science.gov (United States)

    Flanagan, Ted B., And Others

    1987-01-01

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

  15. Regenerative Hydride Heat Pump

    Science.gov (United States)

    Jones, Jack A.

    1992-01-01

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

  16. Lightweight hydride storage materials

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-09-01

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

  17. Insertion of Group 12-16 Hydrides into NHCs: A Theoretical Investigation.

    Science.gov (United States)

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

    2017-03-06

    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.

  18. Air and metal hydride battery

    Energy Technology Data Exchange (ETDEWEB)

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

    1998-12-31

    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.)

  19. Hydrogen Outgassing from Lithium Hydride

    Energy Technology Data Exchange (ETDEWEB)

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

    2006-04-20

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

  20. Erbium hydride decomposition kinetics.

    Energy Technology Data Exchange (ETDEWEB)

    Ferrizz, Robert Matthew

    2006-11-01

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

  1. 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)

    1996-10-01

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

  2. Metal hydride air conditioner

    Institute of Scientific and Technical Information of China (English)

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

    2005-01-01

    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.

  3. Geoneutrino and Hydridic Earth model

    CERN Document Server

    Bezrukov, Leonid

    2013-01-01

    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.

  4. Crystalline boron nitride aerogels

    Energy Technology Data Exchange (ETDEWEB)

    Zettl, Alexander K.; Rousseas, Michael; Goldstein, Anna P.; Mickelson, William; Worsley, Marcus A.; Woo, Leta

    2017-04-04

    This disclosure provides methods and materials related to boron nitride aerogels. In one aspect, a material comprises an aerogel comprising boron nitride. The boron nitride has an ordered crystalline structure. The ordered crystalline structure may include atomic layers of hexagonal boron nitride lying on top of one another, with atoms contained in a first layer being superimposed on atoms contained in a second layer.

  5. Physics of hydride fueled PWR

    Science.gov (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.

  6. Boron Nitride Nanotubes

    Science.gov (United States)

    Smith, Michael W. (Inventor); Jordan, Kevin (Inventor); Park, Cheol (Inventor)

    2012-01-01

    Boron nitride nanotubes are prepared by a process which includes: (a) creating a source of boron vapor; (b) mixing the boron vapor with nitrogen gas so that a mixture of boron vapor and nitrogen gas is present at a nucleation site, which is a surface, the nitrogen gas being provided at a pressure elevated above atmospheric, e.g., from greater than about 2 atmospheres up to about 250 atmospheres; and (c) harvesting boron nitride nanotubes, which are formed at the nucleation site.

  7. Boron nitride composites

    Energy Technology Data Exchange (ETDEWEB)

    Kuntz, Joshua D.; Ellsworth, German F.; Swenson, Fritz J.; Allen, Patrick G.

    2017-02-21

    According to one embodiment, a composite product includes: a matrix material including hexagonal boron nitride and one or more borate binders; and a plurality of cubic boron nitride particles dispersed in the matrix material. According to another embodiment, a composite product includes: a matrix material including hexagonal boron nitride and amorphous boron nitride; and a plurality of cubic boron nitride particles dispersed in the matrix material.

  8. The Oxidation Products of Aluminum Hydride and Boron Aluminum Hydride Clusters

    Science.gov (United States)

    2016-01-04

    diborane, hydrogen, and a white solid. Whatley et al.8 studied the products of diborane oxidation. Roth and co-workers9 found HOBO to be the main...product during the oxidation of diborane. Roth and Bauer10 proposed that the formation of HOBO severely inhibits the oxidation of boranes by breaking...Whatley and R. N . Pease, J. Am. Chem. Soc, 76, 1997 (1954). 9 W. Roth and W. H. Bauer, J. Phys. Chem, 60, 639 (1956). 10 W. Roth , and W. H. Bauer

  9. Hydride Olefin complexes of tantalum and niobium

    NARCIS (Netherlands)

    Klazinga, Aan Hendrik

    1979-01-01

    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

  10. 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

    2016-03-10

    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.

  11. 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: mstislavd@gmail.com [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)

    2015-10-15

    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.

  12. Photochemistry of Transition Metal Hydrides.

    Science.gov (United States)

    Perutz, Robin N; Procacci, Barbara

    2016-08-10

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

  13. Methods of forming boron nitride

    Science.gov (United States)

    Trowbridge, Tammy L; Wertsching, Alan K; Pinhero, Patrick J; Crandall, David L

    2015-03-03

    A method of forming a boron nitride. The method comprises contacting a metal article with a monomeric boron-nitrogen compound and converting the monomeric boron-nitrogen compound to a boron nitride. The boron nitride is formed on the same or a different metal article. The monomeric boron-nitrogen compound is borazine, cycloborazane, trimethylcycloborazane, polyborazylene, B-vinylborazine, poly(B-vinylborazine), or combinations thereof. The monomeric boron-nitrogen compound is polymerized to form the boron nitride by exposure to a temperature greater than approximately 100.degree. C. The boron nitride is amorphous boron nitride, hexagonal boron nitride, rhombohedral boron nitride, turbostratic boron nitride, wurzite boron nitride, combinations thereof, or boron nitride and carbon. A method of conditioning a ballistic weapon and a metal article coated with the monomeric boron-nitrogen compound are also disclosed.

  14. Method of producing a chemical hydride

    Science.gov (United States)

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

    2007-11-13

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

  15. Hydrogen, lithium, and lithium hydride production

    Science.gov (United States)

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

    2014-03-25

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

  16. Boron-Based Hydrogen Storage: Ternary Borides and Beyond

    Energy Technology Data Exchange (ETDEWEB)

    Vajo, John J. [HRL Laboratories, LLC, Malibu, CA (United States)

    2016-04-28

    DOE continues to seek reversible solid-state hydrogen materials with hydrogen densities of ≥11 wt% and ≥80 g/L that can deliver hydrogen and be recharged at moderate temperatures (≤100 °C) and pressures (≤100 bar) enabling incorporation into hydrogen storage systems suitable for transportation applications. Boron-based hydrogen storage materials have the potential to meet the density requirements given boron’s low atomic weight, high chemical valance, and versatile chemistry. However, the rates of hydrogen exchange in boron-based compounds are thus far much too slow for practical applications. Although contributing to the high hydrogen densities, the high valance of boron also leads to slow rates of hydrogen exchange due to extensive boron-boron atom rearrangements during hydrogen cycling. This rearrangement often leads to multiple solid phases occurring over hydrogen release and recharge cycles. These phases must nucleate and react with each other across solid-solid phase boundaries leading to energy barriers that slow the rates of hydrogen exchange. This project sought to overcome the slow rates of hydrogen exchange in boron-based hydrogen storage materials by minimizing the number of solid phases and the boron atom rearrangement over a hydrogen release and recharge cycle. Two novel approaches were explored: 1) developing matched pairs of ternary borides and mixed-metal borohydrides that could exchange hydrogen with only one hydrogenated phase (the mixed-metal borohydride) and only one dehydrogenated phase (the ternary boride); and 2) developing boranes that could release hydrogen by being lithiated using lithium hydride with no boron-boron atom rearrangement.

  17. Application of hafnium hydride control rod to large sodium cooled fast breeder reactor

    Energy Technology Data Exchange (ETDEWEB)

    Ikeda, Kazumi, E-mail: kazumi_ikeda@mfbr.mhi.co.jp [Mitsubishi FBR Systems, Inc., 34-17, Jingumae 2-Chome, Shibuya-ku, Tokyo 150-0001 (Japan); Moriwaki, Hiroyuki, E-mail: hiroyuki_moriwaki@mfbr.mhi.co.jp [Mitsubishi FBR Systems, Inc., 34-17, Jingumae 2-Chome, Shibuya-ku, Tokyo 150-0001 (Japan); Ohkubo, Yoshiyuki, E-mail: yoshiyuki_okubo@mfbr.mhi.co.jp [Mitsubishi FBR Systems, Inc., 34-17, Jingumae 2-Chome, Shibuya-ku, Tokyo 150-0001 (Japan); Iwasaki, Tomohiko, E-mail: tomohiko.iwasaki@qse.tohoku.ac.jp [Department of Quantum Science and Energy Engineering, Tohoku University, Aoba, Aramaki, Aoba-ku, Sendai-shi, Miyagi-ken 980-8579 (Japan); Konashi, Kenji, E-mail: konashi@imr.tohoku.ac.jp [Institute for Materials Research, Tohoku University, Narita-cho, Oarai-machi, Higashi-Ibaraki-gun, Ibaraki-ken 311-1313 (Japan)

    2014-10-15

    Highlights: • Application of hafnium hydride control rod to large sodium cooled fast breeder reactor. • This paper treats application of an innovative hafnium hydride control rod to a large sodium cooled fast breeder reactor. • Hydrogen absorption triples the reactivity worth by neutron spectrum shift at H/Hf ratio of 1.3. • Lifetime of the control rod quadruples because produced daughters of hafnium isotopes are absorbers. • Nuclear and thermal hydraulic characteristics of the reactor are as good as or better than B-10 enriched boron carbide. - Abstract: This study treats the feasibility of long-lived hafnium hydride control rod in a large sodium-cooled fast breeder reactor by nuclear and thermal analyses. According to the nuclear calculations, it is found that hydrogen absorption of hafnium triples the reactivity by the neutron spectrum shift at the H/Hf ratio of 1.3, and a hafnium transmutation mechanism that produced daughters are absorbers quadruples the lifetime due to a low incineration rate of absorbing nuclides under irradiation. That is to say, the control rod can function well for a long time because an irradiation of 2400 EFPD reduces the reactivity by only 4%. The calculation also reveals that the hafnium hydride control rod can apply to the reactor in that nuclear and thermal characteristics become as good as or better than 80% B-10 enriched boron carbide. For example, the maximum linear heat rate becomes 3% lower. Owing to the better power distribution, the required flow rate decreases approximately by 1%. Consequently, it is concluded on desk analyses that the long lived hafnium hydride control rod is feasible in the large sodium-cooled fast breeder reactor.

  18. Characteristics and Applications of Metal Hydrides

    Science.gov (United States)

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

    1987-01-01

    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.

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

    Science.gov (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

  20. Properties of nanoscale metal hydrides.

    Science.gov (United States)

    Fichtner, Maximilian

    2009-05-20

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

  1. Boron nitride converted carbon fiber

    Science.gov (United States)

    Rousseas, Michael; Mickelson, William; Zettl, Alexander K.

    2016-04-05

    This disclosure provides systems, methods, and apparatus related to boron nitride converted carbon fiber. In one aspect, a method may include the operations of providing boron oxide and carbon fiber, heating the boron oxide to melt the boron oxide and heating the carbon fiber, mixing a nitrogen-containing gas with boron oxide vapor from molten boron oxide, and converting at least a portion of the carbon fiber to boron nitride.

  2. Rechargeable metal hydrides for spacecraft application

    Science.gov (United States)

    Perry, J. L.

    1988-01-01

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

  3. Inhibited solid propellant composition containing beryllium hydride

    Science.gov (United States)

    Thompson, W. W. (Inventor)

    1978-01-01

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

  4. Nanostructured, complex hydride systems for hydrogen generation

    Directory of Open Access Journals (Sweden)

    Robert A. Varin

    2015-02-01

    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.

  5. Use of reversible hydrides for hydrogen storage

    Science.gov (United States)

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

    1980-01-01

    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.

  6. Anodematerials for Metal Hydride Batteries

    DEFF Research Database (Denmark)

    Jensen, Jens Oluf

    1997-01-01

    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...

  7. Predicting formation enthalpies of metal hydrides

    DEFF Research Database (Denmark)

    Andreasen, A.

    2004-01-01

    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...

  8. Research on Metal Hydride Compressor System

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    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.

  9. Thermodynamic Hydricity of Transition Metal Hydrides.

    Science.gov (United States)

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

    2016-08-10

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

  10. Coinage Metal Hydrides: Synthesis, Characterization, and Reactivity.

    Science.gov (United States)

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

    2016-08-10

    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.

  11. Crystal structure of gold hydride

    Energy Technology Data Exchange (ETDEWEB)

    Degtyareva, Valentina F., E-mail: degtyar@issp.ac.ru

    2015-10-05

    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.

  12. Boron-Based Hydrogen Storage: Ternary Borides and Beyond

    Energy Technology Data Exchange (ETDEWEB)

    Vajo, John

    2016-09-22

    DOE continues to seek reversible solid-state hydrogen materials with hydrogen densities of ³11 wt% and ³80 g/L that can deliver hydrogen and be recharged at moderate temperatures (£100 °C) and pressures (£100 bar) enabling incorporation into hydrogen storage systems suitable for transportation applications. Boron-based hydrogen storage materials have the potential to meet the density requirements given boron’s low atomic weight, high chemical valance, and versatile chemistry. However, the rates of hydrogen exchange in boron based compounds are thus far much too slow for practical applications. Although contributing to the high hydrogen densities, the high valance of boron also leads to slow rates of hydrogen exchange due to extensive boron-boron atom rearrangements during hydrogen cycling. This rearrangement often leads to multiple solid phases occurring over hydrogen release and recharge cycles. These phases must nucleate and react with each other across solid-solid phase boundaries leading to energy barriers that slow the rates of hydrogen exchange. This project sought to overcome the slow rates of hydrogen exchange in boron-based hydrogen storage materials by minimizing the number of solid phases and the boron atom rearrangement over a hydrogen release and recharge cycle. Two novel approaches were explored: 1) developing matched pairs of ternary borides and mixed-metal borohydrides that could exchange hydrogen with only one hydrogenated phase (the mixed-metal borohydride) and only one dehydrogenated phase (the ternary boride); and 2) developing boranes that could release hydrogen by being lithiated using lithium hydride with no boron-boron atom rearrangement. For the first approach, possible pairs of ternary borides and mixed-metal borohydrides based on Mg with various first row transition metals were investigated both experimentally and theoretically. In particular, the Mg/Mn ternary boride and mixed-metal borohydride were found to be a suitable pair and

  13. Fundamental experiments on hydride reorientation in zircaloy

    Science.gov (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

  14. Metal Hydrides for Rechargeable Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Valoeen, Lars Ole

    2000-03-01

    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

  15. 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)

    2009-07-15

    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.

  16. Boron in sillimanite.

    Science.gov (United States)

    Grew, E S; Hinthorne, J R

    1983-08-05

    Sillimanite in six granulite-facies, kornerupine-bearing rocks contains 0.035 to 0.43 percent B(2)O(3) and 0.02 to 0.23 percent MgO (by weight). Substitution of boron for silicon and magnesium for aluminum is coupled such that the ratio of magnesium to boron is about 0.5. Sillimanite incorporates more than 0.1 percent B(2)O(3) only at high temperatures in a boron-rich environment at very low partial pressures of water. In the amphibolite facies, the sillimanite boron contents are too low to appreciably affect the stability relations of sillimanite with kyanite and andalusite.

  17. Hydrogen-storing hydride complexes

    Science.gov (United States)

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

    2012-04-10

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

  18. Metal Hydrides for Rechargeable Batteries

    Energy Technology Data Exchange (ETDEWEB)

    Valoeen, Lars Ole

    2000-03-01

    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

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

    DEFF Research Database (Denmark)

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

    2010-01-01

    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....

  20. Hydride heat pump with heat regenerator

    Science.gov (United States)

    Jones, Jack A. (Inventor)

    1991-01-01

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

  1. Boron and the kidney.

    Science.gov (United States)

    Pahl, Madeleine V; Culver, B Dwight; Vaziri, Nosratola D

    2005-10-01

    Boron, the fifth element in the periodic table, is ubiquitous in nature. It is present in food and in surface and ocean waters, and is frequently used in industrial, cosmetic, and medical settings. Exposure to boron and related compounds has been recently implicated as a potential cause of chronic kidney disease in Southeast Asia. This observation prompted the present review of the published data on the effects of acute and chronic exposure to boron on renal function and structure in human beings and in experimental animals.

  2. Innovative method for boron extraction from iron ore containing boron

    Science.gov (United States)

    Wang, Guang; Wang, Jing-song; Yu, Xin-yun; Shen, Ying-feng; Zuo, Hai-bin; Xue, Qing-guo

    2016-03-01

    A novel process for boron enrichment and extraction from ludwigite based on iron nugget technology was proposed. The key steps of this novel process, which include boron and iron separation, crystallization of boron-rich slag, and elucidation of the boron extraction behavior of boron-rich slag by acid leaching, were performed at the laboratory. The results indicated that 95.7% of the total boron could be enriched into the slag phase, thereby forming a boron-rich slag during the iron and slag melting separation process. Suanite and kotoite were observed to be the boron-containing crystalline phases, and the boron extraction properties of the boron-rich slag depended on the amounts and grain sizes of these minerals. When the boron-rich slag was slowly cooled to 1100°C, the slag crystallized well and the efficiency of extraction of boron (EEB) of the slag was the highest observed in the present study. The boron extraction property of the slow-cooled boron-rich slag obtained in this study was much better than that of szaibelyite ore under the conditions of 80% of theoretical sulfuric acid amount, leaching time of 30 min, leaching temperature of 40°C, and liquid-to-solid ratio of 8 mL/g.

  3. Method of forming metal hydride films

    Science.gov (United States)

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

    1977-01-01

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

  4. Sealed aerospace metal-hydride batteries

    Science.gov (United States)

    Coates, Dwaine

    1992-01-01

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

  5. Probing the cerium/cerium hydride interface using nanoindentation

    Energy Technology Data Exchange (ETDEWEB)

    Brierley, Martin, E-mail: martin.brierley@awe.co.uk [Atomic Weapons Establishment, Aldermaston, Berkshire RG7 4PR (United Kingdom); University of Manchester, Manchester M13 9PL (United Kingdom); Knowles, John, E-mail: john.knowles@awe.co.uk [Atomic Weapons Establishment, Aldermaston, Berkshire RG7 4PR (United Kingdom)

    2015-10-05

    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.

  6. Boron-Based Drug Design.

    Science.gov (United States)

    Ban, Hyun Seung; Nakamura, Hiroyuki

    2015-06-01

    The use of the element boron, which is not generally observed in a living body, possesses a high potential for the discovery of new biological activity in pharmaceutical drug design. In this account, we describe our recent developments in boron-based drug design, including boronic acid containing protein tyrosine kinase inhibitors, proteasome inhibitors, and tubulin polymerization inhibitors, and ortho-carborane-containing proteasome activators, hypoxia-inducible factor 1 inhibitors, and topoisomerase inhibitors. Furthermore, we applied a closo-dodecaborate as a water-soluble moiety as well as a boron-10 source for the design of boron carriers in boron neutron capture therapy, such as boronated porphyrins and boron lipids for a liposomal boron delivery system.

  7. Boron nitride composites

    Science.gov (United States)

    Kuntz, Joshua D.; Ellsworth, German F.; Swenson, Fritz J.; Allen, Patrick G.

    2016-02-16

    According to one embodiment, a composite product includes hexagonal boron nitride (hBN), and a plurality of cubic boron nitride (cBN) particles, wherein the plurality of cBN particles are dispersed in a matrix of the hBN. According to another embodiment, a composite product includes a plurality of cBN particles, and one or more borate-containing binders.

  8. Feasibility studies of the growth of 3-5 compounds of boron by MOCVD

    Science.gov (United States)

    Manasevit, H. M.

    1988-01-01

    Boron-arsenic and boron-phosphorus films have been grown on Si sapphire and silicon-on-sapphire (SOS) by pyrolyzing Group 3 alkyls of boron, i.e., trimethylborane (TMB) and triethylborane (TEB), in the presence of AsH3 and PH3, respectively, in an H2 atmosphere. No evidence for reaction between the alkyls and the hydrides on mixing at room temperature was found. However, the films were predominantly amorphous. The film growth rate was found to depend on the concentration of alkyl boron compound and was essentially constant when TEB and AsH3 were pyrolyzed over the temperature range 550 C to 900 C. The films were found to contain mainly carbon impurities (the amount varying with growth temperature), some oxygen, and were highly stressed and bowed on Si substrates, with some crazing evident in thin (2 micron) B-P and thick (5 micron) B-As films. The carbon level was generally higher in films grown using TEB as the boron source. Films grown from PH3 and TMB showed a higher carbon content than those grown from AsH3 and TMB. Based on their B/As and B/P ratios, films with nominal compositions B sub12-16 As2 and B sub1.1-1.3 P were grown using TMB as the boron source.

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

    DEFF Research Database (Denmark)

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

    1975-01-01

    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...

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

    CERN Document Server

    Puls, Manfred P

    2012-01-01

    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...

  11. 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)

    2006-07-01

    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)

  12. Boronated liposome development and evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Hawthorne, M.F. [Univ. of California, Los Angeles, CA (United States)

    1995-11-01

    The boronated liposome development and evaluation effort consists of two separate tasks. The first is the development of new boron compounds and the synthesis of known boron species with BNCT potential. These compounds are then encapsulated within liposomes for the second task, biodistribution testing in tumor-bearing mice, which examines the potential for the liposomes and their contents to concentrate boron in cancerous tissues.

  13. Chemistry of guanidinate-stabilised diboranes: transition-metal-catalysed dehydrocoupling and hydride abstraction.

    Science.gov (United States)

    Wagner, Arne; Litters, Sebastian; Elias, Jana; Kaifer, Elisabeth; Himmel, Hans-Jörg

    2014-09-22

    Herein, we analyse the catalytic boron-boron dehydrocoupling reaction that leads from the base-stabilised diborane(6) [H2 B(hpp)]2 (hpp=1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinate) to the base-stabilised diborane(4) [H2 B(hpp)]2 . A number of potential transition-metal precatalysts was studied, including transition-metal complexes of the product diborane(4). The synthesis and structural characterisation of two further examples of such complexes is presented. The best results for the dehydrocoupling reactions were obtained with precatalysts of Group 9 metals in the oxidation state of +I. The active catalyst is formed in situ through a multistep process that involves reduction of the precatalyst by the substrate [H2 B(hpp)]2 , and mechanistic investigations indicate that both heterogeneous and (slower) homogeneous reaction pathways play a role in the dehydrocoupling reaction. In addition, hydride abstraction from [H2 B(hpp)]2 and related diboranes is analysed and the possibility for subsequent deprotonation is discussed by probing the protic character of the cationic boron-hydrogen compounds with NMR spectroscopic analysis.

  14. Thin-film metal hydrides.

    Science.gov (United States)

    Remhof, Arndt; Borgschulte, Andreas

    2008-12-01

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

  15. High H- ionic conductivity in barium hydride

    Science.gov (United States)

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

    2015-01-01

    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.

  16. In Vivo Boron Uptake Determination for Boron Neutron Capture Synovectomy

    Energy Technology Data Exchange (ETDEWEB)

    Binello, Emanuela; Shortkroff, Sonya; Yanch, Jacquelyn C.

    1999-06-06

    Boron neutron capture synovectomy (BNCS) has been proposed as a new application of the boron neutron capture reaction for the treatment of rheumatoid arthritis. In BNCS, a boron compound is injected into the joint space, where it is taken up by the synovium. The joint is then irradiated with neutrons of a desired energy range, inducing the boron neutron capture reaction in boron-loaded cells. Boron uptake by the synovium is an important parameter in the assessment of the potential of BNCS and in the determination of whether to proceed to animal irradiations for the testing of therapeutic efficacy. We present results from an investigation of boron uptake in vivo by the synovium.

  17. Atom probe analysis of titanium hydride precipitates.

    Science.gov (United States)

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

    2009-04-01

    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.

  18. Lattice contraction in photochromic yttrium hydride

    Energy Technology Data Exchange (ETDEWEB)

    Maehlen, Jan Petter, E-mail: jepe@ife.no; Mongstad, Trygve T.; You, Chang Chuan; Karazhanov, Smagul

    2013-12-15

    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.

  19. Hydrogen storage in complex metal hydrides

    Directory of Open Access Journals (Sweden)

    BORISLAV BOGDANOVIĆ

    2009-02-01

    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.

  20. Iron Group Hydrides in Noyori Bifunctional Catalysis.

    Science.gov (United States)

    Morris, Robert H

    2016-12-01

    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.

  1. Boron contamination in drinking - irrigation water and boron removal methods

    Directory of Open Access Journals (Sweden)

    Meltem Bilici Başkan

    2014-03-01

    Full Text Available Boron presents in IIIA group of periodic table and has high ionization capacity. Therefore it is classified as a metalloid. Average boron concentration in earth's crust is 10 mg/kg. It presents in the environment as a salts of Ca, Na, and Mg. Boron reserves having high concentration and economical extent are found mostly in Turkey and in arid, volcanic and high hydrothermal activity regions of U.S. as compounds of boron attached to oxygen. Boron is an essential micronutrient for plants, although it may be toxic at higher levels. The range in which it is converted from a nutrient to a contaminant is quite narrow. Boron presents in water environment as a boric acid and rarely borate salts. The main boron sources, whose presence is detected in surface waters, are urban wastes and industrial wastes, which can come from a wide range of different activities as well as several chemical products used in agriculture. In Turkey, the most pollutant toxic element in drinking and irrigation water is boron. Therefore boron removal is very important in terms of human health and agricultural products in high quality. Mainly boron removal methods from drinking water and irrigation water are ion exchange, ultrafiltration, reverse osmosis, and adsorption.

  2. Plasma boron and the effects of boron supplementation in males.

    Science.gov (United States)

    Green, N R; Ferrando, A A

    1994-11-01

    Recently, a proliferation of athletic supplements has been marketed touting boron as an ergogenic aid capable of increasing testosterone. The effect of boron supplementation was investigated in male bodybuilders. Ten male bodybuilders (aged 20 to 26) were given a 2.5-mg boron supplement, while nine male bodybuilders (aged 21 to 27) were given a placebo for 7 weeks. Plasma total and free testosterone, plasma boron, lean body mass, and strength measurements were determined on day 1 and day 49 of the study. A microwave digestion procedure followed by inductively coupled argon plasma spectroscopy was used for boron determination. Twelve subjects had boron values at or above the detection limit with median value of 25 ng/ml (16 ng/ml lower quartile and 33 ng/ml upper quartile). Of the ten subjects receiving boron supplements, six had an increase in their plasma boron. Analysis of variance indicated no significant effect of boron supplementation on any of the other dependent variables. Both groups demonstrated significant increases in total testosterone (p bodybuilding can increase total testosterone, lean body mass, and strength in lesser-trained bodybuilders, but boron supplementation affects these variables not at all.

  3. Bright prospects for boron

    NARCIS (Netherlands)

    Wassink, J.

    2012-01-01

    Professor Lis Nanver at Dimes has laid the foundation for a range of new photodetectors by creating a thin coating of boron on a silicon substrate. The sensors are used in ASML’s latest lithography machines and FEI’s most sensitive electron microscopes.

  4. Methods of producing continuous boron carbide fibers

    Energy Technology Data Exchange (ETDEWEB)

    Garnier, John E.; Griffith, George W.

    2015-12-01

    Methods of producing continuous boron carbide fibers. The method comprises reacting a continuous carbon fiber material and a boron oxide gas within a temperature range of from approximately 1400.degree. C. to approximately 2200.degree. C. Continuous boron carbide fibers, continuous fibers comprising boron carbide, and articles including at least a boron carbide coating are also disclosed.

  5. Hydride formation on deformation twin in zirconium alloy

    Science.gov (United States)

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

    2016-12-01

    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.

  6. Destabilization of magnesium hydride through interface engineering

    NARCIS (Netherlands)

    Mooij, L.P.A.

    2013-01-01

    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

  7. Oxidation of Silicon and Boron in Boron Containing Molten Iron

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    A new process of directly smelting boron steel from boron-containing pig iron has been established. The starting material boron-containing pig iron was obtained from ludwigite ore, which is very abundant in the eastern area of Liaoning Province of China. The experiment was performed in a medium-frequency induction furnace, and Fe2O3 powder was used as the oxidizing agent. The effects of temperature, addition of Fe2O3, basicity, stirring, and composition of melt on the oxidation of silicon and boron were investigated respectively. The results showed that silicon and boron were oxidized simultaneously and their oxidation ratio exceeded 90% at 1 400 ℃. The favorable oxidation temperature of silicon was about 1 300-1 350 C. High oxygen potential of slag and strong stirring enhanced the oxidation of silicon and boron.

  8. Structures, stability, mechanical and electronic properties of α-boron and α*-boron

    OpenAIRE

    Chaoyu He; J. X. Zhong

    2013-01-01

    The structures, stability, mechanical and electronic properties of α-boron and a promising metastable boron phase (α*-boron) have been studied by first-principles calculations. α-boron and α*-boron consist of equivalent icosahedra B12 clusters in different connecting configurations of “3S-6D-3S” and “2S-6D-4S”, respectively. The total energy calculations show that α*-boron is less stable than α-boron but more favorable than the well-known β-boron and γ-boron at zero pressure. Both α-boron and...

  9. Fivefold twinned boron carbide nanowires.

    Science.gov (United States)

    Fu, Xin; Jiang, Jun; Liu, Chao; Yuan, Jun

    2009-09-01

    Chemical composition and crystal structure of fivefold twinned boron carbide nanowires have been determined by electron energy-loss spectroscopy and electron diffraction. The fivefold cyclic twinning relationship is confirmed by systematic axial rotation electron diffraction. Detailed chemical analysis reveals a carbon-rich boron carbide phase. Such boron carbide nanowires are potentially interesting because of their intrinsic hardness and high temperature thermoelectric property. Together with other boron-rich compounds, they may form a set of multiply twinned nanowire systems where the misfit strain could be continuously tuned to influence their mechanical properties.

  10. The electrochemical impedance of metal hydride electrodes

    DEFF Research Database (Denmark)

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

    2002-01-01

    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...

  11. Nickel metal hydride LEO cycle testing

    Science.gov (United States)

    Lowery, Eric

    1995-01-01

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

  12. Against Drought Stress Effect of Antioxidant Enzymes of Boron

    Directory of Open Access Journals (Sweden)

    Mahmut Doğan

    2013-04-01

    Full Text Available In this study, soybean seeds (Glycine max. L., cv., “A3935 were grown under controlled conditions (25±2 C composed of different boron compounds. In the experiment, 5 groups were determined respectively as potassium tetraborate tetrahydrate (1 mg/1, ammonium tetraborate tetrahydrate (1 mg/1, sodium boron hydride (1 mg/1, lithium tetraborate tetrahydrate (100 mg/1, and sodium tetraborate decahydrate (100 mg/1. The doses used in this study were determined according to the results of a preliminary study. Soybean seeds were exposed to different amounts of drought stress based on time (control, 3, 6, 9, 12, 15, and 18 days. Activities of antioxidant enzymes superoxide dismutase (SOD: EC 1.15.1.1, glutathione reductase (GR: EC 1.6.4.2, ascorbate peroxidase (APX: EC 1.11.1.11 and catalase (CAT: EC 1.11.1.6 measured. According to the results stress+potassium tetraborate tetrahydrate environment has increased the amount of CAT, decreased the amount GR, APX and SOD. Potassium tetraborate 0.1 mg / l dose administration is the most appropriate critical value, and the most important indicator of drought CAT enzyme found to give the best results.

  13. Plasmonic hydrogen sensing with nanostructured metal hydrides.

    Science.gov (United States)

    Wadell, Carl; Syrenova, Svetlana; Langhammer, Christoph

    2014-12-23

    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.

  14. Functionalized boron nitride nanotubes

    Science.gov (United States)

    Sainsbury, Toby; Ikuno, Takashi; Zettl, Alexander K

    2014-04-22

    A plasma treatment has been used to modify the surface of BNNTs. In one example, the surface of the BNNT has been modified using ammonia plasma to include amine functional groups. Amine functionalization allows BNNTs to be soluble in chloroform, which had not been possible previously. Further functionalization of amine-functionalized BNNTs with thiol-terminated organic molecules has also been demonstrated. Gold nanoparticles have been self-assembled at the surface of both amine- and thiol-functionalized boron nitride Nanotubes (BNNTs) in solution. This approach constitutes a basis for the preparation of highly functionalized BNNTs and for their utilization as nanoscale templates for assembly and integration with other nanoscale materials.

  15. Chronic boron exposure and human semen parameters.

    Science.gov (United States)

    Robbins, Wendie A; Xun, Lin; Jia, Juan; Kennedy, Nola; Elashoff, David A; Ping, Liu

    2010-04-01

    Boron found as borates in soil, food, and water has important industrial and medical applications. A panel reviewing NTP reproductive toxicants identified boric acid as high priority for occupational studies to determine safe versus adverse reproductive effects. To address this, we collected boron exposure/dose measures in workplace inhalable dust, dietary food/fluids, blood, semen, and urine from boron workers and two comparison worker groups (n=192) over three months and determined correlations between boron and semen parameters (total sperm count, sperm concentration, motility, morphology, DNA breakage, apoptosis and aneuploidy). Blood boron averaged 499.2 ppb for boron workers, 96.1 and 47.9 ppb for workers from high and low environmental boron areas (pBoron concentrated in seminal fluid. No significant correlations were found between blood or urine boron and adverse semen parameters. Exposures did not reach those causing adverse effects published in animal toxicology work but exceeded those previously published for boron occupational groups.

  16. New Pathways and Metrics for Enhanced, Reversible Hydrogen Storage in Boron-Doped Carbon Nanospaces

    Energy Technology Data Exchange (ETDEWEB)

    Pfeifer, Peter [University of Missouri; Wexler, Carlos [University of Missouri; Hawthorne, M. Frederick [University of Missouri; Lee, Mark W. [University of Missouri; Jalistegi, Satish S. [University of Missouri

    2014-08-14

    This project, since its start in 2007—entitled “Networks of boron-doped carbon nanopores for low-pressure reversible hydrogen storage” (2007-10) and “New pathways and metrics for enhanced, reversible hydrogen storage in boron-doped carbon nanospaces” (2010-13)—is in support of the DOE's National Hydrogen Storage Project, as part of the DOE Hydrogen and Fuel Cells Program’s comprehensive efforts to enable the widespread commercialization of hydrogen and fuel cell technologies in diverse sectors of the economy. Hydrogen storage is widely recognized as a critical enabling technology for the successful commercialization and market acceptance of hydrogen powered vehicles. Storing sufficient hydrogen on board a wide range of vehicle platforms, at energy densities comparable to gasoline, without compromising passenger or cargo space, remains an outstanding technical challenge. Of the main three thrust areas in 2007—metal hydrides, chemical hydrogen storage, and sorption-based hydrogen storage—sorption-based storage, i.e., storage of molecular hydrogen by adsorption on high-surface-area materials (carbons, metal-organic frameworks, and other porous organic networks), has emerged as the most promising path toward achieving the 2017 DOE storage targets of 0.055 kg H2/kg system (“5.5 wt%”) and 0.040 kg H2/liter system. The objective of the project is to develop high-surface-area carbon materials that are boron-doped by incorporation of boron into the carbon lattice at the outset, i.e., during the synthesis of the material. The rationale for boron-doping is the prediction that boron atoms in carbon will raise the binding energy of hydro- gen from 4-5 kJ/mol on the undoped surface to 10-14 kJ/mol on a doped surface, and accordingly the hydro- gen storage capacity of the material. The mechanism for the increase in binding energy is electron donation from H2 to electron-deficient B atoms, in the form of sp2 boron-carbon bonds. Our team is proud to have

  17. High energy density battery based on complex hydrides

    Science.gov (United States)

    Zidan, Ragaiy

    2016-04-26

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

  18. Method of making crack-free zirconium hydride

    Science.gov (United States)

    Sullivan, Richard W.

    1980-01-01

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

  19. Hydrogen storage in the form of metal hydrides

    Science.gov (United States)

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

    1984-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Thirugnasambandam G. Manivasagam

    2012-10-01

    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.

  1. Creating nanoshell on the surface of titanium hydride bead

    Directory of Open Access Journals (Sweden)

    PAVLENKO Vyacheslav Ivanovich

    2016-12-01

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Licavoli, Joseph J., E-mail: jjlicavo@mtu.edu; Sanders, Paul G., E-mail: sanders@mtu.edu

    2015-09-20

    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.

  3. Hydride morphology and striation formation during delayed hydride cracking in Zr-2.5% Nb

    Science.gov (United States)

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

    1996-08-01

    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.

  4. Atomic Motions in Ionic Hydrides: MgH2, NaMg3H3, and LiBH4

    Science.gov (United States)

    Conradi, Mark

    2009-03-01

    In hydrogen storage, rapid hydrogen diffusion is a key component for rapid reaction rates of dehydriding and rehydriding. In metallic systems, the light interstitial H atoms typically do display rapid diffusion. However, recent interest has focused on ionic and complex hydrides of light metal-atoms because of their high weight fractions of reversible hydrogen. These ionic complex hydrides generally reveal slow hydrogen diffusion and resultingly slow reaction kinetics. We report here studies of H diffusion using NMR in several such hydrides. In MgH2, the rate φH of H hopping remains too slow to narrow the H NMR up to 400 ^oC. T1D measurements, however, can detect the motion and find an activation energy of 1.72 eV, the first reported direct measurement of diffusion in MgH2. In ball-milled (bm) material with Nb2O5 catalyst additive, a fraction of the resonance intensity is narrowed starting at 50 ^oC, with the narrow fraction growing to 30% by 400 ^oC. A model for continuous growth of the narrow line, based on a wide distribution of motion rates, is presented. Ball-milling also greatly increases the laboratory-frame relaxation rates, T1-1, from paramagnetic defects created by the mechanical process. In bm NaMgH3, an even larger fraction of the resonance is motionally-narrowed, growing to nearly 100% by 300 ^oC. Clearly, ball-milling has a much more profound effect on ionic hydrides than the simple reduction of grain sizes and diffusion distances. In coarse-grain LiBH4 (with 13.8 weight% reversible hydrogen), an orientationally disordered solid phase occurs above 110 ^oC. Above the transition, the rate of Li ion diffusion increases remarkably. H diffusion starts to narrow the H NMR line around 170 ^oC, continuing to narrow up to the melt near 280 ^oC. To distinguish diffusion of (already rapidly rotating) BH4 units from H exchange between neighboring BH4, the ^11B resonance was studied. The boron line central transition becomes much narrower (400 Hz) than the width

  5. Rapid accurate isotopic measurements on boron in boric acid and boron carbide.

    Science.gov (United States)

    Duchateau, N L; Verbruggen, A; Hendrickx, F; De Bièvre, P

    1986-04-01

    A procedure is described whereby rapid and accurate isotopic measurements can be performed on boron in boric acid and boron carbide after fusion of these compounds with calcium carbonate. It allows the determination of the isotopic composition of boron in boric acid and boron carbide and the direct assay of boron or the (10)B isotope in boron carbide by isotope-dilution mass spectrometry.

  6. 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)

    2016-10-28

    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

  7. 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)

    2016-02-01

    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.

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

    DEFF Research Database (Denmark)

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

    2006-01-01

    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....

  9. Metal hydrides for concentrating solar thermal power energy storage

    Science.gov (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.

    2016-04-01

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

  10. A new and effective approach to boron removal by using novel boron-specific fungi isolated from boron mining wastewater.

    Science.gov (United States)

    Taştan, Burcu Ertit; Çakir, Dilara Nur; Dönmez, Gönül

    2016-01-01

    Boron-resistant fungi were isolated from the wastewater of a boron mine in Turkey. Boron removal efficiencies of Penicillium crustosum and Rhodotorula mucilaginosa were detected in different media compositions. Minimal Salt Medium (MSM) and two different waste media containing molasses (WM-1) or whey + molasses (WM-2) were tested to make this process cost effective when scaled up. Both isolates achieved high boron removal yields at the highest boron concentrations tested in MSM and WM-1. The maximum boron removal yield by P. crustosum was 45.68% at 33.95 mg l(-1) initial boron concentration in MSM, and was 38.97% at 42.76 mg l(-1) boron for R. mucilaginosa, which seemed to offer an economically feasible method of removing boron from the effluents.

  11. 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)

    2014-09-01

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

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

    Science.gov (United States)

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

    2014-09-01

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

  13. Lithium hydride - A space age shielding material

    Science.gov (United States)

    Welch, F. H.

    1974-01-01

    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.

  14. Development of nickel-metal hydride cell

    Science.gov (United States)

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

    1993-01-01

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

  15. Structural characterization of electrodeposited boron

    Indian Academy of Sciences (India)

    Ashish Jain; C Ghosh; T R Ravindran; S Anthonysamy; R Divakar; E Mohandas; G S Gupta

    2013-12-01

    Structural characterization of electrodeposited boron was carried out by using transmission electron microscopy and Raman spectroscopy. Electron diffraction and phase contrast imaging were carried out by using transmission electron microscopy. Phase identification was done based on the analysis of electron diffraction patterns and the power spectrum calculated from the lattice images from thin regions of the sample. Raman spectroscopic examination was carried out to study the nature of bonding and the allotropic form of boron obtained after electrodeposition. The results obtained from transmission electron microscopy showed the presence of nanocrystallites embedded in an amorphous mass of boron. Raman microscopic studies showed that amorphous boron could be converted to its crystalline form at high temperatures.

  16. Combustion of boron containing compositions

    Energy Technology Data Exchange (ETDEWEB)

    Frolov, Y.; Pivkina, A. [Institute of Chemical Physics, Russian Academy of Science, Moscow (Russian Federation)

    1996-12-31

    Boron is one of the most energetic components for explosives, propellants and for heterogeneous condensed systems in common. The combustion process of mixtures of boron with different oxidizers was studied. The burning rate, concentration combustion limits, the agglomeration and dispersion processes during reaction wave propagation were analysed in the respect of the percolation theory. The linear dependence of the burning rate on the contact surface value was demonstrated. The percolative model for the experimental results explanation is proposed. (authors) 5 refs.

  17. Boron diffusion in silicon devices

    Science.gov (United States)

    Rohatgi, Ajeet; Kim, Dong Seop; Nakayashiki, Kenta; Rounsaville, Brian

    2010-09-07

    Disclosed are various embodiments that include a process, an arrangement, and an apparatus for boron diffusion in a wafer. In one representative embodiment, a process is provided in which a boric oxide solution is applied to a surface of the wafer. Thereafter, the wafer is subjected to a fast heat ramp-up associated with a first heating cycle that results in a release of an amount of boron for diffusion into the wafer.

  18. From permanent magnets to rechargeable hydride electrodes

    Energy Technology Data Exchange (ETDEWEB)

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

    1987-02-15

    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.

  19. NATO Advanced Study Institute on Metal Hydrides

    CERN Document Server

    1981-01-01

    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...

  20. Metal hydrides for lithium-ion batteries.

    Science.gov (United States)

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

    2008-11-01

    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.

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

    Science.gov (United States)

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

    2015-02-02

    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.

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

    Science.gov (United States)

    Schmitt, R.

    1981-01-01

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

  3. Preparation of High Purity Amorphous Boron Powder

    Directory of Open Access Journals (Sweden)

    K.V. Tilekar

    2005-10-01

    Full Text Available Amorphous boron powder of high purity (92-94 % with a particle size of l-2 mm is preferred as a fuel for fuel-rich propellants for integrated rocket ramjets and for igniter formulations. Thispaper describes the studies on process optimisation of two processes, ie, oxidative roasting of boron (roasting boron in air and roasting boron with zinc in an inert medium for preparing high purity boron. Experimental studies reveal that roasting boron with zinc at optimised process conditions yields boron of purity more than 93 per cent, whereas oxidative roasting method yields boron of purity - 92 per cent. Oxidative roasting has comparative edge over the other processes owing to its ease of scale-up and simplicity

  4. Hydrogen desorption from nanostructured magnesium hydride composites

    Directory of Open Access Journals (Sweden)

    Brdarić Tanja P.

    2007-01-01

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Clayton, J.C.

    1979-10-01

    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.

  6. Artificial exomuscle investigations for applications--metal hydride.

    Science.gov (United States)

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

    2007-03-01

    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.

  7. DETERMINATION OF METAL HYDRIDE SYSTEMS CHARACTERISTICS WHILE HEATING

    Directory of Open Access Journals (Sweden)

    Yu. Kluchka

    2012-01-01

    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%.

  8. Bipolar Nickel-Metal Hydride Battery Being Developed

    Science.gov (United States)

    Manzo, Michelle A.

    1998-01-01

    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.

  9. High-pressure synthesis of noble metal hydrides.

    Science.gov (United States)

    Donnerer, Christian; Scheler, Thomas; Gregoryanz, Eugene

    2013-04-07

    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.

  10. 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)

    2007-03-01

    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)

  11. 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.

    2005-11-01

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

  12. Structures, stability, mechanical and electronic properties of a-boron and its twined brother a*-boron

    OpenAIRE

    He, Chaoyu; Zhong, Jianxin

    2013-01-01

    The structures, stability, mechanical and electronic properties of a-boron and its twined brother a*-boron have been studied by first-principles calculations. Both a-boron and a*-boron consist of equivalent icosahedra B12 clusters in different connecting configurations of "3S-6D-3S" and "2S-6D-4S", respectively. The total energy calculations show that a*-boron is less stable than a-boron but more favorable than beta-boron and Gamma-boron at zero pressure. Both a-boron and a*-boron are confirm...

  13. Method of selective reduction of polyhalosilanes with alkyltin hydrides

    Science.gov (United States)

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

    1989-01-01

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

  14. Method of selective reduction of halodisilanes with alkyltin hydrides

    Science.gov (United States)

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

    1989-01-01

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

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

    Science.gov (United States)

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

    2013-06-01

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

  16. 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: orgaz@eros.pquim.unam.mx; 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)

    2005-12-08

    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.

  17. Electronic structure and optical properties of lightweight metal hydrides

    NARCIS (Netherlands)

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

    2007-01-01

    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

  18. Boron doping a semiconductor particle

    Science.gov (United States)

    Stevens, Gary Don; Reynolds, Jeffrey Scott; Brown, Louanne Kay

    1998-06-09

    A method (10,30) of boron doping a semiconductor particle using boric acid to obtain a p-type doped particle. Either silicon spheres or silicon powder is mixed with a diluted solution of boric acid having a predetermined concentration. The spheres are dried (16), with the boron film then being driven (18) into the sphere. A melt procedure mixes the driven boron uniformly throughout the sphere. In the case of silicon powder, the powder is metered out (38) into piles and melted/fused (40) with an optical furnace. Both processes obtain a p-type doped silicon sphere with desired resistivity. Boric acid is not a restricted chemical, is inexpensive, and does not pose any special shipping, handling, or disposal requirements.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-09-30

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

  20. Metal Hydrides for High-Temperature Power Generation

    Directory of Open Access Journals (Sweden)

    Ewa C. E. Rönnebro

    2015-08-01

    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.

  1. Novel fuel cell stack with coupled metal hydride containers

    Science.gov (United States)

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

    2016-10-01

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

  2. The use of metal hydrides in fuel cell applications

    Directory of Open Access Journals (Sweden)

    Mykhaylo V. Lototskyy

    2017-02-01

    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.

  3. Metal hydrides based high energy density thermal battery

    Energy Technology Data Exchange (ETDEWEB)

    Fang, Zhigang Zak, E-mail: zak.fang@utah.edu [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)

    2015-10-05

    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.

  4. Thermal conductivity of boron carbides

    Science.gov (United States)

    Wood, C.; Emin, D.; Gray, P. E.

    1985-01-01

    Knowledge of the thermal conductivity of boron carbide is necessary to evaluate its potential for high-temperature thermoelectric energy conversion applications. Measurements have been conducted of the thermal diffusivity of hot-pressed boron carbide BxC samples as a function of composition (x in the range from 4 to 9), temperature (300-1700 K), and temperature cycling. These data, in concert with density and specific-heat data, yield the thermal conductivities of these materials. The results are discussed in terms of a structural model that has been previously advanced to explain the electronic transport data. Some novel mechanisms for thermal conduction are briefly discussed.

  5. Trialkylborane-Assisted CO(2) Reduction by Late Transition Metal Hydrides.

    Science.gov (United States)

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

    2011-01-01

    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.

  6. 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: mmsqshi@polyu.edu.hk [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)

    2015-04-15

    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.

  7. Designing metal hydride complexes for water splitting reactions: a molecular electrostatic potential approach.

    Science.gov (United States)

    Sandhya, K S; Suresh, Cherumuttathu H

    2014-08-28

    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.

  8. Chemical Hydride Slurry for Hydrogen Production and Storage

    Energy Technology Data Exchange (ETDEWEB)

    McClaine, Andrew W

    2008-09-30

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

  9. Advanced microstructure of boron carbide.

    Science.gov (United States)

    Werheit, Helmut; Shalamberidze, Sulkhan

    2012-09-26

    The rhombohedral elementary cell of the complex boron carbide structure is composed of B(12) or B(11)C icosahedra and CBC, CBB or B□B (□, vacancy) linear arrangements, whose shares vary depending on the actual chemical compound. The evaluation of the IR phonon spectra of isotopically pure boron carbide yields the quantitative concentrations of these components within the homogeneity range. The structure formula of B(4.3)C at the carbon-rich limit of the homogeneity range is (B(11)C) (CBC)(0.91) (B□B)(0.09) (□, vacancy); and the actual structure formula of B(13)C(2) is (B(12))(0.5)(B(11)C)(0.5)(CBC)(0.65)(CBB)(0.16) (B□B)(0.19), and deviates fundamentally from (B(12))CBC, predicted by theory to be the energetically most favourable structure of boron carbide. In reality, it is the most distorted structure in the homogeneity range. The spectra of (nat)B(x)C make it evident that boron isotopes are not randomly distributed in the structure. However, doping with 2% silicon brings about a random distribution.

  10. Friction anisotropy in boronated graphite

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, N., E-mail: niranjan@igcar.gov.in [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam (India); Radhika, R. [Crystal Growth Centre, Anna University, Chennai (India); Kozakov, A.T. [Research Institute of Physics, Southern Federal University, Rostov-on-Don (Russian Federation); Pandian, R. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam (India); Chakravarty, S. [UGC-DAE CSR, Kalpakkam (India); Ravindran, T.R.; Dash, S.; Tyagi, A.K. [Materials Science Group, Indira Gandhi Centre for Atomic Research, Kalpakkam (India)

    2015-01-01

    Graphical abstract: - Highlights: • Friction anisotropy in boronated graphite is observed in macroscopic sliding condition. • Low friction coefficient is observed in basal plane and becomes high in prismatic direction. • 3D phase of boronated graphite transformed into 2D structure after friction test. • Chemical activity is high in prismatic plane forming strong bonds between the sliding interfaces. - Abstract: Anisotropic friction behavior in macroscopic scale was observed in boronated graphite. Depending upon sliding speed and normal loads, this value was found to be in the range 0.1–0.35 in the direction of basal plane and becomes high 0.2–0.8 in prismatic face. Grazing-incidence X-ray diffraction analysis shows prominent reflection of (0 0 2) plane at basal and prismatic directions of boronated graphite. However, in both the wear tracks (1 1 0) plane become prominent and this transformation is induced by frictional energy. The structural transformation in wear tracks is supported by micro-Raman analysis which revealed that 3D phase of boronated graphite converted into a disordered 2D lattice structure. Thus, the structural aspect of disorder is similar in both the wear tracks and graphite transfer layers. Therefore, the crystallographic aspect is not adequate to explain anisotropic friction behavior. Results of X-ray photoelectron spectroscopy and Fourier transform infrared spectroscopy shows weak signature of oxygen complexes and functional groups in wear track of basal plane while these species dominate in prismatic direction. Abundance of these functional groups in prismatic plane indicates availability of chemically active sites tends to forming strong bonds between the sliding interfaces which eventually increases friction coefficient.

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

    Science.gov (United States)

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

    2016-07-01

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

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

    Science.gov (United States)

    Zollars, G. F.

    1980-01-01

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

  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

    2011-05-01

    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.

    1999-06-01

    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.

    Science.gov (United States)

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

    2016-08-10

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

  16. Comparison of the interactions in the rare gas hydride and Group 2 metal hydride anions.

    Science.gov (United States)

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

    2014-02-28

    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

    Science.gov (United States)

    Stafford, D. S.

    2015-11-01

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

  18. The effect of stress state on zirconium hydride reorientation

    Science.gov (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

    Science.gov (United States)

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

    2016-04-01

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

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

    NARCIS (Netherlands)

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

    2014-01-01

    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

    Science.gov (United States)

    ONISCHAK

    1976-01-01

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

  2. Jaguar Procedures for Detonation Behavior of Explosives Containing Boron

    Science.gov (United States)

    Stiel, L. I.; Baker, E. L.; Capellos, C.

    2009-12-01

    The Jaguar product library was expanded to include boron and boron containing products by analysis of Available Hugoniot and static volumetric data to obtain constants of the Murnaghan relationships for the components. Experimental melting points were also utilized to obtain the constants of the volumetric relationships for liquid boron and boron oxide. Detonation velocities for HMX—boron mixtures calculated with these relationships using Jaguar are in closer agreement with literature values at high initial densities for inert (unreacted) boron than with the completely reacted metal. These results indicate that the boron does not react near the detonation front or that boron mixtures exhibit eigenvalue detonation behavior (as shown by some aluminized explosives), with higher detonation velocities at the initial points. Analyses of calorimetric measurements for RDX—boron mixtures indicate that at high boron contents the formation of side products, including boron nitride and boron carbide, inhibits the detonation properties of the formulation.

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

    Science.gov (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. Synthesis of Boron Nanowires, Nanotubes, and Nanosheets

    Directory of Open Access Journals (Sweden)

    Rajen B. Patel

    2015-01-01

    Full Text Available The synthesis of boron nanowires, nanotubes, and nanosheets using a thermal vapor deposition process is reported. This work confirms previous research and provides a new method capable of synthesizing boron nanomaterials. The materials were made by using various combinations of MgB2, Mg(BH42, MCM-41, NiB, and Fe wire. Unlike previously reported methods, a nanoparticle catalyst and a silicate substrate are not required for synthesis. Two types of boron nanowires, boron nanotubes, and boron nanosheets were made. Their morphology and chemical composition were determined through the use of scanning electron microscopy, transmission electron microscopy, and electron energy loss spectroscopy. These boron-based materials have potential for electronic and hydrogen storage applications.

  5. Prediction of boron carbon nitrogen phase diagram

    Science.gov (United States)

    Yao, Sanxi; Zhang, Hantao; Widom, Michael

    We studied the phase diagram of boron, carbon and nitrogen, including the boron-carbon and boron-nitrogen binaries and the boron-carbon-nitrogen ternary. Based on the idea of electron counting and using a technique of mixing similar primitive cells, we constructed many ''electron precise'' structures. First principles calculation is performed on these structures, with either zero or high pressures. For the BN binary, our calculation confirms that a rhmobohedral phase can be stablized at high pressure, consistent with some experimental results. For the BCN ternary, a new ground state structure is discovered and an Ising-like phase transition is suggested. Moreover, we modeled BCN ternary phase diagram and show continuous solubility from boron carbide to the boron subnitride phase.

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

    Science.gov (United States)

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

    2016-01-19

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

  7. 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: m.luisa.cervera@uv.es [Department of Analytical Chemistry, University of Valencia, Valencia (Spain)

    2011-09-15

    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)

  8. 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

    2003-01-01

    @@ 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.

  9. CO2 hydrogenation on a metal hydride surface.

    Science.gov (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

    2012-04-28

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

  10. Composite Reinforcement using Boron Nitride Nanotubes

    Science.gov (United States)

    2014-05-09

    Final 3. DATES COVERED (From - To) 11-Mar-2013 to 10-Mar-2014 4. TITLE AND SUBTITLE Composite Reinforcement using Boron Nitride Nanotubes...AVAILABILITY STATEMENT Approved for public release. 13. SUPPLEMENTARY NOTES 14. ABSTRACT Boron nitride nanotubes have been proposed as a...and titanium (Ti) metal clusters with boron nitride nanotubes (BNNT). First-principles density-functional theory plus dispersion (DFT-D) calculations

  11. Oxygen radical functionalization of boron nitride nanosheets

    OpenAIRE

    MAY, PETER; Coleman, Jonathan; MCGOVERN, IGNATIUS; GOUNKO, IOURI; Satti, Amro

    2012-01-01

    PUBLISHED The covalent chemical functionalization of exfoliated hexagonal boron-nitride nanosheets (BNNSs) is achieved by the solution phase oxygen radical functionalization of boron atoms in the h-BN lattice. This involves a two-step procedure to initially covalently graft alkoxy groups to boron atoms and the subsequent hydrolytic defunctionalisation of the groups to yield hydroxyl-functionalized BNNSs (OH-BNNSs). Characterization of the functionalized-BNNSs using HR-TEM, Raman, UV-Vis, F...

  12. NUMERICAL ANALYSIS FOR HYDRIDING IN METAL HYDRIDE HYDROGEN STORAGE TANK%金属氢化物储氢器吸氢过程的数值分析

    Institute of Scientific and Technical Information of China (English)

    叶建华; 蒋利军; 李志念; 刘晓鹏; 王树茂

    2011-01-01

    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.

  13. Boron-10 ABUNCL Active Testing

    Energy Technology Data Exchange (ETDEWEB)

    Kouzes, Richard T.; Ely, James H.; Lintereur, Azaree T.; Siciliano, Edward R.

    2013-07-09

    The Department of Energy Office of Nuclear Safeguards and Security (NA-241) is supporting the project Coincidence Counting With Boron-Based Alternative Neutron Detection Technology at Pacific Northwest National Laboratory (PNNL) for the development of a 3He proportional counter alternative neutron coincidence counter. The goal of this project is to design, build and demonstrate a system based upon 10B-lined proportional tubes in a configuration typical for 3He-based coincidence counter applications. This report provides results from testing of the active mode of the General Electric Reuter-Stokes Alternative Boron-Based Uranium Neutron Coincidence Collar (ABUNCL) at Los Alamos National Laboratory using sources and fuel pins.

  14. Boron deposition from fused salts. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Smith, M.L.

    1980-08-01

    A partial evaluation of the feasibility of a process to electrodeposit pure coherent coatings of elemental boron from molten fluorides has been performed. The deposit produced was powdery and acicular, unless the fluoride melt was purified to have very low oxygen concentration. When the oxygen activity was reduced in the melt by addition of crystalline elemental boron, dense, amorphous boron deposit was produced. The boron deposits produced had cracks but were otherwise pure and dense and ranged up to 0.35 mm thick. Information derived during this project suggests that similar deposits might be obtained crack-free up to 1.00 mm thick by process modifications and improvements.

  15. Mineral resource of the month: boron

    Science.gov (United States)

    Crangle, Robert D.

    2012-01-01

    The article offers information on the mineral, boron. Boron compounds, particularly borates, have more commercial applications than its elemental relative which is a metalloid. Making up the 90% of the borates that are used worldwide are colemanite, kernite, tincal, and ulexite. The main borate deposits are located in the Mojave Desert of the U.S., the Tethyan belt in southern Asia, and the Andean belt of South America. Underground and surface mining are being used in gathering boron compounds. INSETS: Fun facts;Boron production and consumption.

  16. Boron removal from geothermal waters by electrocoagulation

    Energy Technology Data Exchange (ETDEWEB)

    Yilmaz, A. Erdem [Atatuerk University, Faculty of Engineering, Department of Environmental Engineering., 25240 Erzurum (Turkey)], E-mail: aerdemy@atauni.edu.tr; Boncukcuoglu, Recep [Atatuerk University, Faculty of Engineering, Department of Environmental Engineering., 25240 Erzurum (Turkey); Kocakerim, M. Muhtar [Atatuerk University, Faculty of Engineering, Department of Chemical Engineering, 25240 Erzurum (Turkey); Yilmaz, M. Tolga; Paluluoglu, Cihan [Atatuerk University, Faculty of Engineering, Department of Environmental Engineering., 25240 Erzurum (Turkey)

    2008-05-01

    Most of the geothermal waters in Turkey contain extremely high concentration of boron when they are used for irrigation. The use of geothermal waters for irrigation can results in excess amount deposition of boron in soil. On the other hand, a minimal boron concentration is required for irrigational waters. In this study, electrocoagulation (EC) was selected as a treatment process for the removal of boron from thermal waters obtained from Ilica-Erzurum in Turkey. Current density (CD), pH of solution and temperature of solution were selected as operational parameters. The results showed that boron removal efficiency increased from pH 4.0 to 8.0 and decreased at pH 10.0. Although boron removal efficiency was highest at pH 8.0, energy consumption was very high at this pH value compared to other pH intervals. Boron removal efficiency reached to 95% with increasing current density from 1.5 to 6.0 mA/cm{sup 2}, but energy consumption was also increased in this interval. At higher temperatures of solution, such as 313 and 333 K, boron removal efficiency increased. At optimum conditions, boron removal efficiency in geothermal water reached up to 95%.

  17. High-Spin Cobalt Hydrides for Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Holland, Patrick L. [Yale University

    2013-08-29

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

  18. Conduction mechanism in boron carbide

    Science.gov (United States)

    Wood, C.; Emin, D.

    1984-01-01

    Electrical conductivity, Seebeck-coefficient, and Hall-effect measurements have been made on single-phase boron carbides, B(1-x)C(x), in the compositional range from 0.1 to 0.2 X, and between room temperature and 1273 K. The results indicate that the predominant conduction mechanism is small-polaron hopping between carbon atoms at geometrically inequivalent sites.

  19. 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)

    2013-08-20

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

  20. 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: sharma.yamini62@gmail.com; Dwivedi, Shalini, E-mail: sharma.yamini62@gmail.com; Sharma, Yamini, E-mail: sharma.yamini62@gmail.com [Theoretical Condensed Matter Physics Laboratory, Dept. of Physics Feroze Gandhi College, Raebareli-229001 (India)

    2014-04-24

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

  1. Hydride formation in core-shell alloyed metal nanoparticles

    Science.gov (United States)

    Zhdanov, Vladimir P.

    2016-07-01

    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.

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

    Directory of Open Access Journals (Sweden)

    Simone Giusepponi

    2012-07-01

    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.

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

    Science.gov (United States)

    Esrafili, Mehdi D.; Mohammadian-Sabet, Fariba

    2016-06-01

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

  4. 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)

    2016-12-20

    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.

  5. Boron coating on boron nitride coated nuclear fuels by chemical vapor deposition

    Science.gov (United States)

    Durmazuçar, Hasan H.; Gündüz, Güngör

    2000-12-01

    Uranium dioxide-only and uranium dioxide-gadolinium oxide (5% and 10%) ceramic nuclear fuel pellets which were already coated with boron nitride were coated with thin boron layer by chemical vapor deposition to increase the burn-up efficiency of the fuel during reactor operation. Coating was accomplished from the reaction of boron trichloride with hydrogen at 1250 K in a tube furnace, and then sintering at 1400 and 1525 K. The deposited boron was identified by infrared spectrum. The morphology of the coating was studied by using scanning electron microscope. The plate, grainy and string (fiber)-like boron structures were observed.

  6. Chemical Hydride Slurry for Hydrogen Production and Storage

    Energy Technology Data Exchange (ETDEWEB)

    McClaine, Andrew W

    2008-09-30

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Hsu, Hsiao-Hung, E-mail: 175877@mail.csc.com.tw [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)

    2014-04-01

    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.

  8. Boron Separation by the Two-step Ion-Exchange for the Isotopic Measurement of Boron

    Institute of Scientific and Technical Information of China (English)

    WANG,Qing-Zhong(王庆忠); XIAO,Ying-Kai(肖应凯); WANG,Yun-Hui(王蕴惠); ZHANG,Chong-Geng(张崇耿); WEI,Hai-Zhen(魏海珍)

    2002-01-01

    An improved procedure for extraction and purification of boron from natural samples is presented. The separation and purification of boron was carried out using a boron-specific resin, Amberlite IRA743, and a mixed ion exchange resin,Dowex 50W × 8 and Ion Exchanger Ⅱ resin. Using the mixed ion exchange resin which adsorbs all cations and anions except boron, the HCl and other cations and anions left in eluant from the Amberlite IRA 743 were removed effectively. In this case, boron loss can be avoided because the boron-bearing solution does not have to be evaporated to reach dryness to dislodge HCl. The boron recovery ranged from 97.6% to 102% in this study. The isotopic fractionation of boron can be negligible within the precision of the isotopic measurement. The results show that boron separation for the isotopic measurement by using both Amberlite IRA 743 resin and the mixed rein is more effective than that using Amberlite IRA 743 resin alone. The boron in samples of brine, seawater, rock, coral and foraminifer were separated by this procedure. Boron isotopic compositions of these samples were measured by thermal ionization mass spectrometry in this study.

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

    Science.gov (United States)

    Congdon, James W.

    2009-03-17

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

  10. 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.

    2016-01-01

    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

  11. Diffusion model of delayed hydride cracking in zirconium alloys

    NARCIS (Netherlands)

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

    2004-01-01

    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

  12. Hydrogen Storage in Porous Materials and Magnesium Hydrides

    NARCIS (Netherlands)

    Grzech, A.

    2013-01-01

    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

  13. Optimization of Internal Cooling Fins for Metal Hydride Reactors

    Directory of Open Access Journals (Sweden)

    Vamsi Krishna Kukkapalli

    2016-06-01

    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.

  14. Structural stability of complex hydrides LiBH4 revisited

    DEFF Research Database (Denmark)

    Lodziana, Zbigniew; Vegge, Tejs

    2004-01-01

    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...

  15. Hydride encapsulation by molecular alkali-metal clusters.

    Science.gov (United States)

    Haywood, Joanna; Wheatley, Andrew E H

    2008-07-14

    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.

  16. Optimizing Misch-Metal Compositions In Metal Hydride Anodes

    Science.gov (United States)

    Bugga, Ratnakumar V.; Halpert, Gerald

    1995-01-01

    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.

  17. Well-defined transition metal hydrides in catalytic isomerizations.

    Science.gov (United States)

    Larionov, Evgeny; Li, Houhua; Mazet, Clément

    2014-09-07

    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.

  18. Nanocrystalline Metal Hydrides Obtained by Severe Plastic Deformations

    Directory of Open Access Journals (Sweden)

    Jacques Huot

    2012-01-01

    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.

  19. Metal hydrides for smart window and sensor applications

    NARCIS (Netherlands)

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

    2013-01-01

    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

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

    Science.gov (United States)

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

    2015-07-16

    Tribochemical decomposition of magnesium hydride (MgH2) induced by deformation at room temperature was studied on a micrometric scale, in situ and in real time. During deformation, a near-full depletion of hydrogen in the micrometric affected zone is observed through an instantaneous (t MgH2 with reduced crystal size by mechanical deformation.

  1. KNH2-KH: a metal amide-hydride solid solution.

    Science.gov (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

    2016-09-27

    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.

  2. Possible toxicity of boron on sugar cane

    Energy Technology Data Exchange (ETDEWEB)

    Bravo C., M.

    Analyses of necrotic and green leaf tissues from sugar cane grown in the Tambo Valley (Arequipa, Peru) have shown that the boron concentration in necrotic tissue (average 657.7 ppm) is several times higher than that in the green tissue (average 55.7 ppm). This suggests that the necrosis may be due to boron toxicity.

  3. Computational Evidence for the Smallest Boron Nanotube

    Institute of Scientific and Technical Information of China (English)

    Xian Jie LIN; Dong Ju ZHANG; Cheng Bu LIU

    2006-01-01

    The structure of boron nanotubes (BNTs) was found not to be limited to hexagonal pyramidal structures. Based on density functional theory calculations we provided evidence for the smallest boron nanotube, a geometrical analog of the corresponding carbon nanotube. As shown by our calculations, the smallest BNT possesses highly structural, dynamical, and thermal stability, which should be interest for attempts at its synthesis.

  4. Boron carbide whiskers produced by vapor deposition

    Science.gov (United States)

    1965-01-01

    Boron carbide whiskers have an excellent combination of properties for use as a reinforcement material. They are produced by vaporizing boron carbide powder and condensing the vapors on a substrate. Certain catalysts promote the growth rate and size of the whiskers.

  5. Boron rates for triticale and wheat crops

    Directory of Open Access Journals (Sweden)

    Corrêa Juliano Corulli

    2005-01-01

    Full Text Available No reports are registered on responses to boron fertilization nutrient deficiency and toxicity in triticale crops. The aim of this study was to evaluate triticale response to different rates of boron in comparison to wheat in an hapludox with initial boron level at 0.08 mg dm-3 4 4 factorial design trial completely randomized blocks design (n = 4. Boron rates were 0; 0.62; 1.24 and 1.86 mg dm-3; triticale cultivars were IAC 3, BR 4 and BR 53 and IAPAR 38 wheat crop was used for comparison. The wheat (IAPAR 38 crop presented the highest boron absorption level of all. Among triticale cultivars, the most responsive was IAC 53, presenting similar characteristics to wheat, followed by BR 4; these two crops are considered tolerant to higher boron rates in soil. Regarding to BR 53, no absorption effect was observed, and the cultivars was sensitive to boron toxicity. Absorption responses differed for each genotype. That makes it possible to choose and use the best-adapted plants to soils with different boron rates.

  6. Boron Carbides As Thermo-electric Materials

    Science.gov (United States)

    Wood, Charles

    1988-01-01

    Report reviews recent theoretical and experimental research on thermoelectric materials. Recent work with narrow-band semiconductors demonstrated possibility of relatively high thermoelectric energy-conversion efficiencies in materials withstanding high temperatures needed to attain such efficiencies. Among promising semiconductors are boron-rich borides, especially boron carbides.

  7. Activation and discharge kinetics of metal hydride electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Johnsen, Stein Egil

    2003-07-01

    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

  8. Thin-film metal hydrides for solar energy applications

    Energy Technology Data Exchange (ETDEWEB)

    Mongstad, Trygve Tveiteraas

    2012-11-01

    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

  9. Boronated mesophase pitch coke for lithium insertion

    Science.gov (United States)

    Frackowiak, E.; Machnikowski, J.; Kaczmarska, H.; Béguin, F.

    Boronated carbons from mesophase pitch have been used as materials for lithium storage in Li/carbon cells. Doping by boron has been realized by co-pyrolysis of coal tar pitch with the pyridine-borane complex. Amount of boron in mesocarbon microbeads (MCMB) varied from 1.4 to 1.8 wt.% affecting the texture of carbon. Optical microscopy and X-ray diffractograms have shown tendency to more disordered structure for boron-doped carbon. The values of specific reversible capacity ( x) varied from 0.7 to 1.1 depending significantly on the final temperature of pyrolysis (700-1150°C). The optimal charge/discharge performance was observed for boronated carbon heated at 1000°C.

  10. Stabilization of boron carbide via silicon doping.

    Science.gov (United States)

    Proctor, J E; Bhakhri, V; Hao, R; Prior, T J; Scheler, T; Gregoryanz, E; Chhowalla, M; Giulani, F

    2015-01-14

    Boron carbide is one of the lightest and hardest ceramics, but its applications are limited by its poor stability against a partial phase separation into separate boron and carbon. Phase separation is observed under high non-hydrostatic stress (both static and dynamic), resulting in amorphization. The phase separation is thought to occur in just one of the many naturally occurring polytypes in the material, and this raises the possibility of doping the boron carbide to eliminate this polytype. In this work, we have synthesized boron carbide doped with silicon. We have conducted a series of characterizations (transmission electron microscopy, scanning electron microscopy, Raman spectroscopy and x-ray diffraction) on pure and silicon-doped boron carbide following static compression to 50 GPa non-hydrostatic pressure. We find that the level of amorphization under static non-hydrostatic pressure is drastically reduced by the silicon doping.

  11. XPS analysis of boron doped heterofullerenes

    Energy Technology Data Exchange (ETDEWEB)

    Schnyder, B.; Koetz, R. [Paul Scherrer Inst. (PSI), Villigen (Switzerland); Muhr, H.J.; Nesper, R. [ETH Zurich, Zurich (Switzerland)

    1997-06-01

    Boron heterofullerenes were generated through arc-evaporation of doped graphite rods in a helium atmosphere. According to mass spectrometric analysis only mono-substituted fullerenes like C{sub 59}B, C{sub 69}B and higher homologues together with a large fraction of higher undoped fullerenes were extracted and enriched when pyridine was used as the solvent. XPS analysis of the extracts indicated the presence of two boron species with significantly different binding energies. One peak was assigned to borid acid. The second one corresponds to boron in the fullerene cage, which is mainly C{sub 59}B, according to the mass spectrum. This boron is in a somewhat higher oxidation state than that of ordinary boron-carbon compounds. The reported synthesis and extraction procedure opens a viable route for production of macroscopic amounts of these compounds. (author) 2 figs., 1 tab., 7 refs.

  12. Metal Hydrides as hot carrier cell absorber materials

    Science.gov (United States)

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

    2016-09-01

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Tarasov, Boris P., E-mail: tarasov@icp.ac.ru [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: volodymyr.yartys@ife.no [Institute for Energy Technology, Kjeller NO 2027 (Norway); Department of Materials Science and Engineering, Norwegian University of Science and Technology, Trondheim NO 7491 (Norway)

    2015-10-05

    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.

  14. Boron enrichment in martian clay.

    Directory of Open Access Journals (Sweden)

    James D Stephenson

    Full Text Available We have detected a concentration of boron in martian clay far in excess of that in any previously reported extra-terrestrial object. This enrichment indicates that the chemistry necessary for the formation of ribose, a key component of RNA, could have existed on Mars since the formation of early clay deposits, contemporary to the emergence of life on Earth. Given the greater similarity of Earth and Mars early in their geological history, and the extensive disruption of Earth's earliest mineralogy by plate tectonics, we suggest that the conditions for prebiotic ribose synthesis may be better understood by further Mars exploration.

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

    Science.gov (United States)

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

    1991-01-01

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

  16. Dissociation potential curves of low-lying states in transition metal hydrides. 3. Hydrides of groups 6 and 7.

    Science.gov (United States)

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

    2006-02-23

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-02-14

    alanate from alkali hydride, Al and hydrogen, was hampering reversibility. The reverse reaction was then studied for the same phase diagram, starting with LiH, NaH, and MgH2, and Al. The study was extended to phase diagrams including KH and CaH2 as well. The observed hydrogen storage capacity in the Al hexahydrides was less than 4 wt. %, well short of DOE targets. The HT assay came on line and after certification with studies on NaAlH4, was first applied to the LiNH2 - LiBH4 - MgH2 phase diagram. The 60-point study elucidated trends within the system locating an optimum material of 0.6 LiNH2 0.3 MgH2 0.1 LiBH4 that stored about 4 wt. % H2 reversibly and operated below 220 °C. Also present was the phase Li4(NH2)3BH4, which had been discovered in the LiNH2 -LiBH4 system. This new ternary formulation performed much better than the well-known 2 LiNH2MgH2 system by 50 °C in the HT assay. The Li4(NH2)3BH4 is a low melting ionic liquid under our test conditions and facilitates the phase transformations required in the hydrogen storage reaction, which no longer relies on a higher energy solid state reaction pathway. Further study showed that the 0.6 LiNH2 0.3 MgH2 0.1 LiBH4 formulation was very stable with respect to ammonia and diborane desorption, the observed desorption was from hydrogen. This result could not have been anticipated and was made possible by the efficiency of HT combinatorial methods. Investigation of the analogous LiNH2 LiBH4 CaH2 phase diagram revealed new reversible hydrogen storage materials 0.625 LiBH4 + 0.375 CaH2 and 0.375 LiNH2 + 0.25 LiBH4 + 0.375 CaH2 operating at 1 wt. % reversible hydrogen below 175 °C. Powder x-ray diffraction revealed a new structure for the spent materials which had not been previously observed. While the storage capacity was not impressive, an important aspect is that it boron appears to participate in a low temperature reversible reaction. The last major area of study also focused on activating boron-based materials in

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-02-14

    alanate from alkali hydride, Al and hydrogen, was hampering reversibility. The reverse reaction was then studied for the same phase diagram, starting with LiH, NaH, and MgH2, and Al. The study was extended to phase diagrams including KH and CaH2 as well. The observed hydrogen storage capacity in the Al hexahydrides was less than 4 wt. %, well short of DOE targets. The HT assay came on line and after certification with studies on NaAlH4, was first applied to the LiNH2 - LiBH4 - MgH2 phase diagram. The 60-point study elucidated trends within the system locating an optimum material of 0.6 LiNH2 0.3 MgH2 0.1 LiBH4 that stored about 4 wt. % H2 reversibly and operated below 220 °C. Also present was the phase Li4(NH2)3BH4, which had been discovered in the LiNH2 -LiBH4 system. This new ternary formulation performed much better than the well-known 2 LiNH2MgH2 system by 50 °C in the HT assay. The Li4(NH2)3BH4 is a low melting ionic liquid under our test conditions and facilitates the phase transformations required in the hydrogen storage reaction, which no longer relies on a higher energy solid state reaction pathway. Further study showed that the 0.6 LiNH2 0.3 MgH2 0.1 LiBH4 formulation was very stable with respect to ammonia and diborane desorption, the observed desorption was from hydrogen. This result could not have been anticipated and was made possible by the efficiency of HT combinatorial methods. Investigation of the analogous LiNH2 LiBH4 CaH2 phase diagram revealed new reversible hydrogen storage materials 0.625 LiBH4 + 0.375 CaH2 and 0.375 LiNH2 + 0.25 LiBH4 + 0.375 CaH2 operating at 1 wt. % reversible hydrogen below 175 °C. Powder x-ray diffraction revealed a new structure for the spent materials which had not been previously observed. While the storage capacity was not impressive, an important aspect is that it boron appears to participate in a low temperature reversible reaction. The last major area of study also focused on activating boron-based materials in

  19. Heavy hydrides: H2Te ultraviolet photochemistry

    Science.gov (United States)

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

    2005-08-01

    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

  20. 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.

    2012-02-01

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

  1. Autoionizing states of atomic boron

    Science.gov (United States)

    Argenti, Luca; Moccia, Roberto

    2016-04-01

    We present a B -spline K -matrix method for three-active-electron atoms in the presence of a polarizable core, with which it is possible to compute multichannel single-ionization scattering states with good accuracy. We illustrate the capabilities of the method by computing the parameters of several autoionizing states of the boron atom, with S2e, 2,o2P and D2e symmetry, up to at least the 2 p2(1S) excitation threshold of the B ii parent ion, as well as selected portions of the photoionization cross section from the ground state. Our results exhibit remarkable gauge consistency, they significantly extend the existing sparse record of data for the boron atom, and they are in good agreement with the few experimental and theoretical data available in the literature. These results open the way to extend to three-active-electron systems the spectral analysis of correlated wave packets in terms of accurate scattering states that has already been demonstrated for two-electron atoms in Argenti and Lindroth [Phys. Rev. Lett. 105, 053002 (2010), 10.1103/PhysRevLett.105.053002].

  2. Combustion synthesis of novel boron carbide

    Science.gov (United States)

    Harini, R. Saai; Manikandan, E.; Anthonysamy, S.; Chandramouli, V.; Eswaramoorthy, D.

    2013-02-01

    The solid-state boron carbide is one of the hardest materials known, ranking third behind diamond and cubic boron nitride. Boron carbide (BxCx) enriched in the 10B isotope is used as a control rod material in the nuclear industry due to its high neutron absorption cross section and other favorable physico-chemical properties. Conventional methods of preparation of boron carbide are energy intensive processes accompanied by huge loss of boron. Attempts were made at IGCAR Kalpakkam to develop energy efficient and cost effective methods to prepare boron carbide. The products of the gel combustion and microwave synthesis experiments were characterized for phase purity by XRD. The carbide formation was ascertained using finger-print spectroscopy of FTIR. Samples of pyrolized/microwave heated powder were characterized for surface morphology using SEM. The present work shows the recent advances in understanding of structural and chemical variations in boron carbide and their influence on morphology, optical and vibrational property results discussed in details.

  3. Method of synthesizing cubic system boron nitride

    Energy Technology Data Exchange (ETDEWEB)

    Yuzu, S.; Sumiya, H.; Degawa, J.

    1987-10-13

    A method is described for synthetically growing cubic system boron nitride crystals by using boron nitride sources, solvents for dissolving the boron nitride sources, and seed crystals under conditions of ultra-high pressure and high temperature for maintaining the cubic system boron nitride stable. The method comprises the following steps: preparing a synthesizing vessel having at least two chambers, arrayed in order in the synthesizing vessel so as to be heated according to a temperature gradient; placing the solvents having different eutectic temperatures in each chamber with respect to the boron nitride sources according to the temperature gradient; placing the boron nitride source in contact with a portion of each of the solvents heated at a relatively higher temperature and placing at least a seed crystal in a portion of each of the solvents heated at a relatively lower temperature; and growing at least one cubic system boron nitride crystal in each of the solvents in the chambers by heating the synthesizing vessel for establishing the temperature gradient while maintaining conditions of ultra-high pressure and high temperature.

  4. X-ray diffraction study of boron produced by pyrolysis of boron tribromide

    Science.gov (United States)

    Rosenberg, David

    The goal of this research was to determine the composition of boron deposits produced by pyrolysis of boron tribromide, and to use the results to (a) determine the experimental conditions (reaction temperature, etc.) necessary to produce alpha-rhombohedral boron and (b) guide the development/refinement of the pyrolysis experiments such that large, high purity crystals of alpha-rhombohedral boron can be produced with consistency. Developing a method for producing large, high purity alpha-rhombohedral boron crystals is of interest because such crystals could potentially be used to achieve an alpha-rhombohedral boron based neutron detector design (a solid-state detector) that could serve as an alternative to existing neutron detector technologies. The supply of neutron detectors in the United States has been hampered for a number of years due to the current shortage of helium-3 (a gas used in many existing neutron detector technologies); the development of alternative neutron detector technology such as an alpha-rhombohedral boron based detector would help provide a more sustainable supply of neutron detectors in this country. In addition, the prospect/concept of an alpha-rhombohedral boron based neutron detector is attractive because it offers the possibility of achieving a design that is smaller, longer life, less power consuming, and potentially more sensitive than existing neutron detectors. The main difficulty associated with creating an alpha-rhombohedral boron based neutron detector is that producing large, high purity crystals of alpha-rhombohedral boron is extremely challenging. Past researchers have successfully made alpha-rhombohedral boron via a number of methods, but no one has developed a method for consistently producing large, high purity crystals. Alpha-rhombohedral boron is difficult to make because it is only stable at temperatures below around 1100-1200 °C, its formation is very sensitive to impurities, and the conditions necessary for its

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

    Science.gov (United States)

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

    2013-09-01

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

  6. From Boron Cluster to Two-Dimensional Boron Sheet on Cu(111) Surface: Growth Mechanism and Hole Formation

    OpenAIRE

    Hongsheng Liu; Junfeng Gao; Jijun Zhao

    2013-01-01

    As attractive analogue of graphene, boron monolayers have been theoretically predicted. However, due to electron deficiency of boron atom, synthesizing boron monolayer is very challenging in experiments. Using first-principles calculations, we explore stability and growth mechanism of various boron sheets on Cu(111) substrate. The monotonic decrease of formation energy of boron cluster BN with increasing cluster size and low diffusion barrier for a single B atom on Cu(111) surface ensure cont...

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

    Energy Technology Data Exchange (ETDEWEB)

    Greenspan, Ehud; Todreas, Neil; Taiwo, Temitope

    2009-03-10

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

  8. Heat transfer analysis of metal hydrides in metal-hydrogen secondary batteries

    Science.gov (United States)

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

    1976-01-01

    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.

  9. Molecular early main group metal hydrides: synthetic challenge, structures and applications.

    Science.gov (United States)

    Harder, Sjoerd

    2012-11-25

    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.

  10. Developments in boron magnetic resonance imaging (MRI)

    Energy Technology Data Exchange (ETDEWEB)

    Schweizer, M.

    1995-11-01

    This report summarizes progress during the past year on maturing Boron-11 magnetic resonance imaging (MRI) methodology for noninvasive determination of BNCT agents (BSH) spatially in time. Three major areas are excerpted: (1) Boron-11 MRI of BSH distributions in a canine intracranial tumor model and the first human glioblastoma patient, (2) whole body Boron-11 MRI of BSH pharmacokinetics in a rat flank tumor model, and (3) penetration of gadolinium salts through the BBB as a function of tumor growth in the canine brain.

  11. Bonding in boron: building high-pressure phases from boron sheets

    Energy Technology Data Exchange (ETDEWEB)

    Kunstmann, Jens [Institute for Materials Science and Max Bergmann Center of Biomaterials, Dresden University of Technology (Germany); Boeri, Lilia [Max Planck Institute for Solid State Research, Stuttgart (Germany); Kortus, Jens [Institute for Theoretical Physics, TU Bergakademie Freiberg (Germany)

    2010-07-01

    We present the results of a study of the high pressure phase diagram of elemental boron, using full-potential density functional calculations. We show that at high pressures (P > 100 GPa) boron crystallizes in quasi-layered bulk phases, characterized by in-plane multicenter bonds and out-of-plane unidimensional sigma bonds. These structures are all metallic, in contrast to the low-pressure icosahedral ones, which are semiconducting. We show that the structure and bonding of layered bulk phases can be easily described in terms of single puckered boron sheets. Our results bridge the gap between boron nanostructures and bulk phases.

  12. Characterization of boron tolerant bacteria isolated from a fly ash dumping site for bacterial boron remediation.

    Science.gov (United States)

    Edward Raja, Chellaiah; Omine, Kiyoshi

    2013-08-01

    Boron is an essential micronutrient for plants, but can above certain concentrations be toxic to living organisms. A major environmental concern is the removal of boron from contaminated water and fly ash. For this purpose, the samples were collected from a fly ash dumping site, Nagasaki prefecture, Japan. The chemical characteristics and heavy metal concentration of the samples were performed by X-ray fluorescent analysis and leaching test. For bacterial analysis, samples were collected in sterile plastic sheets and isolation was carried out by serial dilution method. The boron tolerant isolates that showed values of maximum inhibitory concentration toward boron ranging from 100 to 260 mM level were screened. Based on 16S rRNA sequencing and phylogenetic analysis, the isolates were most closely related to the genera Bacillus, Lysinibacillus, Microbacterium and Ralstonia. The boron tolerance of these strains was also associated with resistant to several heavy metals, such as As (III), Cr (VI), Cd, Cu, Pb, Ni, Se (III) and Zn. Indeed, these strains were arsenic oxidizing bacteria confirmed by silver nitrate test. These strains exhibited their salt resistances ranging from 4 to 15 % were determined in Trypticase soy agar medium. The boron tolerant strains were capable of removing 0.1-2.0 and 2.7-3.7 mg l(-1) boron from the medium and fly ash at 168 h. Thus, we have successfully identified the boron tolerant and removal bacteria from a fly ash dumping site for boron remediation.

  13. On the spectroscopic detection of neutral species in a low-pressure plasma containing boron and hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Lavrov, B P [Faculty of Physics, St. Petersburg State University, St. Petersburg, 198504 (Russian Federation); Osiac, M [Institut fuer Niedertemperatur-Plasmaphysik, 17489 Greifswald, Friedrich-Ludwig-Jahn-Str. 19 (Germany); Pipa, A V [Faculty of Physics, St. Petersburg State University, St. Petersburg, 198504 (Russian Federation); Roepcke, J [Institut fuer Niedertemperatur-Plasmaphysik, 17489 Greifswald, Friedrich-Ludwig-Jahn-Str. 19 (Germany)

    2003-11-01

    Spectroscopic studies of microwave discharges in H{sub 2}-Ar-B{sub 2}H{sub 6} gas mixtures (f = 2.45 GHz, P = 1.2-3.5 kW, p = 1-8 mbar) have been performed to improve the possibilities of diagnostics of non-equilibrium, low-pressure plasmas containing boron and hydrogen. For this purpose, UV-VIS optical emission spectroscopy and infrared absorption spectroscopy with tunable diode lasers (TDLAS) have been applied. It is shown that information about neutral species and the gas temperature may be obtained by means of new and modified spectroscopic methods. A method for the determination of the absolute number density of boron atoms from measured relative intensities of the components of the boron resonance doublet (distorted by reabsorption) is proposed and tested for validity. The maximum of the density was found to be 3.8x10{sup 11} atoms cm{sup -3} at an admixture of diborane of about 2%. The gas temperature was determined from the intensity distributions in the rotational structure of the emission bands of BH and H{sub 2} and from Doppler broadening of the absorption line profiles of the BH molecule. It was observed that values of the gas temperature obtained from the rotational intensity distributions are in good agreement with those obtained from Doppler widths (T{sub g} = 700-1070 K). Based on measurements of the relative line intensities of atomic and molecular hydrogen and the gas temperature, and using a simple excitation-deactivation model, the density of molecular hydrogen was found to be about 40 times higher than the density of atomic hydrogen. It is shown that some absorption lines of boron hydrides (B{sub 2}H{sub 6}, BH{sub 3} and BH) detected by TDLAS may be used for plasma diagnostics.

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

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Kjell-Tore

    1996-08-01

    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.

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

    OpenAIRE

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

    2015-01-01

    The mechanisms involved in enzymatic hydride transfer have been studied for years, but questions remain due, in part, to the difficulty of probing the effects of protein motion and hydrogen tunneling. In this study, we use transition path sampling (TPS) with normal mode centroid molecular dynamics (CMD) to calculate the barrier to hydride transfer in yeast alcohol dehydrogenase (YADH) and human heart lactate dehydrogenase (LDH). Calculation of the work applied to the hydride allowed for obser...

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

    Science.gov (United States)

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

    2014-12-15

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

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

    Directory of Open Access Journals (Sweden)

    Borislav Bogdanović

    2009-01-01

    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.

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

    Science.gov (United States)

    Felderhoff, Michael; Bogdanović, Borislav

    2009-01-01

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

  19. Neutral binuclear rare-earth metal complexes with four μ₂-bridging hydrides.

    Science.gov (United States)

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

    2015-03-25

    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.

  20. 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

    1998-05-01

    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)

  1. 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)

    2010-01-31

    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.

  2. 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)

    2015-02-07

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

  3. Reversible metal-hydride phase transformation in epitaxial films.

    Science.gov (United States)

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

    2015-03-11

    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.

  4. Structural isotope effects in metal hydrides and deuterides.

    Science.gov (United States)

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

    2010-03-07

    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.

  5. 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: marcello.baricco@unito.it

    2014-12-05

    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.

  6. Gas chromatographic separation of hydrogen isotopes using metal hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Aldridge, F.T.

    1984-05-09

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

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

    DEFF Research Database (Denmark)

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

    2016-01-01

    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....

  8. Photoelectron spectroscopic study of carbon aluminum hydride cluster anions

    Science.gov (United States)

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

    2016-10-01

    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.

  9. METHOD OF MAKING DELTA ZIRCONIUM HYDRIDE MONOLITHIC MODERATOR PIECES

    Science.gov (United States)

    Vetrano, J.B.

    1962-01-23

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

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

    OpenAIRE

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

    2016-01-01

    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...

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

    Directory of Open Access Journals (Sweden)

    Jun-qin Wang

    2015-01-01

    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.

  12. Boron-Based (Nano-Materials: Fundamentals and Applications

    Directory of Open Access Journals (Sweden)

    Umit B. Demirci

    2016-09-01

    Full Text Available The boron (Z = 5 element is unique. Boron-based (nano-materials are equally unique. Accordingly, the present special issue is dedicated to crystalline boron-based (nano-materials and gathers a series of nine review and research articles dealing with different boron-based compounds. Boranes, borohydrides, polyhedral boranes and carboranes, boronate anions/ligands, boron nitride (hexagonal structure, and elemental boron are considered. Importantly, large sections are dedicated to fundamentals, with a special focus on crystal structures. The application potentials are widely discussed on the basis of the materials’ physical and chemical properties. It stands out that crystalline boron-based (nano-materials have many technological opportunities in fields such as energy storage, gas sorption (depollution, medicine, and optical and electronic devices. The present special issue is further evidence of the wealth of boron science, especially in terms of crystalline (nano-materials.

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

    Science.gov (United States)

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

    2015-01-01

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

  14. 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)

    2008-07-15

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

  15. Modellization of Metal Hydride Canister for Hydrogen Storage

    Directory of Open Access Journals (Sweden)

    Rocio Maceiras

    2015-06-01

    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

  16. Investigation of long term stability in metal hydrides

    Science.gov (United States)

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

    1991-01-01

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

  17. Performance study of a hydrogen powered metal hydride actuator

    Science.gov (United States)

    Mainul Hossain Bhuiya, Md; Kim, Kwang J.

    2016-04-01

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

  18. Catalytic Asymmetric Synthesis of Phosphine Boronates

    NARCIS (Netherlands)

    Hornillos, Valentin; Vila, Carlos; Otten, Edwin; Feringa, Ben L.

    2015-01-01

    The first catalytic enantioselective synthesis of ambiphilic phosphine boronate esters is presented. The asymmetric boration of ,-unsaturated phosphine oxides catalyzed by a copper bisphosphine complex affords optically active organoboronate esters that bear a vicinal phosphine oxide group in good y

  19. Boron-Filled Hybrid Carbon Nanotubes

    Science.gov (United States)

    Patel, Rajen B.; Chou, Tsengming; Kanwal, Alokik; Apigo, David J.; Lefebvre, Joseph; Owens, Frank; Iqbal, Zafar

    2016-07-01

    A unique nanoheterostructure, a boron-filled hybrid carbon nanotube (BHCNT), has been synthesized using a one-step chemical vapor deposition process. The BHCNTs can be considered to be a novel form of boron carbide consisting of boron doped, distorted multiwalled carbon nanotubes (MWCNTs) encapsulating boron nanowires. These MWCNTs were found to be insulating in spite of their graphitic layered outer structures. While conventional MWCNTs have great axial strength, they have weak radial compressive strength, and do not bond well to one another or to other materials. In contrast, BHCNTs are shown to be up to 31% stiffer and 233% stronger than conventional MWCNTs in radial compression and have excellent mechanical properties at elevated temperatures. The corrugated surface of BHCNTs enables them to bond easily to themselves and other materials, in contrast to carbon nanotubes (CNTs). BHCNTs can, therefore, be used to make nanocomposites, nanopaper sheets, and bundles that are stronger than those made with CNTs.

  20. Boron-10 loaded inorganic shielding material

    Science.gov (United States)

    Baker, S. I.; Ryskiewicz, R. S.

    1972-01-01

    Shielding material containing Boron 10 and gadoliunium for neutron absorption has been developed to reduce interference from low energy neutrons in measurement of fission neutron spectrum using Li-6 fast neutron spectrometer.

  1. Spectromicroscopy in Boron Neutron Capture Therapy Research

    Science.gov (United States)

    Gilbert, Benjamin; Redondo, Jose; Andres, Roger; Suda, Takashi; Neumann, Michael; Steen, Steffi; Gabel, Detlef; Mercanti, Delio; Ciotti, Teresa; Perfetti, Paolo; Margaritondo, Giorgio; de Stasio, Gelsomina

    1998-03-01

    The MEPHISTO synchrotron imaging spectromicroscope can analyse ashed cells or tissue sections to reveal the microdistribution of trace elements. MEPHISTO performs core level x-ray absorption spectroscopy with synchrotron radiation, and uses an electron optics system to provide magnified photoelectron images. An application of the MEPHISTO spectromicroscope is in boron neutron capture therapy (BNCT). BNCT is a binary cancer therapy that will selectively destroy cancer cells provided that compounds containing a boron isotope are selectively accumulated in tumor tissue. Important factors for the success of BNCT include the ability to target every cancer cell, and the distribution of boron inside the cell. To investigate the boron distribution in tissue, sections of human glioblastoma containing a BNCT compound, and stained with nickel against a protein found in the nuclei of proliferating (cancer) cells, were studied with MEPHISTO.

  2. Boron-Filled Hybrid Carbon Nanotubes

    Science.gov (United States)

    Patel, Rajen B.; Chou, Tsengming; Kanwal, Alokik; Apigo, David J.; Lefebvre, Joseph; Owens, Frank; Iqbal, Zafar

    2016-01-01

    A unique nanoheterostructure, a boron-filled hybrid carbon nanotube (BHCNT), has been synthesized using a one-step chemical vapor deposition process. The BHCNTs can be considered to be a novel form of boron carbide consisting of boron doped, distorted multiwalled carbon nanotubes (MWCNTs) encapsulating boron nanowires. These MWCNTs were found to be insulating in spite of their graphitic layered outer structures. While conventional MWCNTs have great axial strength, they have weak radial compressive strength, and do not bond well to one another or to other materials. In contrast, BHCNTs are shown to be up to 31% stiffer and 233% stronger than conventional MWCNTs in radial compression and have excellent mechanical properties at elevated temperatures. The corrugated surface of BHCNTs enables them to bond easily to themselves and other materials, in contrast to carbon nanotubes (CNTs). BHCNTs can, therefore, be used to make nanocomposites, nanopaper sheets, and bundles that are stronger than those made with CNTs. PMID:27460526

  3. Combustion Behavior of Free Boron Slurry Droplets,

    Science.gov (United States)

    2014-09-26

    weak disruptive behavior while pure JP-1t burn quiescently, except for a flash extinction which occurs at the termination of combustion. The...I AD-R158 628 COMBUSTION BEHAVIOR OF FREE BORON SLURRY DROPLETS(U) i/i I PRINCETON UNIV NJ DEPT OF MECHANICAL AND AEROSPACE ENINEERIN., F TAKAHASHI...COMBUSTION BEHAVIOR OF FREE BORON SLURRY DROPLETS TAM by F. Takahashi, F.L. Dryer, and F.A. Williams Department of M~echanical and keyosase Engineering

  4. Innovative boron nitride-doped propellants

    Institute of Scientific and Technical Information of China (English)

    Thelma MANNING; Henry GRAU; Paul MATTER; Michael BEACHY; Christopher HOLT; Samuel SOPOK; Richard FIELD; Kenneth KLINGAMAN; Michael FAIR; John BOLOGNINI; Robin CROWNOVER; Carlton P. ADAM; Viral PANCHAL; Eugene ROZUMOV

    2016-01-01

    The U.S. military has a need for more powerful propellants with balanced/stoichiometric amounts of fuel and oxidants. However, balanced and more powerful propellants lead to accelerated gun barrel erosion and markedly shortened useful barrel life. Boron nitride (BN) is an interesting potential additive for propellants that could reduce gun wear effects in advanced propellants (US patent pending 2015-026P). Hexagonal boron nitride is a good lubricant that can provide wear resistance and lower flame temperatures for gun barrels. Further, boron can dope steel, which drastically improves its strength and wear resistance, and can block the formation of softer carbides. A scalable synthesis method for producing boron nitride nano-particles that can be readily dispersed into propellants has been developed. Even dispersion of the nano-particles in a double-base propellant has been demonstrated using a solvent-based processing approach. Stability of a composite propellant with the BN additive was verified. In this paper, results from propellant testing of boron nitride nano-composite propellants are presented, including closed bomb and wear and erosion testing. Detailed characterization of the erosion tester substrates before and after firing was obtained by electron microscopy, inductively coupled plasma and x-ray photoelectron spectroscopy. This promising boron nitride additive shows the ability to improve gun wear and erosion resistance without any destabilizing effects to the propellant. Potential applications could include less erosive propellants in propellant ammunition for large, medium and small diameter fire arms.

  5. Innovative boron nitride-doped propellants

    Directory of Open Access Journals (Sweden)

    Thelma Manning

    2016-04-01

    Full Text Available The U.S. military has a need for more powerful propellants with balanced/stoichiometric amounts of fuel and oxidants. However, balanced and more powerful propellants lead to accelerated gun barrel erosion and markedly shortened useful barrel life. Boron nitride (BN is an interesting potential additive for propellants that could reduce gun wear effects in advanced propellants (US patent pending 2015-026P. Hexagonal boron nitride is a good lubricant that can provide wear resistance and lower flame temperatures for gun barrels. Further, boron can dope steel, which drastically improves its strength and wear resistance, and can block the formation of softer carbides. A scalable synthesis method for producing boron nitride nano-particles that can be readily dispersed into propellants has been developed. Even dispersion of the nano-particles in a double-base propellant has been demonstrated using a solvent-based processing approach. Stability of a composite propellant with the BN additive was verified. In this paper, results from propellant testing of boron nitride nano-composite propellants are presented, including closed bomb and wear and erosion testing. Detailed characterization of the erosion tester substrates before and after firing was obtained by electron microscopy, inductively coupled plasma and x-ray photoelectron spectroscopy. This promising boron nitride additive shows the ability to improve gun wear and erosion resistance without any destabilizing effects to the propellant. Potential applications could include less erosive propellants in propellant ammunition for large, medium and small diameter fire arms.

  6. Reactivity patterns of transition metal hydrides and alkyls

    Energy Technology Data Exchange (ETDEWEB)

    Jones, W.D. II

    1979-05-01

    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.

  7. Hydrogen storage and evolution catalysed by metal hydride complexes.

    Science.gov (United States)

    Fukuzumi, Shunichi; Suenobu, Tomoyoshi

    2013-01-07

    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.

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

    Science.gov (United States)

    Zhu, Ye; Fan, Yubo; Burgess, Kevin

    2010-05-05

    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. Proceedings of workshop on 'boron science and boron neutron capture therapy'

    Energy Technology Data Exchange (ETDEWEB)

    Kitaoka, Y. [ed.

    1998-12-01

    This volume contains the abstracts and programs of the 8th (1996), 9th (1997) and 10th (1998) of the workshop on 'the Boron Science and Boron Neutron Capture Therapy' and the recent progress reports especially subscribed. The 11 of the presented papers are indexed individually. (J.P.N.)

  10. The effect of boron deficiency on gene expression and boron compartmentalization in sugarbeet

    Science.gov (United States)

    NIP5, BOR1, NIP6, and WRKY6 genes were investigated for their role in boron deficiency in sugar beet, each with a proposed role in boron use in model plant species. All genes showed evidence of polymorphism in fragment size and gene expression in the target genomic DNA and cDNA libraries, with no co...

  11. Junctions between a boron nitride nanotube and a boron nitride sheet.

    Science.gov (United States)

    Baowan, Duangkamon; Cox, Barry J; Hill, James M

    2008-02-20

    For future nanoelectromechanical signalling devices, it is vital to understand how to connect various nanostructures. Since boron nitride nanostructures are believed to be good electronic materials, in this paper we elucidate the classification of defect geometries for combining boron nitride structures. Specifically, we determine possible joining structures between a boron nitride nanotube and a flat sheet of hexagonal boron nitride. Firstly, we determine the appropriate defect configurations on which the tube can be connected, given that the energetically favourable rings for boron nitride structures are rings with an even number of sides. A new formula E = 6+2J relating the number of edges E and the number of joining positions J is established for each defect, and the number of possible distinct defects is related to the so-called necklace and bracelet problems of combinatorial theory. Two least squares approaches, which involve variation in bond length and variation in bond angle, are employed to determine the perpendicular connection of both zigzag and armchair boron nitride nanotubes with a boron nitride sheet. Here, three boron nitride tubes, which are (3, 3), (6, 0) and (9, 0) tubes, are joined with the sheet, and Euler's theorem is used to verify geometrically that the connected structures are sound, and their relationship with the bonded potential energy function approach is discussed. For zigzag tubes (n,0), it is proved that such connections investigated here are possible only for n divisible by 3.

  12. Spectromicroscopy of boron for the optimization of boron neutron capture therapy (BNCT) for cancer

    Science.gov (United States)

    Gilbert, B.; Redondo, J.; Baudat, P.-A.; Lorusso, G. F.; Andres, R.; Van Meir, E. G.; Brunet, J.-F.; Hamou, M.-F.; Suda, T.; Mercanti, Delio; Ciotti, M. Teresa; Droubay, T. C.; Tonner, B. P.; Perfetti, P.; Margaritondo, M.; DeStasio, Gelsomina

    1998-10-01

    We used synchrotron spectromicroscopy to study the microscopic distribution of boron in rat brain tumour and healthy tissue in the field of boron neutron capture therapy (BNCT). The success of this experimental cancer therapy depends on the preferential uptake of ? in tumour cells after injection of a boron compound (in our case ?, or BSH). With the Mephisto (microscope à emission de photoélectrons par illumination synchrotronique de type onduleur) spectromicroscope, high-magnification imaging and chemical analysis was performed on brain tissue sections from a rat carrying an implanted brain tumour and the results were compared with inductively coupled plasma-atomic emission spectroscopy (ICP-AES) detection of boron in bulk tissue. Boron was found to have been taken up more favourably by regions of tumour rather than healthy tissue, but the resulting boron distribution in the tumour was inhomogeneous. The results demonstrate that Mephisto can perform microchemical analysis of tissue sections, detect and localize the presence of boron with submicron spatial resolution. The application of this technique to boron in brain tissue can therefore be used to evaluate the current efforts to optimize BNC therapy.

  13. Spectromicroscopy of boron for the optimization of boron neutron capture therapy (BNCT) for cancer

    Energy Technology Data Exchange (ETDEWEB)

    Gilbert, B.; Redondo, J.; Baudat, P-A. [Institut de Physique Appliquee, Ecole Polytechnique Federale, Lausanne (Switzerland)] [and others

    1998-10-07

    We used synchrotron spectromicroscopy to study the microscopic distribution of boron in rat brain tumour and healthy tissue in the field of boron neutron capture therapy (BNCT). The success of this experimental cancer therapy depends on the preferential uptake of {sup 10}B in tumour cells after injection of a boron compound (in our case B{sub 12}H{sub 11}SH, or BSH). With the Mephisto (microscope a emission de photoelectrons par illumination synchrotronique de type onduleur) spectromicroscope, high-magnification imaging and chemical analysis was performed on brain tissue sections from a rat carrying an implanted brain tumour and the results were compared with inductively coupled plasma-atomic emission spectroscopy (ICP-AES) detection of boron in bulk tissue. Boron was found to have been taken up more favourably by regions of tumour rather than healthy tissue, but the resulting boron distribution in the tumour was inhomogeneous. The results demonstrate that Mephisto can perform microchemical analysis of tissue sections, detect and localize the presence of boron with submicron spatial resolution. The application of this technique to boron in brain tissue can therefore be used to evaluate the current efforts to optimize BNC therapy. (author)

  14. 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)

    2016-01-31

    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.

  15. Ceramic silicon-boron-carbon fibers from organic silicon-boron-polymers

    Science.gov (United States)

    Riccitiello, Salvatore R. (Inventor); Hsu, Ming-Ta S. (Inventor); Chen, Timothy S. (Inventor)

    1993-01-01

    Novel high strength ceramic fibers derived from boron, silicon, and carbon organic precursor polymers are discussed. The ceramic fibers are thermally stable up to and beyond 1200 C in air. The method of preparation of the boron-silicon-carbon fibers from a low oxygen content organosilicon boron precursor polymer of the general formula Si(R2)BR(sup 1) includes melt-spinning, crosslinking, and pyrolysis. Specifically, the crosslinked (or cured) precursor organic polymer fibers do not melt or deform during pyrolysis to form the silicon-boron-carbon ceramic fiber. These novel silicon-boron-carbon ceramic fibers are useful in high temperature applications because they retain tensile and other properties up to 1200 C, from 1200 to 1300 C, and in some cases higher than 1300 C.

  16. A quantitative comparison between electrocoagulation and chemical coagulation for boron removal from boron-containing solution

    Energy Technology Data Exchange (ETDEWEB)

    Yilmaz, A. Erdem [Atatuerk University, Faculty of Engineering, Department of Environmental Engineering, 25240 Erzurum (Turkey)], E-mail: aerdemy@atauni.edu.tr; Boncukcuoglu, Recep [Atatuerk University, Faculty of Engineering, Department of Environmental Engineering, 25240 Erzurum (Turkey); Kocakerim, M. Muhtar [Atatuerk University, Faculty of Engineering, Department of Chemical Engineering, 25240 Erzurum (Turkey)

    2007-10-22

    This paper provides a quantitative comparison of electrocoagulation and chemical coagulation approaches based on boron removal. Electrocoagulation process delivers the coagulant in situ as the sacrificial anode corrodes, due to a fixed current density, while the simultaneous evolution of hydrogen at the cathode allows for pollutant removal by flotation. By comparison, conventional chemical coagulation typically adds a salt of the coagulant, with settling providing the primary pollutant removal path. Chemical coagulation was carried out via jar tests using aluminum chloride. Comparison was done with the same amount of coagulant between electrocoagulation and chemical coagulation processes. Boron removal obtained was higher with electrocoagulation process. In addition, it was seen that chemical coagulation has any effect for boron removal from boron-containing solution. At optimum conditions (e.g. pH 8.0 and aluminum dose of 7.45 g/L), boron removal efficiencies for electrocoagulation and chemical coagulation were 94.0% and 24.0%, respectively.

  17. A quantitative comparison between electrocoagulation and chemical coagulation for boron removal from boron-containing solution.

    Science.gov (United States)

    Yilmaz, A Erdem; Boncukcuoğlu, Recep; Kocakerim, M Muhtar

    2007-10-22

    This paper provides a quantitative comparison of electrocoagulation and chemical coagulation approaches based on boron removal. Electrocoagulation process delivers the coagulant in situ as the sacrificial anode corrodes, due to a fixed current density, while the simultaneous evolution of hydrogen at the cathode allows for pollutant removal by flotation. By comparison, conventional chemical coagulation typically adds a salt of the coagulant, with settling providing the primary pollutant removal path. Chemical coagulation was carried out via jar tests using aluminum chloride. Comparison was done with the same amount of coagulant between electrocoagulation and chemical coagulation processes. Boron removal obtained was higher with electrocoagulation process. In addition, it was seen that chemical coagulation has any effect for boron removal from boron-containing solution. At optimum conditions (e.g. pH 8.0 and aluminum dose of 7.45 g/L), boron removal efficiencies for electrocoagulation and chemical coagulation were 94.0% and 24.0%, respectively.

  18. DABO Boronates: Stable Heterocyclic Boronic Acid Complexes for Use in Suzuki-Miyaura Cross-Coupling Reactions.

    Science.gov (United States)

    Reilly, Maureen K; Rychnovsky, Scott D

    2011-10-01

    Diethanolamine complexed heterocyclic boronic acids (DABO boronates) are air-stable reagents that can be used directly in Suzuki-Miyaura reactions in the presence of water or a protic co-solvent. Interestingly, heterocyclic DABO boronates can be stored for extended periods of time at room temperature with no noticeable degradation, unlike their boronic acid counterparts. Heterocyclic DABO boronates constitute an operationally simple and efficient alternative to other boronic acid derivatives as coupling partners in palladium catalyzed cross-coupling reactions under standard Suzuki-Miyaura conditions.

  19. 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.)

    1994-05-01

    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.

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

    OpenAIRE

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

    2014-01-01

    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.

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

    Science.gov (United States)

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

    2016-11-01

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

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

    Directory of Open Access Journals (Sweden)

    Haileyesus Tsige-Tamirat

    2015-01-01

    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.

  3. 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

    1992-01-01

    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

  4. First-principles study of superabundant vacancy formation in metal hydrides.

    Science.gov (United States)

    Zhang, Changjun; Alavi, Ali

    2005-07-13

    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.

  5. Complex transition metal hydrides: linear correlation of countercation electronegativity versus T-D bond lengths.

    Science.gov (United States)

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

    2015-06-30

    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.

  6. Boron remobilization at low boron supply in olive (Olea europaea) in relation to leaf and phloem mannitol concentrations.

    Science.gov (United States)

    Liakopoulos, Georgios; Stavrianakou, Sotiria; Filippou, Manolis; Fasseas, Costas; Tsadilas, Christos; Drossopoulos, Ioannis; Karabourniotis, George

    2005-02-01

    For plant species in which a considerable portion of the photoassimilates are translocated in the phloem as sugar alcohols, boron is freely translocated from mature organs to growing tissues. However, the effects of decreased plant boron status on boron remobilization are poorly understood. We conducted a growth chamber experiment (CE) and a field experiment (FE) to study the effects of low boron supply on boron remobilization in olive (Olea europaea L.), a species that transports considerable amounts of mannitol in the phloem. For the CE, several physiological parameters were compared between control (B+) and boron-deficient olive plants (B-) during the expansion of new leaves. Boron remobilization was assessed by measuring boron content of selected leaves at the beginning and at the end of the CE. As expected, boron was remobilized from mature leaves to young leaves of B+ plants; however, considerable boron remobilization was also observed in B- plants, suggesting a mechanism whereby olive can sustain a minimum boron supply for growth of new tissues despite an insufficient external boron supply. Boron deficiency caused inhibition of new growth but had no effect on photosynthetic capacity per unit leaf surface area of young and mature leaves, thereby altering the carbon utilization pattern and resulting in carbon allocation to structures within the source leaves and accumulation of soluble carbohydrates. Specifically, in mature B- leaves in the CE and in B- leaves in the FE, mannitol concentration on a leaf water content basis increased by 48 and 27% respectively, compared with controls. Carbon export ability (assessed by both phloem anatomy and phloem exudate composition of FE leaves) was enhanced at low boron supply. We conclude that, at low boron supply, increased mannitol concentrations maintain boron remobilization from source leaves to boron-demanding sink leaves.

  7. Studies on Separation Process and Production Technology of Boron Isotope

    Directory of Open Access Journals (Sweden)

    LI Jian-ping

    2014-02-01

    Full Text Available The boron isotopes separation test was performed by chemical exchange reaction in the benzene ether -three boron fluoride system, which resulted to the boron isotopic enrichment of -10 in the liquid phase, the boron isotopic enrichment of -11 in the gas phase. After then, boron isotope separation trial production has been finished. In this process, the exchange column and complex tower normal operating parameters and the complex tower technology have been obtained, the problems of material distillation purification is solved, boron isotopes feasibility with PTFE packing enrichment is verified in an exchange column. Also, effect of operating pressure, flow and other parameters on boron -10 isotopic enrichment experiments and the effect and properties of the PTFE packing have been investigated in the existing system. All the results are very useful for the industrialization of the boron isotopes separation system.

  8. Method of manufacture of atomically thin boron nitride

    Science.gov (United States)

    Zettl, Alexander K

    2013-08-06

    The present invention provides a method of fabricating at least one single layer hexagonal boron nitride (h-BN). In an exemplary embodiment, the method includes (1) suspending at least one multilayer boron nitride across a gap of a support structure and (2) performing a reactive ion etch upon the multilayer boron nitride to produce the single layer hexagonal boron nitride suspended across the gap of the support structure. The present invention also provides a method of fabricating single layer hexagonal boron nitride. In an exemplary embodiment, the method includes (1) providing multilayer boron nitride suspended across a gap of a support structure and (2) performing a reactive ion etch upon the multilayer boron nitride to produce the single layer hexagonal boron nitride suspended across the gap of the support structure.

  9. 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

    2016-01-01

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Gruen, D.M.

    1981-01-01

    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)

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

    KAUST Repository

    Werghi, Baraa

    2016-09-26

    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.

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

    Science.gov (United States)

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

    2015-04-02

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

  13. Assessing nanoparticle size effects on metal hydride thermodynamics using the Wulff construction.

    Science.gov (United States)

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

    2009-05-20

    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.

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

    Science.gov (United States)

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

    2016-08-10

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

  15. 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

    2000-09-01

    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.

  16. Characterization of boron carbide with an electron microprobe

    Science.gov (United States)

    Matteudi, G.; Ruste, J.

    1983-01-01

    Within the framework of a study of heterogeneous materials (Matteudi et al., 1971: Matteudi and Verchery, 1972) thin deposits of boron carbide were characterized. Experiments using an electronic probe microanalyzer to analyze solid boron carbide or boron carbide in the form of thick deposits are described. Quantitative results on boron and carbon are very close to those obtained when applying the Monte Carlo-type correction calculations.

  17. Boron Removal in Seawater Reverse Osmosis System

    KAUST Repository

    Rahmawati, Karina

    2011-07-01

    Reverse osmosis successfully proves to remove more than 99% of solute in seawater, providing fresh water supply with satisfied quality. Due to some operational constraints, however, some trace contaminants removal, such as boron, cannot be achieved in one pass system. The stringent criterion for boron from World Health Organization (WHO) and Saudi Arabia local standard (0.5 mg/l) is hardly fulfilled by single pass sea water reverse osmosis (SWRO) plants. Some design processes have been proposed to deal with boron removal, but they are not economically efficient due to high energy and chemical consumption. The objective of this study was to study boron removal by different reverse osmosis membranes in two pH conditions, with and without antiscalant addition. Thus, it was expected to observe the possibility of operating single pass system and necessity to operate two pass system using low energy membrane. Five membrane samples were obtained from two different manufacturers. Three types of feed water pH were used, pH 8, pH 10, and pH 10 with antiscalant addition. Experiment was conducted in parallel to compare membrane performance from two manufacturers. Filtration was run with fully recycle mode for three days. Sample of permeate and feed were taken every 12 hours, and analyzed for their boron and TDS concentration. Membrane samples were also tested for their surface charge. The results showed that boron rejection increases as the feed pH increases. This was caused by dissociation of boric acid to negatively charged borate ion and more negatively charged membrane surface at elevated pH which enhance boron rejection. This study found that single pass reverse osmosis system, with and without elevating the pH, may not be possible to be applied because of two reasons. First, permeate quality in term of boron, does not fulfill WHO and local Saudi Arabia regulations. Second, severe scaling occurs due to operation in alkaline condition, since Ca and Mg concentration are

  18. Boron-Loaded Silicone Rubber Scintillators

    CERN Document Server

    Bell, Z W; Maya, L; Sloop, F V J

    2003-01-01

    Silicone rubber received attention as an alternative to polyvinyltoluene in applications in which the scintillator is exposed to high doses because of the increased resistance of the rubber to the formation of blue-absorbing color centers. Work by Bowen, et al., and Harmon, et al., demonstrated their properties under gamma/x-ray irradiation, and Bell, et al. have shown their response to thermal neutrons. This last work, however, provided an example of a silicone in which both the boron and the scintillator were contained in the rubber as solutes, a formulation which led to the precipitation of solids and sublimation of the boron component. In the present work we describe a scintillator in which the boron is chemically bonded to the siloxane and so avoids the problem of precipitation and loss of boron to sublimation. Material containing up to 18% boron, by weight, was prepared, mounted on photomultipliers, and exposed to both neutron and gamma fluxes. Pulse height spectra showing the neutron and photon respons...

  19. First gaseous boronization during pulsed discharge cleaning

    Science.gov (United States)

    Ko, J.; Den Hartog, D. J.; Goetz, J. A.; Weix, P. J.; Limbach, S. T.

    2013-01-01

    The first successful gaseous boronization during a pulsed discharge is reported. Sublimation of o-carborane (C2B10H12) combined with pulsed discharge plasmas with a repetition rate of 1 Hz is used to produce a hard boron-containing coating for reversed field pinch (RFP) plasmas in the Madison Symmetric Torus. X-ray photoelectron spectroscopy with Ar ion beam etching for silicon coupons installed at the plasma boundary shows about 60% boron concentration in the deposited layer. Both profilometer and scanning electron microscope analyses of the silicon coupons imply a strong toroidally non-uniform deposition depending on the location of the o-carborane injection. The layer thickness ranges from 50 to 300 nm. Ellipsometry calibrated with the profilometer results yields a refractive index of 2.2-2.3 for the films. The high refractive index implies that the coating is hard and has a well-ordered morphology. A reduction in wall recycling has consistently been observed after all boronization sessions. Comparison of the X-ray spectra in standard RFP plasmas before and after boronization indicates a slight decrease in the effective ionic charge.

  20. First gaseous boronization during pulsed discharge cleaning

    Energy Technology Data Exchange (ETDEWEB)

    Ko, J., E-mail: jinseok@nfri.re.kr [Department of Physics, University of Wisconsin, Madison, WI (United States); Den Hartog, D.J.; Goetz, J.A.; Weix, P.J.; Limbach, S.T. [Department of Physics, University of Wisconsin, Madison, WI (United States)

    2013-01-15

    The first successful gaseous boronization during a pulsed discharge is reported. Sublimation of o-carborane (C{sub 2}B{sub 10}H{sub 12}) combined with pulsed discharge plasmas with a repetition rate of 1 Hz is used to produce a hard boron-containing coating for reversed field pinch (RFP) plasmas in the Madison Symmetric Torus. X-ray photoelectron spectroscopy with Ar ion beam etching for silicon coupons installed at the plasma boundary shows about 60% boron concentration in the deposited layer. Both profilometer and scanning electron microscope analyses of the silicon coupons imply a strong toroidally non-uniform deposition depending on the location of the o-carborane injection. The layer thickness ranges from 50 to 300 nm. Ellipsometry calibrated with the profilometer results yields a refractive index of 2.2-2.3 for the films. The high refractive index implies that the coating is hard and has a well-ordered morphology. A reduction in wall recycling has consistently been observed after all boronization sessions. Comparison of the X-ray spectra in standard RFP plasmas before and after boronization indicates a slight decrease in the effective ionic charge.

  1. Axial residual stresses in boron fibers

    Science.gov (United States)

    Behrendt, D. R.

    1978-01-01

    A method of measuring axial residual stresses in boron fibers is presented. With this method, the axial residual stress distribution as a function of radius is determined from the fiber surface to the core including the average residual stress in the core. Such measurements on boron on tungsten (B/W) fibers show that the residual stresses for 102, 142, 203, and 366 micron diam fibers are similar, being compressive at the surface and changing monotonically to a region of tensile stress within the boron. At approximately 25% of the original radius, the stress reaches a maximum tensile stress of about 860 MN sq m and then decreases to a compressive stress near the tungsten boride core. Data are presented for 203-micron diam B/W fibers that show annealing above 900 C reduces the residual stresses. A comparison between 102-micron diam B/W and boron on carbon (B/C) show that the residual stresses are similar in the outer regions of the fibers, but that large differences near and in the core are observed. Fracture of boron fibers is discussed.

  2. Update on human health effects of boron.

    Science.gov (United States)

    Nielsen, Forrest H

    2014-10-01

    In vitro, animal, and human experiments have shown that boron is a bioactive element in nutritional amounts that beneficially affects bone growth and central nervous system function, alleviates arthritic symptoms, facilitates hormone action and is associated with a reduced risk for some types of cancer. The diverse effects of boron suggest that it influences the formation and/or activity of substances that are involved in numerous biochemical processes. Several findings suggest that this influence is through the formation of boroesters in biomolecules containing cis-hydroxyl groups. These biomolecules include those that contain ribose (e.g., S-adenosylmethionine, diadenosine phosphates, and nicotinamide adenine dinucleotide). In addition, boron may form boroester complexes with phosphoinositides, glycoproteins, and glycolipids that affect cell membrane integrity and function. Both animal and human data indicate that an intake of less than 1.0mg/day inhibits the health benefits of boron. Dietary surveys indicate such an intake is not rare. Thus, increasing boron intake by consuming a diet rich in fruits, vegetables, nuts and pulses should be recognized as a reasonable dietary recommendation to enhance health and well-being.

  3. 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

    1995-09-01

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

  4. ALUMINUM HYDRIDE: A REVERSIBLE MATERIAL FOR HYDROGEN STORAGE

    Energy Technology Data Exchange (ETDEWEB)

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

    2009-01-09

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

  5. INFLUENCE OF FINE-DISPERSED BORON CARBIDE ON THE STRUCTURE AND CHARACTERISTICS OF IRON-BORON ALLOY

    Directory of Open Access Journals (Sweden)

    N. F. Nevar

    2010-01-01

    Full Text Available The influence of boron carbide as fine-dispersed material input into the melt on structure morphology, founding, technological and exploitation characterisstics of cast iron-boron material is shown.

  6. Dietary boron: possible roles in human and animal physiology

    Science.gov (United States)

    Boron is a bioactive element of low molecular weight. Since discovery of the first boron biomolecule, boromycin, in 1967, several other similar biomolecules are now well-characterized. Most recently described was a bacterial cell-to-cell communication signal that requires boron, autoinducer-II. Boro...

  7. Electrochemical process and production of novel complex hydrides

    Science.gov (United States)

    Zidan, Ragaiy

    2013-06-25

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

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

    CERN Document Server

    Bezrukov, L

    2014-01-01

    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.

  9. Modeling of Gallium Nitride Hydride Vapor Phase Epitaxy

    Science.gov (United States)

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

    1997-01-01

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

  10. Alkyl and Hydride-Olefin Complexes of Niobocene

    NARCIS (Netherlands)

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

    1980-01-01

    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

  11. 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

    2006-01-01

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1983-01-01

    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 (..delta.. 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.

  13. Bipolar Nickel-Metal Hydride Battery Development Project

    Science.gov (United States)

    Cole, John H.

    1999-01-01

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

  14. Research in Nickel/Metal Hydride Batteries 2016

    Directory of Open Access Journals (Sweden)

    Kwo-Hsiung Young

    2016-10-01

    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.

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

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    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.

  16. Probing Field Emission from Boron Carbide Nanowires

    Institute of Scientific and Technical Information of China (English)

    TIAN Ji-Fa; GAO Hong-Jun; BAO Li-Hong; WANG Xing-Jun; HUI Chao; LIU Fei; LI Chen; SHEN Cheng-Min; WANG Zong-Li; GU Chang-Zhi

    2008-01-01

    High density boron carbide nanowires are grown by an improved carbon thermal reduction technique. Transmission electron microscopy and electron energy lose spectroscopy of the sample show that the synthesized nanowires are B4 C with good crystallization. The field emission measurement for an individual boron nanowire is performed by using a Pt tip installed in the focused ion beam system. A field emission current with enhancement factor of 106 is observed and the evolution process during emission is also carefully studied. Furthermore, a two-step field emission with stable emission current density is found from the high-density nanowire film. Our results together suggest that boron carbide nanowires are promising candidates for electron emission nanodevices.

  17. Depth resolved investigations of boron implanted silicon

    Energy Technology Data Exchange (ETDEWEB)

    Sztucki, M. E-mail: michael@sztucki.de; Metzger, T.H.; Milita, S.; Berberich, F.; Schell, N.; Rouviere, J.L.; Patel, J

    2003-01-01

    We have studied the depth distribution and structure of defects in boron implanted silicon (0 0 1). Silicon wafers were implanted with a boron dose of 6x10{sup 15} ions/cm{sup -2} at 32 keV and went through different annealing treatments. Using diffuse X-ray scattering at grazing incidence and exit angles we are able to distinguish between different kinds of defects (point defect clusters and extrinsic stacking faults on {l_brace}1 1 1{r_brace} planes) and to determine their depth distribution as a function of the thermal budget. Cross-section transmission electron microscopy was used to gain complementary information. In addition we have determined the strain distribution caused by the boron implantation as a function of depth from rocking curve measurements.

  18. Oxygen radical functionalization of boron nitride nanosheets.

    Science.gov (United States)

    Sainsbury, Toby; Satti, Amro; May, Peter; Wang, Zhiming; McGovern, Ignatius; Gun'ko, Yurii K; Coleman, Jonathan

    2012-11-14

    The covalent chemical functionalization of exfoliated hexagonal boron-nitride nanosheets (BNNSs) is achieved by the solution-phase oxygen radical functionalization of boron atoms in the h-BN lattice. This involves a two-step procedure to initially covalently graft alkoxy groups to boron atoms and the subsequent hydrolytic defunctionalization of the groups to yield hydroxyl-functionalized BNNSs (OH-BNNSs). Characterization of the functionalized-BNNSs using HR-TEM, Raman, UV-vis, FTIR, NMR, and TGA was performed to investigate both the structure of the BNNSs and the covalent functionalization methodology. OH-BNNSs were used to prepare polymer nanocomposites and their mechanical properties analyzed. The influence of the functional groups grafted to the surface of the BNNSs is investigated by demonstrating the impact on mechanical properties of both noncovalent and covalent bonding at the interface between the nanofiller and polymer matrixes.

  19. Lateral gas phase diffusion length of boron atoms over Si/B surfaces during CVD of pure boron layers

    NARCIS (Netherlands)

    Mohammadi, V.; Nihtianov, S.

    2016-01-01

    The lateral gas phase diffusion length of boron atoms, LB, along silicon and boron surfaces during chemical vapor deposition(CVD) using diborane (B2H6) is reported. The value of LB is critical for reliable and uniform boron layer coverage. The presented information was obtained experimentally and co

  20. Boron removal by electrocoagulation and recovery.

    Science.gov (United States)

    Isa, Mohamed Hasnain; Ezechi, Ezerie Henry; Ahmed, Zubair; Magram, Saleh Faraj; Kutty, Shamsul Rahman Mohamed

    2014-03-15

    This work investigated the removal of boron from wastewater and its recovery by electrocoagulation and hydrothermal mineralization methods respectively. The experimental design was developed using Box-Behnken Model. An initial study was performed based on four preselected variables (pH, current density, concentration and time) using synthetic wastewater. Response surface methodology (RSM) was used to evaluate the effect of process variables and their interaction on boron removal. The optimum conditions were obtained as pH 6.3, current density 17.4 mA/cm(2), and time 89 min. At these applied optimum conditions, 99.7% boron removal from an initial concentration of 10.4 mg/L was achieved. The process was effectively optimized by RSM with a desirability value of 1.0. The results showed that boron removal efficiency enhanced with increase in current density and treatment time. Removal efficiency also increased when pH was increased from 4 to 7 and subsequently decreased at pH 10. Adsorption kinetics study revealed that the reaction followed pseudo second order kinetic model; evidenced by high correlation and goodness of fit. Thermodynamics study showed that mechanism of boron adsorption was chemisorption and the reaction was endothermic in nature. Furthermore, the adsorption process was spontaneous as indicated by negative values of the adsorption free energy. Treatment of real produced water using electrocoagulation resulted in 98% boron removal. The hydrothermal mineralization study showed that borate minerals (Inyoite, Takadaite and Nifontovite) can be recovered as recyclable precipitate from electrocoagulation flocs of produced water.

  1. 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)

    2007-07-01

    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.)

  2. Ultrahard nanotwinned cubic boron nitride.

    Science.gov (United States)

    Tian, Yongjun; Xu, Bo; Yu, Dongli; Ma, Yanming; Wang, Yanbin; Jiang, Yingbing; Hu, Wentao; Tang, Chengchun; Gao, Yufei; Luo, Kun; Zhao, Zhisheng; Wang, Li-Min; Wen, Bin; He, Julong; Liu, Zhongyuan

    2013-01-17

    Cubic boron nitride (cBN) is a well known superhard material that has a wide range of industrial applications. Nanostructuring of cBN is an effective way to improve its hardness by virtue of the Hall-Petch effect--the tendency for hardness to increase with decreasing grain size. Polycrystalline cBN materials are often synthesized by using the martensitic transformation of a graphite-like BN precursor, in which high pressures and temperatures lead to puckering of the BN layers. Such approaches have led to synthetic polycrystalline cBN having grain sizes as small as ∼14 nm (refs 1, 2, 4, 5). Here we report the formation of cBN with a nanostructure dominated by fine twin domains of average thickness ∼3.8 nm. This nanotwinned cBN was synthesized from specially prepared BN precursor nanoparticles possessing onion-like nested structures with intrinsically puckered BN layers and numerous stacking faults. The resulting nanotwinned cBN bulk samples are optically transparent with a striking combination of physical properties: an extremely high Vickers hardness (exceeding 100 GPa, the optimal hardness of synthetic diamond), a high oxidization temperature (∼1,294 °C) and a large fracture toughness (>12 MPa m(1/2), well beyond the toughness of commercial cemented tungsten carbide, ∼10 MPa m(1/2)). We show that hardening of cBN is continuous with decreasing twin thickness down to the smallest sizes investigated, contrasting with the expected reverse Hall-Petch effect below a critical grain size or the twin thickness of ∼10-15 nm found in metals and alloys.

  3. Boron nitride nanotubes for spintronics.

    Science.gov (United States)

    Dhungana, Kamal B; Pati, Ranjit

    2014-09-22

    With the end of Moore's law in sight, researchers are in search of an alternative approach to manipulate information. Spintronics or spin-based electronics, which uses the spin state of electrons to store, process and communicate information, offers exciting opportunities to sustain the current growth in the information industry. For example, the discovery of the giant magneto resistance (GMR) effect, which provides the foundation behind modern high density data storage devices, is an important success story of spintronics; GMR-based sensors have wide applications, ranging from automotive industry to biology. In recent years, with the tremendous progress in nanotechnology, spintronics has crossed the boundary of conventional, all metallic, solid state multi-layered structures to reach a new frontier, where nanostructures provide a pathway for the spin-carriers. Different materials such as organic and inorganic nanostructures are explored for possible applications in spintronics. In this short review, we focus on the boron nitride nanotube (BNNT), which has recently been explored for possible applications in spintronics. Unlike many organic materials, BNNTs offer higher thermal stability and higher resistance to oxidation. It has been reported that the metal-free fluorinated BNNT exhibits long range ferromagnetic spin ordering, which is stable at a temperature much higher than room temperature. Due to their large band gap, BNNTs are also explored as a tunnel magneto resistance device. In addition, the F-BNNT has recently been predicted as an ideal spin-filter. The purpose of this review is to highlight these recent progresses so that a concerted effort by both experimentalists and theorists can be carried out in the future to realize the true potential of BNNT-based spintronics.

  4. Dietary boron: progress in establishing essential roles in human physiology.

    Science.gov (United States)

    Hunt, Curtiss D

    2012-06-01

    This review summarizes the progress made in establishing essential roles for boron in human physiology and assesses that progress in view of criteria for essentiality of elements. The evidence to date suggests that humans and at least some higher animals may use boron to support normal biological functions. These include roles in calcium metabolism, bone growth and maintenance, insulin metabolism, and completion of the life cycle. The biochemical mechanisms responsible for these effects are poorly understood but the nature of boron biochemistry suggests further characterization of the cell signaling molecules capable of complexing with boron. Such characterization may provide insights into the biochemical function(s) of boron in humans.

  5. Nuclear quadrupole resonance of boron in borate glasses

    Science.gov (United States)

    Gravina, Samuel J.; Bray, Phillip J.

    A continuous wave nuclear quadrupole resonance spectrometer that has a high sensitivity even at low frequencies has been built. Boron and aluminum NQR has been detected in the region 200 kHz to 1.4 MHz. For the first time, boron NQR has been detected in a glass. The NQR spectrum of pure B 20 3 glass is consistent with 85 ± 2% of the boron atoms belonging to boroxol rings. In sodium borate glasses, the number of borons in boroxol rings decreases with increasing sodium content, until when sodium oxide comprises 20 mol% of the glass less than 2% of the borons are in boroxol rings.

  6. Interstellar chemistry of nitrogen hydrides in dark clouds

    CERN Document Server

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

    2013-01-01

    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 ...

  7. 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)

    1996-12-31

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

  8. Thermodynamic properties of the cubic plutonium hydride solid solution

    Energy Technology Data Exchange (ETDEWEB)

    Haschke, J M

    1981-12-01

    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, ..delta..H/sup 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 ..delta..H/sup 0/ /sub f/ and ..delta..S/sup 0/ /sub f/ values for PuH/sub x/(s) and PuD/sub x/(s).

  9. 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

    2011-01-01

    @@ 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.

  10. 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

    2008-01-01

    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.

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

    CERN Document Server

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

    2003-01-01

    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)

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

    Directory of Open Access Journals (Sweden)

    Ljiljana Matović

    2012-08-01

    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.

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

    CERN Document Server

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

    2012-01-01

    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...

  14. ACCEPTABILITY ENVELOPE FOR METAL HYDRIDE-BASED HYDROGEN STORAGE SYSTEMS

    Energy Technology Data Exchange (ETDEWEB)

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

    2011-07-18

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Stout, R.B.

    1989-10-01

    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.

  16. [Investigation of enhancing effect for hydride generation-atomic fluorescence of transition metal elements].

    Science.gov (United States)

    Sun, Han-Wen; Suo, Ran

    2008-11-01

    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.

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

    Science.gov (United States)

    Maity, Ayan; Teets, Thomas S

    2016-08-10

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

  18. Hollow boron nitride nanospheres as boron reservoir for prostate cancer treatment

    Science.gov (United States)

    Li, Xia; Wang, Xiupeng; Zhang, Jun; Hanagata, Nobutaka; Wang, Xuebin; Weng, Qunhong; Ito, Atsuo; Bando, Yoshio; Golberg, Dmitri

    2017-01-01

    High global incidence of prostate cancer has led to a focus on prevention and treatment strategies to reduce the impact of this disease in public health. Boron compounds are increasingly recognized as preventative and chemotherapeutic agents. However, systemic administration of soluble boron compounds is hampered by their short half-life and low effectiveness. Here we report on hollow boron nitride (BN) spheres with controlled crystallinity and boron release that decrease cell viability and increase prostate cancer cell apoptosis. In vivo experiments on subcutaneous tumour mouse models treated with BN spheres demonstrated significant suppression of tumour growth. An orthotopic tumour growth model was also utilized and further confirmed the in vivo anti-cancer efficacy of BN spheres. Moreover, the administration of hollow BN spheres with paclitaxel leads to synergetic effects in the suppression of tumour growth. The work demonstrates that hollow BN spheres may function as a new agent for prostate cancer treatment.

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

    Science.gov (United States)

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

    2014-04-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-04-01

    At the completion of the fuel drying process, used fuel Zry4 cladding typically exhibits a significant population of δ-hydride inclusions. These inclusions are in the form of small platelets that are generally oriented both circumferentially and radially within the cladding material. There is concern that radially-oriented hydride inclusions may weaken the cladding material and lead to issues during used fuel storage and transportation processes. A high fidelity model of the mechanical behavior of hydrides has utility in both designing fuel cladding to be more resistant to this hydride-induced weakening and also in suggesting modifications to drying, storage, and transport operations to reduce the impact of hydride formation and/or the avoidance of loading scenarios that could overly stress the radial inclusions. We develop a mechanical model for the Zry4-hydride system that, given a particular morphology of hydride inclusions, allows the calculation of the response of the hydrided cladding under various loading scenarios. The model treats the Zry4 matrix material as 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.

  1. Relationship Between Soil Boron Adsorption Kinetics and Rape Plant Boron Response

    Institute of Scientific and Technical Information of China (English)

    ZHUDUANWEI; PIMEIMEI; 等

    1997-01-01

    The boron adsorption kinetic experiment in soil by means a flow displacement technique showed that the kinetic data could be described with some mathematic equations.The average values of the coorealtion coefficeint for zero-order,first-order,parabolic diffusion ,Elovich,power function and eponential equations were 0.957,0.982,0.981,0.984,0.981 and 0.902 ,respectively,The correlation between adsorbed boron or its other expression form and time were the highest for first-order ,parabloic diffusion Elovich,and pwer function equations,the second for the zeroorder equation,and the tlowest for the exponential equation.The parabloic diffusion equation fitted well the expermiental results,with the least standard error among the six kinetic equation,showing that the monvemetn of boron from soil solution to soil colloid surface may be controlled by boron diffusion speed.The boron content of rape seedling obtained from soil cultvation was correlated with the rate constants of the kinetic equations.The constants of first-order ,parabloic diffusion,and exponential equaitions were significanlty correlated with the boron content of the crop of NPK treatment at a 95% probaility level ,with correation coeffecients being 0.686,0.691 and 0.64 and 0.641,respectively.In the case of zero-order equation,it Was significant at 99% probability level(r=0.736),These results showed that the adsorption kinetic constants of soil boron were closely related with the rape plant response to boron.

  2. Boron carbide coating deposition on tungsten substrates from atomic fluxes of boron and carbon

    Science.gov (United States)

    Sadovskiy, Y.; Begrambekov, L.; Ayrapetov, A.; Gretskaya, I.; Grunin, A.; Dyachenko, M.; Puntakov, N.

    2016-09-01

    A device used for both coating deposition and material testing is presented in the paper. By using lock chambers, sputtering targets are easily exchanged with sample holder thus allowing testing of deposited samples with high power density electron or ion beams. Boron carbide coatings were deposited on tungsten samples. Methods of increasing coating adhesion are described in the paper. 2 μm boron carbide coatings sustained 450 heating cycles from 100 to 900 C. Ion beam tests have shown satisfactory results.

  3. Multi-dimensional boron transport modeling in subchannel approach: Part II. Validation of CTF boron tracking model and adding boron precipitation model

    Energy Technology Data Exchange (ETDEWEB)

    Ozdemir, Ozkan Emre, E-mail: ozdemir@psu.edu; Avramova, Maria N., E-mail: mna109@psu.edu

    2014-10-15

    Highlights: • Validation of implemented multi-dimensional subchannel boron transport model. • Extension of boron transport model to entrained droplets. • Implementation of boron precipitation model. • Testing of the boron precipitation model under transient condition. - Abstract: The risk of small-break loss of coolant accident (SB-LOCA) and other reactivity initiated transients caused by boron dilution in the light water reactors (LWRs), and the complications of tracking the soluble boron concentration experimentally inside the primary coolant have stimulated the interest in computational studies for accurate boron tracking simulations in nuclear reactors. In Part I of this study, the development and implementation of a multi-dimensional boron transport model with modified Godunov scheme based on a subchannel approach within the COBRA-TF (CTF) thermal-hydraulic code was presented. The modified Godunov scheme approach with a physical diffusion term was determined to provide the most accurate and precise solution. Current paper extends these conclusions and presents the model validation studies against experimental data from the Rossendorf coolant mixing model (ROCOM) test facility. In addition, the importance of the two-phase flow characteristics in modeling boron transient are emphasized, especially during long-term cooling period after the loss of coolant accident (LOCA) condition in pressurized water reactors (PWRs). The CTF capabilities of boron transport modeling are further improved based on the three-field representation of the two-phase flow utilized in the code. The boron transport within entrained droplets is modeled, and a model for predicting the boron precipitation under transient conditions is developed and tested. It is aimed to extend the applicability of CTF to reactor transient simulations, and particularly to a large-break loss of coolant accident (LB-LOCA) analysis.

  4. The investigation of physical conditions of boron uptake region in proton boron fusion therapy (PBFT)

    Science.gov (United States)

    Jung, Joo-Young; Yoon, Do-Kun; Lee, Heui Chang; Lu, Bo; Suh, Tae Suk

    2016-09-01

    We conducted a quantitative study to identify the effectiveness of proton boron fusion therapy (PBFT). Four simulation scenarios were designed to investigate the escalation in total dose with the proton boron reaction using a Monte Carlo n-particle extended (MCNPX 2.6.0) simulation. The peak integrated dose was obtained for three different physical conditions (i.e., boron uptake region (BUR) thickness, BUR location, and boron concentration) with differing proton beam energy (60-90 MeV). We found that the peak integrated dose was increased by up to 96.62% compared to the pristine proton Bragg-peak. For the synergetic effect to take place with 60-70 MeV proton beam, the BUR had to be at least 0.3 cm thick while spanning the Bragg-peak. Similarly to the thickness, the BUR location needed to be within 0.3 cm from the Bragg-peak when the thickness was maintained at 0.9 cm. An effective proton boron reaction required the boron concentration to be equal to or greater than 14.4 mg/g. These results demonstrate the impact of various physical and beam conditions of the PBFT, which are critical environmental factors for the treatment planning. We envision that this study will advance our understanding of the PBFT, which can be an invaluable treatment method for maximizing the potential of proton therapy.

  5. Synthesis and evaluation of boron folates for Boron-Neutron-Capture-Therapy (BNCT)

    Energy Technology Data Exchange (ETDEWEB)

    Kettenbach, Kathrin; Schieferstein, Hanno; Grunewald, Catrin; Hampel, Gabriele; Schuetz, Christian L. [Mainz Univ. (Germany). Inst. of Nuclear Chemistry; Iffland, Dorothee; Bings, Nicolas H. [Mainz Univ. (Germany). Inst. of Inorganic Chemistry and Analytical Chemistry; Reffert, Laura M. [Hannover Medical School (Germany). Radiopharmaceutical Chemistry; Ross, Tobias L. [Mainz Univ. (Germany). Inst. of Nuclear Chemistry; Hannover Medical School (Germany). Radiopharmaceutical Chemistry

    2015-07-01

    Boron neutron capture therapy (BNCT) employs {sup 10}B-pharmaceuticals administered for the treatment of malignancies, and subsequently irradiated with thermal neutrons. So far, clinical established pharmaceuticals like boron phenylalanine (BPA) or sodium boron mercaptate (BSH) use imperfect (BPA) or passive (BSH) targeting for accumulation at target sites. Due to the need of a selective transportation of boron drugs into cancer cells and sparing healthy tissues, we combined the BNCT approach with the specific and effective folate receptor (FR) targeting concept. The FR is overexpressed on many human carcinomas and provides a selective and specific target for molecular imaging as well as for tumor therapy. We synthesized and characterized a carborane-folate as well as a BSH-folate to study their in vitro characteristics and their potential as new boron-carriers for BNCT. Uptake studies were carried out using human KB cells showing a significant increase of the boron content in cells and demonstrating the successful combination of active FR-targeting and BNCT.

  6. Rapid mass-spectrometric determination of boron isotopic distribution in boron carbide.

    Science.gov (United States)

    Rein, J E; Abernathey, R M

    1972-07-01

    Boron isotopic ratios are measured in boron carbide by thermionic ionization mass spectrometry with no prior chemical separation. A powder blend of boron carbide and sodium hydroxide is prepared, a small portion is transferred to a tantalum filament, the filament is heated to produce sodium borate, and the filament is transferred to the mass spectrometer where the(11)B/(10)B ratio is measured, using the Na(2)BO(2)(+) ion. Variables investigated for their effect on preferential volatilization of (10)B include the sodium hydroxide-boron carbide ratio and the temperature and duration of filament heating. A series of boron carbide pellets containing natural boron, of the type proposed for the control rods of the Fast Flux Test Facility reactor, were analysed with an apparently unbiased result of 4.0560 for the (11)B/(10)B ratio (standard deviation 0.0087). The pellets contained over 3% metal impurities typically found in this material. Time of analysis is 45 min per sample, with one analyst.

  7. The investigation of physical conditions of boron uptake region in proton boron fusion therapy (PBFT

    Directory of Open Access Journals (Sweden)

    Joo-Young Jung

    2016-09-01

    Full Text Available We conducted a quantitative study to identify the effectiveness of proton boron fusion therapy (PBFT. Four simulation scenarios were designed to investigate the escalation in total dose with the proton boron reaction using a Monte Carlo n-particle extended (MCNPX 2.6.0 simulation. The peak integrated dose was obtained for three different physical conditions (i.e., boron uptake region (BUR thickness, BUR location, and boron concentration with differing proton beam energy (60–90 MeV. We found that the peak integrated dose was increased by up to 96.62% compared to the pristine proton Bragg-peak. For the synergetic effect to take place with 60–70 MeV proton beam, the BUR had to be at least 0.3 cm thick while spanning the Bragg-peak. Similarly to the thickness, the BUR location needed to be within 0.3 cm from the Bragg-peak when the thickness was maintained at 0.9 cm. An effective proton boron reaction required the boron concentration to be equal to or greater than 14.4 mg/g. These results demonstrate the impact of various physical and beam conditions of the PBFT, which are critical environmental factors for the treatment planning. We envision that this study will advance our understanding of the PBFT, which can be an invaluable treatment method for maximizing the potential of proton therapy.

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

    Science.gov (United States)

    Gales, C.; Perroud, P.

    1981-01-01

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

  9. 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.

    2010-07-01

    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)

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

    DEFF Research Database (Denmark)

    Mazzucco, Andrea; Rokni, Masoud

    2015-01-01

    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...

  11. 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

    2004-01-01

    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.

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

    Science.gov (United States)

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

    2014-12-01

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

  13. Substitution reactions at boron atoms in metallacarboranes

    Energy Technology Data Exchange (ETDEWEB)

    Bregadze, Vladimir I; Timofeev, Sergei V; Sivaev, Igor B; Lobanova, Irina A [A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, Moscow (Russian Federation)

    2004-05-31

    Data on substitution reactions at boron atoms in 10-12-vertex metallacarboranes, which are of fundamental and applied significance, are generalised. The possible mechanisms of substitution reactions and the influence of the metal fragment on substitution positions in the polyhedron are discussed.

  14. Catalytic Asymmetric Synthesis of Phosphine Boronates.

    Science.gov (United States)

    Hornillos, Valentín; Vila, Carlos; Otten, Edwin; Feringa, Ben L

    2015-06-26

    The first catalytic enantioselective synthesis of ambiphilic phosphine boronate esters is presented. The asymmetric boration of α,β-unsaturated phosphine oxides catalyzed by a copper bisphosphine complex affords optically active organoboronate esters that bear a vicinal phosphine oxide group in good yields and high enantiomeric excess. The synthetic utility of the products is demonstrated through stereospecific transformations into multifunctional optically active compounds.

  15. NEW ADVANCES IN BORON SOIL CHEMISTRY

    Science.gov (United States)

    Boron is an essential plant micronutrient for which the range between deficiency and toxicity is narrower than for any other nutrient element. Plants respond directly to the amount of B in soil solution and only indirectly to the amount of B adsorbed on soil particle surfaces. ...

  16. New insight into pecan boron nutrition

    Science.gov (United States)

    Alternate bearing by individual pecan [Carya illinoinensis (Wangenh.) K. Koch] trees is problematic for nut producers and processors. There are many unknowns regarding alternate bearing physiology, such as the relationship between boron and fruit set, nutmeat quality, and kernel maladies. Evidence...

  17. Trapping and Sympathetic Cooling of Boron Ions

    CERN Document Server

    Rugango, Rene; Shu, Gang; Brown, Kenneth R

    2016-01-01

    We demonstrate the trapping and sympathetic cooling of B$^{+}$ ions in a Coulomb crystal of laser-cooled Ca$^{+}$, We non-destructively confirm the presence of the both B$^+$ isotopes by resonant excitation of the secular motion. The B$^{+}$ ions are loaded by ablation of boron and the secular excitation spectrum also reveals features consistent with ions of the form B$_{n}^{+}$.

  18. Compaction of amorphous iron–boron powder

    DEFF Research Database (Denmark)

    Hendriksen, Peter Vang; Mørup, Steen; Koch, Christian;

    1993-01-01

    report on attempts to compact amorphous iron–boron particles prepared by chemical reduction of Fe(II) ions in aqueous solution by NaBH4 (Ref. 2). The particles prepared in this way are pyrophoric, but can be passivated. The small particle size (10–100 nm), characteristic of this preparation technique...

  19. NEW ADVANCES IN BORON SOIL CHEMISTRY - Paper

    Science.gov (United States)

    Boron is an essential plant micronutrient for which the range between deficiency and toxicity is narrower than for any other nutrient element. Plants respond directly to the amount of B in soil solution and only indirectly to the amount of B adsorbed on soil particle surfaces. ...

  20. Boron carbide morphology changing under purification

    Science.gov (United States)

    Rahmatullin, I. A.; Sivkov, A. A.

    2015-10-01

    Boron carbide synthesized by using coaxial magnetoplasma accelerator with graphite electrodes was purified by two different ways. XRD-investigations showed content changing and respectively powder purification. Moreover TEM-investigations demonstrated morphology changing of product under purification that was discussed in the work.

  1. Pechmann Reaction Promoted by Boron Trifluoride Dihydrate

    Directory of Open Access Journals (Sweden)

    J. Mezger

    2005-08-01

    Full Text Available The Pechmann reaction of substituted phenols 1a-e with methyl acetoacetate (2 can be activated by boron trifluoride dihydrate (3 to give the corresponding 4-methyl- coumarin derivatives 4a-e in excellent yield (98-99 %.

  2. Investigating the Boron Requirement of Plants.

    Science.gov (United States)

    Bohnsack, Charles W.

    1991-01-01

    This article describes a simple and rapid method for using summer squash to investigate born deficiency in plants. Author asserts that students are likely to feel challenged by laboratory exercises and projects that focus on the role boron plays in plant growth because it is an unresolved problem in biology. (PR)

  3. Powdered Hexagonal Boron Nitride Reducing Nanoscale Wear

    Science.gov (United States)

    Chkhartishvili, L.; Matcharashvili, T.; Esiava, R.; Tsagareishvili, O.; Gabunia, D.; Margiev, B.; Gachechiladze, A.

    2013-05-01

    A morphology model is suggested for nano-powdered hexagonal boron nitride that can serve as an effective solid additive to liquid lubricants. It allows to estimate the specific surface, that is a hard-to-measure parameter, based on average size of powder particles. The model can be used also to control nanoscale wear processes.

  4. Boron nanoparticles inhibit turnour growth by boron neutron capture therapy in the murine B16-OVA model

    DEFF Research Database (Denmark)

    Petersen, Mikkel Steen; Petersen, Charlotte Christie; Agger, Ralf;

    2008-01-01

    Background: Boron neutron capture therapy usually relies on soluble, rather than particulate, boron compounds. This study evaluated the use of a novel boron nanoparticle for boron neutron capture therapy. Materials and Methods: Two hundred and fifty thousand B16-OVA tumour cells, pre......-incubated with boron nanoparticles for 12 hours, were injected subcutaneously into C57BL16J mice. The tumour sites were exposed to different doses of neutron radiation one, four, or eight days after tumour cell inoculation. Results: When the tumour site was irradiated with thermal neutrons one day after injection......, tumour growth was delayed and the treated mice survived longer than untreated controls (median survival time 20 days (N=8) compared with 10 days (N=7) for untreated mice). Conclusion: Boron nanoparticles significantly delay the growth of an aggressive B16-OVA tumour in vivo by boron neutron capture...

  5. BCM6: New Generation of Boron Meter

    Energy Technology Data Exchange (ETDEWEB)

    Pirat, P. [Rolls-Royce Civil Nuclear SAS (France)

    2010-07-01

    Full text of publication follows: Rolls-Royce has developed a new generation of boron meter, based on more than 30 years of experience. The Rolls-Royce BCM6 boron meter provides Nuclear Power Plant (NPP) operators with the boron concentration of the primary circuit. The meter provides continuous and safe measurements with no manual sampling and no human contact. In this paper, technical features, advantages and customer benefits of the use of the new generation of Rolls-Royce BCM6 boron meter will be detailed. Values and associated alarms are provides over different media: 4-20 mA outputs, relays, displays in the main control room and in the chemical lab, and digital links. A special alarm avoids unexpected homogeneous dilution of the primary circuit, which is a critical operational parameter. The Rolls-Royce BCM6 boron meter is fully configurable over a set of parameters allowing adaptation to customer needs. It has a differential capability, thus eliminating neutronic noise and keeping measurements accurate, even in the case of fuel clad rupture. Measurements are accurate, reliable, and have a quick response time. Equipment meets state-of-the-art qualification requests. Designed in 2008, the BCM6 boron meter is the newest equipment of Rolls-Royce boron meters product line. It has been chosen to equip the French EPR NPP and complies with the state-of-the-art of the technology. Rolls-Royce has more than 30 years of experience in Instrumentation and Controls with more than 75 NPP units operating worldwide. All of this experience return has been put in this new generation of equipment to provide the customer with the best operation. About Rolls-Royce Rolls-Royce is a global business providing integrated power systems for use on land, at sea and in the air. The Group has a balanced business portfolio with leading market positions. Rolls-Royce has a broad range of civil nuclear expertise, including work related to licensing and safety reviews, engineering design

  6. 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)

    2014-05-31

    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

  7. Hydride-induced embrittlement of Zircaloy-4 cladding under plane-strain tension

    Science.gov (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

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

    Science.gov (United States)

    Vícha, Jan; Marek, Radek; Straka, Michal

    2016-10-17

    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.

  9. Synthesis and characterization of ammonium phosphate fertilizers with boron

    Directory of Open Access Journals (Sweden)

    ANGELA MAGDA

    2010-07-01

    Full Text Available The concentration of boron, an essential micronutrient for plants, presents a narrow range between deficiency and toxicity. In order to provide the boron requirement for plants, and to avoid toxicity problems, boron compounds are mixed with basic fertilizers. Sodium borate pentahydrate was used as a boron source. Ammonium orthophosphates fertilizers with boron were prepared by neutralizing phosphoric acid with ammonia and addition of variable amounts of sodium tetraborate pentahydrate to the reaction mixture at a NH3:H3PO4 molar ratio of 1.5. The fertilizers obtained with boron contents ranging from 0.05 to 1 % (w/w were fully characterized by chemical analysis, thermal analysis, X-ray diffraction and infrared spectrophotometry. The studies showed that up to 500 °C, regardless of the boron content, no significant changes concerning thermal stability and nutritional properties occurred. Above 500 °C, an increase of thermal stability with an increase of the boron content was observed. X-Ray diffraction of a heat-treated sample containing 5 % (w/w boron indicated the appearance of boron orthophosphate, BPO4, as a new crystalline phase, and the disappearance of the previous structures above 500 °C, which explains the increase in thermal stability.

  10. Higher boron rejection with a new TFC forward osmosis membrane

    KAUST Repository

    Valladares Linares, Rodrigo

    2014-07-17

    Due to the stringent limits for boron in drinking and irrigation water, water treatment facilities have to incur additional treatment to remove boron down to a safe concentration. Forward osmosis (FO) is a membrane technology that may reduce the energy required to remove boron present in seawater. In direct FO desalination hybrid systems, fresh water is recovered from seawater using a recoverable draw solution, FO membranes are expected to show high boron rejection. This study focuses on determining the boron rejection capabilities of a new generation thin-film composite (TFC) FO membrane compared to a first generation cellulose triacetate (CTA) FO membrane. The effects of water permeate flux, membrane structure, draw solute charge, and reverse solute flux on boron rejection were determined. For TFC and CTA FO membranes, experiments showed that when similar operating conditions are applied (e.g. membrane type and draw solute type) boron rejection decreases with increase in permeate flux. Reverse draw solute flux and membrane fouling have no significant impact on boron rejection. Compared to the first generation CTA FO membrane operated at the same conditions, the TFC FO membrane showed a 40% higher boron rejection capability and a 20% higher water flux. This demonstrates the potential for boron removal for new generation TFC FO membranes. © 2014 © 2014 Balaban Desalination Publications. All rights reserved.

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

    Energy Technology Data Exchange (ETDEWEB)

    Keller, Jay O.; Klebanoff, Leonard E.

    2012-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    Lototskyy, M., E-mail: mlototskyy@uwc.ac.za [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)

    2015-10-05

    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.

  13. Crystal structure of the superconducting phase of sulfur hydride

    Science.gov (United States)

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

    2016-09-01

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

  14. Modelling zirconium hydrides using the special quasirandom structure approach

    KAUST Repository

    Wang, Hao

    2013-01-01

    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.

  15. 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)

    2015-09-18

    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.

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

    Directory of Open Access Journals (Sweden)

    Singh Vishvanath P.

    2016-01-01

    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.

  17. Capture of liquid hydrogen boiloff with metal hydride absorbers

    Science.gov (United States)

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

    1984-01-01

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

  18. Ovonic nickel metal hydride batteries for space applications

    Science.gov (United States)

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

    1993-01-01

    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.

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

    Science.gov (United States)

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

    2016-04-01

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

  20. Hydrogen generation from magnesium hydride by using organic acid

    Science.gov (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.

  1. 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

    2002-01-01

    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...

  2. A micromechanical model for predicting hydride embrittlement in nuclear fuel cladding material

    Science.gov (United States)

    Chan, K. S.

    1996-01-01

    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.

  3. 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

    2005-01-01

    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.

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

    Science.gov (United States)

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

    2015-06-01

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

  5. Compensation Effect in the Hydrogenation/Dehydrogenation Kinetics of Metal Hydrides

    DEFF Research Database (Denmark)

    Andreasen, A.; Vegge, T.; Pedersen, Allan Schrøder

    2005-01-01

    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....

  6. Concerted proton-coupled electron transfer from a metal-hydride complex.

    Science.gov (United States)

    Bourrez, Marc; Steinmetz, Romain; Ott, Sascha; Gloaguen, Frederic; Hammarström, Leif

    2014-02-01

    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.

  7. The diastereoselective synthesis of octahedral cationic iridium hydride complexes with a stereogenic metal centre.

    Science.gov (United States)

    Humbert, Nicolas; Mazet, Clément

    2016-08-23

    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.

  8. Speculations on the existence of hydride ions in proton conducting oxides

    DEFF Research Database (Denmark)

    Poulsen, F.W.

    2001-01-01

    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...

  9. Solar conversion by concentration cells with hydrides. [Based on hydrogen pressure differential across protonic conductor

    Energy Technology Data Exchange (ETDEWEB)

    Salomon, R.E.

    1979-01-01

    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)

  10. Kinetics of hydrogen desorption from MgH2 and AlH3 hydrides

    Science.gov (United States)

    Terent'ev, P. B.; Gerasimov, E. G.; Mushnikov, N. V.; Uimin, M. A.; Maikov, V. V.; Gaviko, V. S.; Golovatenko, V. D.

    2015-12-01

    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.

  11. Direct hydride derivatization of methyl- and ethylmercury chlorides in aqueous solution with KBH4

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    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).

  12. Boron Arsenide and Boron Phosphide for High Temperature and Luminescent Devices. [semiconductor devices - crystal growth/crystal structure

    Science.gov (United States)

    Chu, T. L.

    1975-01-01

    The crystal growth of boron arsenide and boron phosphide in the form of bulk crystals and epitaxial layers on suitable substrates is discussed. The physical, chemical, and electrical properties of the crystals and epitaxial layers are examined. Bulk crystals of boron arsenide were prepared by the chemical transport technique, and their carrier concentration and Hall mobility were measured. The growth of boron arsenide crystals from high temperature solutions was attempted without success. Bulk crystals of boron phosphide were also prepared by chemical transport and solution growth techniques. Techniques required for the fabrication of boron phosphide devices such as junction shaping, diffusion, and contact formation were investigated. Alloying techniques were developed for the formation of low-resistance ohmic contacts to boron phosphide. Four types of boron phosphide devices were fabricated: (1) metal-insulator-boron phosphide structures, (2) Schottky barriers; (3) boron phosphide-silicon carbide heterojunctions; and (4) p-n homojunctions. Easily visible red electroluminescence was observed from both epitaxial and solution grown p-n junctions.

  13. Van Hove singularities of some icosahedral boron-rich solids by differential reflectivity spectra

    Science.gov (United States)

    Werheit, Helmut

    2015-09-01

    Differential reflectivity spectra of some icosahedral boron rich solids, β-rhombohedral boron, boron carbide and YB66-type crystals, were measured. The derivatives yield the van Hove singularities, which are compared with results obtained by other experimental methods.

  14. 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.

    2013-09-01

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

  15. 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

    1999-01-01

    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.

  16. On the chemistry of hydrides of N atoms and O$^+$ ions

    CERN Document Server

    Awad, Zainab; Williams, David A

    2016-01-01

    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.

  17. Brønsted-Lowry Acid Strength of Metal Hydride and Dihydrogen Complexes.

    Science.gov (United States)

    Morris, Robert H

    2016-08-10

    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.

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

    Science.gov (United States)

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

    2016-06-14

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

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

    Science.gov (United States)

    Rojdev, Kristina; Atwell, William

    2016-01-01

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

  20. 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

    2013-01-01

    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.

  1. Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs

    Science.gov (United States)

    Mannix, Andrew J.; Zhou, Xiang-Feng; Kiraly, Brian; Wood, Joshua D.; Alducin, Diego; Myers, Benjamin D.; Liu, Xiaolong; Fisher, Brandon L.; Santiago, Ulises; Guest, Jeffrey R.; Yacaman, Miguel Jose; Ponce, Arturo; Oganov, Artem R.; Hersam, Mark C.; Guisinger, Nathan P.

    2016-01-01

    At the atomic-cluster scale, pure boron is markedly similar to carbon, forming simple planar molecules and cage-like fullerenes.Theoretical studies predict that two-dimensional (2D) boron sheets will adopt an atomic configuration similar to that of boron atomic clusters. We synthesized atomically thin, crystalline 2D boron sheets (i.e., borophene) on silver surfaces under ultrahigh-vacuum conditions. Atomic-scale characterization, supported by theoretical calculations, revealed structures reminiscent of fused boron clusters with multiple scales of anisotropic, out-of-plane buckling. Unlike bulk boron allotropes, borophene shows metallic characteristics that are consistent with predictions of a highly anisotropic, 2D metal. PMID:26680195

  2. 11B nuclear magnetic resonance in boron-doped diamond

    Directory of Open Access Journals (Sweden)

    Miwa Murakami, Tadashi Shimizu, Masataka Tansho and Yoshihiko Takano

    2008-01-01

    Full Text Available This review summarizes recent results obtained by 11B solid-state nuclear magnetic resonance (NMR on boron-doped diamond, grown by the high-pressure high-temperature (HPHT or chemical vapor deposition techniques. Simple single-pulse experiments as well as advanced two-dimensional NMR experiments were applied to the boron sites in diamond. It is shown that magic-angle spinning at magnetic fields above 10 T is suitable for observation of high-resolution 11B spectra of boron-doped diamond. For boron-doped HPHT diamonds, the existence of the excess boron that does not contribute to electrical conductivity was confirmed and its 11B NMR signal was characterized. The point-defect structures (B+H complexes and -B-B-/-B-C-B- clusters, postulated previously for the excess boron, were discarded and graphite-like structures were assigned instead.

  3. Boron Rich Solids Sensors, Ultra High Temperature Ceramics, Thermoelectrics, Armor

    CERN Document Server

    Orlovskaya, Nina

    2011-01-01

    The objective of this book is to discuss the current status of research and development of boron-rich solids as sensors, ultra-high temperature ceramics, thermoelectrics, and armor. Novel biological and chemical sensors made of stiff and light-weight boron-rich solids are very exciting and efficient for applications in medical diagnoses, environmental surveillance and the detection of pathogen and biological/chemical terrorism agents. Ultra-high temperature ceramic composites exhibit excellent oxidation and corrosion resistance for hypersonic vehicle applications. Boron-rich solids are also promising candidates for high-temperature thermoelectric conversion. Armor is another very important application of boron-rich solids, since most of them exhibit very high hardness, which makes them perfect candidates with high resistance to ballistic impact. The following topical areas are presented: •boron-rich solids: science and technology; •synthesis and sintering strategies of boron rich solids; •microcantileve...

  4. Potential of using boric acid as a boron drug for boron neutron capture therapy for osteosarcoma

    Energy Technology Data Exchange (ETDEWEB)

    Hsu, C.F.; Lin, S.Y. [Institute of Nuclear Engineering and Science, National Tsing Hua University, Taiwan (China); Peir, J.J. [Nuclear Science and Technology Development Center, National Tsing Hua University, Taiwan (China); Liao, J.W. [Graduate Institute of Veterinary Pathobiology, National Chung Hsing University, Taiwan (China); Lin, Y.C. [Department of Veterinary Medicine, National Chung Hsing University, Taiwan (China); Chou, F.I., E-mail: fichou@mx.nthu.edu.tw [Institute of Nuclear Engineering and Science, National Tsing Hua University, Taiwan (China)] [Nuclear Science and Technology Development Center, National Tsing Hua University, Taiwan (China)

    2011-12-15

    Osteosarcoma is a malignant tumor commonly found in human and animals. The ability of boric acid (BA) to accumulate in osteosarcoma due to the mechanism of the bone formation of cancer cells would make boron neutron capture therapy (BNCT) an alternative therapy for osteosarcoma. This study evaluated the feasibility of using BA as the boron drug for BNCT of bone cancer. The cytotoxicity of BA to L929 cells exceeded that of UMR-106 cells. With 25 {mu}g {sup 10}B/mL medium of BA treatment, the boron concentration in UMR-106 cells was higher than that in L929 cells. The biodistribution and pharmacokinetics of BA in Sprague-Dawley (SD) rats were studied by administrating 25 mg {sup 10}B/kg body weight to SD rats. Blood boron level decreased rapidly within one hour after BA injection. Boron concentration in the long bone was 4-6 time higher than that of blood. Results of this study suggest that BA may be a potential drug for BNCT for osteosarcoma.

  5. A DFT based investigation into the electronic structure and properties of hydride rich rhodium clusters.

    Science.gov (United States)

    Brayshaw, Simon K; Green, Jennifer C; Hazari, Nilay; Weller, Andrew S

    2007-05-14

    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

  6. Application of Cycloaddition Reactions to the Syntheses of Novel Boron Compounds

    OpenAIRE

    Maguire, John A.; Hosmane, Narayan S; Yinghuai Zhu; Xiao Siwei

    2010-01-01

    This review covers the application of cycloaddition reactions in forming the boron-containing compounds such as symmetric star-shaped boron-enriched dendritic molecules, nano-structured boron materials and aromatic boronic esters. The resulting boron compounds are potentially important reagents for both materials science and medical applications such as in boron neutron capture therapy (BNCT) in cancer treatment and as drug delivery agents and synthetic intermediates for carbon-carbon cross-c...

  7. Synthesis of an orthorhombic high pressure boron phase

    Science.gov (United States)

    Zarechnaya, Evgeniya Yu; Dubrovinsky, Leonid; Dubrovinskaia, Natalia; Miyajima, Nobuyoshi; Filinchuk, Yaroslav; Chernyshov, Dmitry; Dmitriev, Vladimir

    2008-12-01

    The densest boron phase (2.52 g cm-3) was produced as a result of the synthesis under pressures above 9 GPa and temperatures up to ~1800 °C. The x-ray powder diffraction pattern and the Raman spectra of the new material do not correspond to those of any known boron phases. A new high-pressure high-temperature boron phase was defined to have an orthorhombic symmetry (Pnnm (No. 58)) and 28 atoms per unit cell.

  8. Successive Boronizing and Austempering for GGG-40 Grade Ductile Iron

    Institute of Scientific and Technical Information of China (English)

    Murat Baydogan; Seckin Izzet Akray

    2009-01-01

    Boronizing and austempering were successively applied to a GGG-40 grade ductile iron in order to combine the advantages of both process in a single treatment. This new procedure formed a 30 μm thick boride layer on the surface with subsurface matrix structure consisted of acicular ferrite and retained austenite. Reciprocating wear tests showed that successive boronizing and austempering exhibited considerably higher wear resistance than conventional boronizing having a subsurface matrix structure consisting of ferrite and pearlite.

  9. Measurement of boron isotopes by negative thermal ionization mass spectrometry

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    The isobaric interference for boron isotopic measurement by negative thermal ionization mass spectrometry (NTIMS) has been studied. The result shows that the CNO- is not only from the organic material, but also from nitrate in loading reagent in NTIMS. Monitoring the mass 43 ion intensity and 43/42 ratio of blank are also necessary for the boron isotopic measurement by NTIMS, other than is only boron content.

  10. Apparatus for the production of boron nitride nanotubes

    Science.gov (United States)

    Smith, Michael W; Jordan, Kevin

    2014-06-17

    An apparatus for the large scale production of boron nitride nanotubes comprising; a pressure chamber containing; a continuously fed boron containing target; a source of thermal energy preferably a focused laser beam; a cooled condenser; a source of pressurized nitrogen gas; and a mechanism for extracting boron nitride nanotubes that are condensed on or in the area of the cooled condenser from the pressure chamber.

  11. Isotopic effects on the phonon modes in boron carbide.

    Science.gov (United States)

    Werheit, H; Kuhlmann, U; Rotter, H W; Shalamberidze, S O

    2010-10-01

    The effect of isotopes ((10)B-(11)B; (12)C-(13)C) on the infrared- and Raman-active phonons of boron carbide has been investigated. For B isotopes, the contributions of the virtual crystal approximation, polarization vector and isotopical disorder are separated. Boron and carbon isotope effects are largely opposite to one another and indicate the share of the particular atoms in the atomic assemblies vibrating in specific phonon modes. Some infrared-active phonons behave as expected for monatomic boron crystals.

  12. Design and Fabricate a Metallic Hydride Heat Pump with a Cooling Capacity of 9000 BTU/H

    Science.gov (United States)

    1989-02-07

    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

  13. Development of Novel Metal Hydride-Carbon Nanomaterial Based Nanocomposites as Anode Electrode Materials for Lithium Ion Battery

    Science.gov (United States)

    2014-06-30

    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 based...be as follows:- Milestone I • Synthesis of nanosized metal hydrides (NMH)-carbon nanotubes (CNT) hybridizing with G (NMH- CNT-G) nanocomposites

  14. Microadditions of boron and vanadium in ADI

    Directory of Open Access Journals (Sweden)

    Rzychoń T.

    2007-01-01

    Full Text Available In the second part of the study, describing the role of vanadium and boron microadditions in the process of structure formation in heavy-walled castings made from ADI, the results of own investigations were presented. Within this study two series of melts of the ductile iron were made, introducing microadditions of the above mentioned elements to both unalloyed ductile iron and the ductile iron containing high levels of nickel and copper (the composition typical of ADI. Melts were conducted with iron-nickel-magnesium master alloy. Thermal analysis of the solidification process of the cast keel blocks was conducted, the heat treatment of the alloys was carried out, and then the effect of the introduced additions of boron and vanadium on the hardenability of the investigated cast iron was examined and evaluated.

  15. Facile Synthesis of Ternary Boron Carbonitride Nanotubes

    Directory of Open Access Journals (Sweden)

    Luo Lijie

    2009-01-01

    Full Text Available Abstract In this study, a novel and facile approach for the synthesis of ternary boron carbonitride (B–C–N nanotubes was reported. Growth occurred by heating simple starting materials of boron powder, zinc oxide powder, and ethanol absolute at 1150 °C under a mixture gas flow of nitrogen and hydrogen. As substrate, commercial stainless steel foil with a typical thickness of 0.05 mm played an additional role of catalyst during the growth of nanotubes. The nanotubes were characterized by SEM, TEM, EDX, and EELS. The results indicate that the synthesized B–C–N nanotubes exhibit a bamboo-like morphology and B, C, and N elements are homogeneously distributed in the nanotubes. A catalyzed vapor–liquid–solid (VLS mechanism was proposed for the growth of the nanotubes.

  16. Boron-10 ABUNCL Models of Fuel Testing

    Energy Technology Data Exchange (ETDEWEB)

    Siciliano, Edward R.; Lintereur, Azaree T.; Kouzes, Richard T.; Ely, James H.

    2013-10-01

    The Department of Energy Office of Nuclear Safeguards and Security (NA-241) is supporting the project Coincidence Counting With Boron-Based Alternative Neutron Detection Technology at Pacific Northwest National Laboratory (PNNL) for the development of a 3He proportional counter alternative neutron coincidence counter. The goal of this project is to design, build and demonstrate a system based upon 10B-lined proportional tubes in a configuration typical for 3He-based coincidence counter applications. This report provides results from MCNP simulations of the General Electric Reuter-Stokes Alternative Boron-Based Uranium Neutron Coincidence Collar (ABUNCL) active configuration model with fuel pins previously measured at Los Alamos National Laboratory. A comparison of the GE-ABUNCL simulations and simulations of 3He based UNCL-II active counter (the system for which the GE-ABUNCL was targeted to replace) with the same fuel pin assemblies is also provided.

  17. Boron Nitride Nanotube: Synthesis and Applications

    Science.gov (United States)

    Tiano, Amanda L.; Park, Cheol; Lee, Joseph W.; Luong, Hoa H.; Gibbons, Luke J.; Chu, Sang-Hyon; Applin, Samantha I.; Gnoffo, Peter; Lowther, Sharon; Kim, Hyun Jung; Danehy, Paul M.; Inman, Jennifer A.; Jones, Stephen B.; Kang, Jin Ho; Sauti, Godfrey; Thibeault, Sheila A.; Yamakov, Vesselin; Wise, Kristopher E.; Su, Ji; Fay, Catharine C.

    2014-01-01

    Scientists have predicted that carbon's immediate neighbors on the periodic chart, boron and nitrogen, may also form perfect nanotubes, since the advent of carbon nanotubes (CNTs) in 1991. First proposed then synthesized by researchers at UC Berkeley in the mid 1990's, the boron nitride nanotube (BNNT) has proven very difficult to make until now. Herein we provide an update on a catalyst-free method for synthesizing highly crystalline, small diameter BNNTs with a high aspect ratio using a high power laser under a high pressure and high temperature environment first discovered jointly by NASA/NIA JSA. Progress in purification methods, dispersion studies, BNNT mat and composite formation, and modeling and diagnostics will also be presented. The white BNNTs offer extraordinary properties including neutron radiation shielding, piezoelectricity, thermal oxidative stability (> 800 C in air), mechanical strength, and toughness. The characteristics of the novel BNNTs and BNNT polymer composites and their potential applications are discussed.

  18. Characterization of boron doped nanocrystalline diamonds

    Energy Technology Data Exchange (ETDEWEB)

    Peterlevitz, A C; Manne, G M; Sampaio, M A; Quispe, J C R; Pasquetto, M P; Iannini, R F; Ceragioli, H J; Baranauskas, V [Faculdade de Engenharia Eletrica e Computacao, Departamento de Semicondutores, Instrumentos e Fotonica, Universidade Estadual de Campinas, UNICAMP, Av. Albert Einstein N.400, 13083-852 Campinas SP Brasil (Brazil)], E-mail: vitor.baranauskas@gmail.com

    2008-03-15

    Nanostructured diamond doped with boron was prepared using a hot-filament assisted chemical vapour deposition system fed with an ethyl alcohol, hydrogen and argon mixture. The reduction of the diamond grains to the nanoscale was produced by secondary nucleation and defects induced by argon and boron atoms via surface reactions during chemical vapour deposition. Raman measurements show that the samples are nanodiamonds embedded in a matrix of graphite and disordered carbon grains, while morphological investigations using field electron scanning microscopy show that the size of the grains ranges from 20 to 100 nm. The lowest threshold fields achieved were in the 1.6 to 2.4 V/{mu}m range.

  19. Behavior of disordered boron carbide under stress.

    Science.gov (United States)

    Fanchini, Giovanni; McCauley, James W; Chhowalla, Manish

    2006-07-21

    Gibbs free-energy calculations based on density functional theory have been used to determine the possible source of failure of boron carbide just above the Hugoniot elastic limit (HEL). A range of B4C polytypes is found to be stable at room pressure. The energetic barrier for shock amorphization of boron carbide is by far the lowest for the B12(CCC) polytype, requiring only 6 GPa approximately = P(HEL) for collapse under hydrostatic conditions. The results clearly demonstrate that the collapse of the B12(CCC) phase leads to segregation of B12 and amorphous carbon in the form of 2-3 nm bands along the (113) lattice direction, in excellent agreement with recent transmission electron microscopy results.

  20. Metal borohydride formation from aluminium boride and metal hydrides.

    Science.gov (United States)

    Møller, Kasper T; Fogh, Alexander S; Paskevicius, Mark; Skibsted, Jørgen; Jensen, Torben R

    2016-10-05

    Metal borides are often decomposition products from metal borohydrides and thus play a role in the reverse reaction where hydrogen is absorbed. In this work, aluminium boride, AlB2, has been investigated as a boron source for the formation of borohydrides under hydrogen pressures of p(H2) = 100 or 600 bar at elevated temperatures (350 or 400 °C). The systems AlB2-MHx (M = Li, Na, Mg, Ca) have been investigated, producing LiBH4, NaBH4 and Ca(BH4)2, whereas the formation of Mg(BH4)2 was not observed at T = 400 °C and p(H2) = 600 bar. The formation of the metal borohydrides is confirmed by powder X-ray diffraction and infrared spectroscopy and the fraction of boron in AlB2 and M(BH4)x is determined quantitatively by (11)B MAS NMR. Hydrogenation for 12 h at T = 350-400 °C and p(H2) = 600 bar leads to the formation of substantial amounts of LiBH4 (38.6 mol%), NaBH4 (83.0 mol%) and Ca(BH4)2 (43.6 mol%).

  1. Laser Boronizing of Stainless Steel with Direct Diode Laser

    Science.gov (United States)

    Kusuhara, Takayoshi; Morimoto, Junji; Abe, Nobuyuki; Tsukamoto, Masahiro

    Boronizing is a thermo-chemical surface treatment in which boron atoms are diffused into the surface of a work piece to form borides with the base material. When applied to the metallic materials, boronizing provides wear and abrasion resistance comparable to sintered carbides. However conventional boronizing is carried out at temperatures ranging from 800°C to 1050°C and takes from one to several hours. The structure and properties of the base material is influenced considerably by the high temperature and long treatment time. In order to avoid these drawbacks of conventional boronizing, laser-assisted boronizing is investigated which activates the conventional boronizing material and the work piece with a high density laser power. In this study, effect of laser characteristics was examined on the laser boronizing of stainless steel. After laser boronizing, the microstructure of the boride layer was analyzed with an optical microscope, electron probe micro analyser(EPMA) and X-ray diffractometer (XRD). The mechanical properties of borided layer were evaluated using Vickers hardness tester and sand erosion tester. Results showed that the boride layer was composed of NiB, CrB, FeB and Fe2B, and get wear resistance.

  2. Switchable Surface Wettability by Using Boronic Ester Chemistry.

    Science.gov (United States)

    Taleb, Sabri; Noyer, Elisabeth; Godeau, Guilhem; Darmanin, Thierry; Guittard, Frédéric

    2016-01-18

    Here, we report for the first time the use of a boronic ester as an efficient tool for reversible surface post-functionalization. The boronic ester bond allows surfaces to be reversibly switched from hydrophilic to hydrophobic. Based on the well-known boronic acid/glycol affinity, this strategy offers the opportunity to play with surface hydrophobic properties by adding various boronic acids onto substrates bearing glycol groups. The post-functionalization can then be reversed to regenerate the starting glycol surface. This pathway allows for the preparation of various switchable surfaces for a large range of applications in biosensors, liquid transportation, and separation membranes.

  3. Doping Silicon Wafers with Boron by Use of Silicon Paste

    Institute of Scientific and Technical Information of China (English)

    Yu Gao; Shu Zhou; Yunfan Zhang; Chen Dong; Xiaodong Pi; Deren Yang

    2013-01-01

    In this work we introduce recently developed silicon-paste-enabled p-type doping for silicon.Boron-doped silicon nanoparticles are synthesized by a plasma approach.They are then dispersed in solvents to form silicon paste.Silicon paste is screen-printed at the surface of silicon wafers.By annealing,boron atoms in silicon paste diffuse into silicon wafers.Chemical analysis is employed to obtain the concentrations of boron in silicon nanoparticles.The successful doping of silicon wafers with boron is evidenced by secondary ion mass spectroscopy (SIMS) and sheet resistance measurements.

  4. Boron removal from molten silicon using sodium-based slags

    Institute of Scientific and Technical Information of China (English)

    Yin Changhao; Hu Bingfeng; Huang Xinming

    2011-01-01

    Slag refining,as an important option for boron removal to produce solar grade silicon (SOG-Si) from metallurgical grade silicon (MG-Si),has attracted increasing attention.In this paper,Na2CO3-SiO2 systems were chosen as the sodium-based refining slag materials for boron removal from molten silicon.Furthermore,the effect of Al2O3 addition for boron removal was studied in detail,which showed that an appropriate amount of Al2O3 can help retention of the basicity of the slags,hence improving the boron removal rate.

  5. Lateral gas phase diffusion length of boron atoms over Si/B surfaces during CVD of pure boron layers

    Energy Technology Data Exchange (ETDEWEB)

    Mohammadi, V., E-mail: V.Mohammadi@tudelft.nl; Nihtianov, S. [Department of Microelectronics, Delft University of Technology, Mekelweg 4, 2628 CD, Delft (Netherlands)

    2016-02-15

    The lateral gas phase diffusion length of boron atoms, L{sub B}, along silicon and boron surfaces during chemical vapor deposition (CVD) using diborane (B{sub 2}H{sub 6}) is reported. The value of L{sub B} is critical for reliable and uniform boron layer coverage. The presented information was obtained experimentally and confirmed analytically in the boron deposition temperature range from 700 °C down to 400 °C. For this temperature range the local loading effect of the boron deposition is investigated on the micro scale. A L{sub B} = 2.2 mm was determined for boron deposition at 700 °C, while a L{sub B} of less than 1 mm was observed at temperatures lower than 500 °C.

  6. New nanoforms of carbon and boron nitride

    Energy Technology Data Exchange (ETDEWEB)

    Pokropivny, V V [Institute for Problems of Materials Science of National Academy of Sciences of Ukraine (Ukraine); Ivanovskii, A L [Institute of Solid State Chemistry, Urals Branch of the Russian Academy of Sciences, Ekaterinburg (Russian Federation)], e-mail: Ivanovskii@ihim.uran.ru

    2008-10-31

    Data on new carbon nanostructures including those based on fullerenes, nanotubes as well monolithic diamond-like nanoparticles, nanofibres, various nanocomposites, etc., published in the last decade are generalised. The experimental and theoretical data on their atomic and electronic structures, the nature of chemical bonds and physicochemical properties are discussed. These data are compared with the results obtained in studies of nanoforms of boron nitride, an isoelectronic analogue of carbon. Potential fields of applications of the new nanostructures are considered.

  7. New nanoforms of carbon and boron nitride

    Science.gov (United States)

    Pokropivny, V. V.; Ivanovskii, A. L.

    2008-10-01

    Data on new carbon nanostructures including those based on fullerenes, nanotubes as well monolithic diamond-like nanoparticles, nanofibres, various nanocomposites, etc., published in the last decade are generalised. The experimental and theoretical data on their atomic and electronic structures, the nature of chemical bonds and physicochemical properties are discussed. These data are compared with the results obtained in studies of nanoforms of boron nitride, an isoelectronic analogue of carbon. Potential fields of applications of the new nanostructures are considered.

  8. Formation and Structure of Boron Nitride Nanotubes

    Institute of Scientific and Technical Information of China (English)

    Jiang ZHANG; Zongquan LI; Jin XU

    2005-01-01

    Boron nitride (BN) nanotubes were simply synthesized by heating well-mixed boric acid, urea and iron nitrate powders at 1000℃. A small amount of BN nanowires was also obtained in the resultants. The morphological and structural characters of the BN nanostructures were studied using transmission electron microscopy. Other novel BN nanostructures, such as Y-junction nanotubes and bamboo-like nanotubes, were simultaneously observed. The growth mechanism of the BN nanotubes was discussed briefly.

  9. Amorphous Carbon-Boron Nitride Nanotube Hybrids

    Science.gov (United States)

    Kim, Jae Woo (Inventor); Siochi, Emilie J. (Inventor); Wise, Kristopher E. (Inventor); Lin, Yi (Inventor); Connell, John (Inventor)

    2016-01-01

    A method for joining or repairing boron nitride nanotubes (BNNTs). In joining BNNTs, the nanotube structure is modified with amorphous carbon deposited by controlled electron beam irradiation to form well bonded hybrid a-C/BNNT structures. In repairing BNNTs, the damaged site of the nanotube structure is modified with amorphous carbon deposited by controlled electron beam irradiation to form well bonded hybrid a-C/BNNT structures at the damage site.

  10. Electron-Spin Resonance in Boron Carbide

    Science.gov (United States)

    Wood, Charles; Venturini, Eugene L.; Azevedo, Larry J.; Emin, David

    1987-01-01

    Samples exhibit Curie-law behavior in temperature range of 2 to 100 K. Technical paper presents studies of electron-spin resonance of samples of hot pressed B9 C, B15 C2, B13 C2, and B4 C. Boron carbide ceramics are refractory solids with high melting temperatures, low thermal conductives, and extreme hardnesses. They show promise as semiconductors at high temperatures and have unusually large figures of merit for use in thermoelectric generators.

  11. 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

    2017-01-18

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

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

    Directory of Open Access Journals (Sweden)

    Luc Aymard

    2015-08-01

    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

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

    Science.gov (United States)

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

    2015-01-01

    The state of the art of conversion reactions of metal hydrides (MH) with lithium is presented and discussed in this review with regard to the use of these hydrides as anode materials for lithium-ion batteries. A focus on the gravimetric and volumetric storage capacities for different examples from binary, ternary and complex hydrides is presented, with a comparison between thermodynamic prediction and experimental results. MgH2 constitutes one of the most attractive metal hydrides with a reversible capacity of 1480 mA·h·g(-1) at a suitable potential (0.5 V vs Li(+)/Li(0)) and the lowest electrode polarization (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

  14. Critical Range of Soil Boron for Prognosis of Boron Deficiency in Oilseed Rape

    Institute of Scientific and Technical Information of China (English)

    WEIYOUZHANG

    2001-01-01

    Relationships between seed yields of oilseed rape(Brassica napus L.) and extractable boron concen-trations in three soil layers(A,P and W) were investigated through ten experiments on three types of soils(Alluvic Entisols,Udic Ferrisols and Sagnic Anthrosols) in northern,Western and middle Zhejing Province.Among several mathematical models used to described the relationships,the polynomial equation,y=a+bx+cx2+dx3,where y is the yield of oilseed rape seed and x the extractable boron concentration in P layer of soil,was the best one.The critical range of the concentrations corresponding to 90% of the maximum oilseed rape yield was 0.40-0.52 mg kg-1,The extractable boron concentration of the P layers of the soils was the most stable,The critical range determined was verified through the production practices of oilseed rape in Zhejiang and Anhui provinces.

  15. Critical Range of Soil Boron for Prognosis of Boron Deficiency in Oilseed Rape

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Relationships between seed yields of oilseed rape (Brassica napus L.) and extractable boron concen- trations in three soil layers (A, P and W) were investigated through ten experiments on three types of soils (Alluvic Entisols, Udic Ferrisols and Stagnic Anthrosols) in northern, western and middle Zhejiang Province. Among several mathematical models used to described the relationships, the polynomial equation, y = a + bx + cx2 + dx3, where y is the yield of oilseed rape seed and x the extractable boron concentration in P layer of soil, was the best one. The critical range of the concentrations corresponding to 90% of the maximum oilseed rape yield was 0.40~0.52 mg kg-1. The extractable boron concentration of the P layers of the soils was the most stable. The critical range determined was verified through the production practices of oilseed rape in Zhejiang and Anhui provinces.

  16. Complex Hydride Compounds with Enhanced Hydrogen Storage Capacity

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-02-18

    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

  17. Boron impregnation treatment of Eucalyptus grandis wood.

    Science.gov (United States)

    Dhamodaran, T K; Gnanaharan, R

    2007-08-01

    Eucalyptus grandis is suitable for small timber purposes, but its wood is reported to be non-durable and difficult to treat. Boron compounds being diffusible, and the vacuum-pressure impregnation (VPI) method being more suitable for industrial-scale treatment, the possibility of boron impregnation of partially dry to green timber was investigated using a 6% boric acid equivalent (BAE) solution of boric acid and borax in the ratio 1:1.5 under different treatment schedules. It was found that E. grandis wood, even in green condition, could be pressure treated to desired chemical dry salt retention (DSR) and penetration levels using 6% BAE solution. Up to a thickness of 50mm, in order to achieve a DSR of 5 kg/m(3) boron compounds, the desired DSR level as per the Indian Standard for perishable timbers for indoor use, it was found that neither the moisture content of wood nor the treatment schedule posed any problem as far as the treatability of E. grandis wood was concerned.

  18. 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

    2000-10-01

    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

  19. 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

    2005-09-15

    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

  20. Boron Removal in Radioactive Liquid Waste by Forward Osmosis Membrane

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, Dooseong; Choi, Hei Min; Lee, Kune Woo; Moon Jeikwon [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2014-05-15

    These wastes contain about 0.3-0.8 wt% boric acid and have been concentrated through an evaporation treatment. Boric acid tends to crystallize owing to its solubility, and to plug the evaporator. The volume reduction obtained through evaporation is limited by the amount of boric acid in the waste. As an emerging technology, forward osmosis (FO) has attracted growing interest in wastewater treatment and desalination. FO is a membrane process in which water flows across a semi-permeable membrane from a feed solution of lower osmotic pressure to a draw solution of higher osmotic pressure. However, very few studies on the removal of boron by FO have been performed. The objective of this study is to evaluate the possibility of boron separation in radioactive liquid waste by FO. In this study, the performance of FO was investigated to separate boron in the simulated liquid waste under the factors such as pH, osmotic pressure, ionic strength of the solution, and membrane characteristic. The boron separation in radioactive borate liquid waste was investigated with an FO membrane. When the feed solution containing boron is treated by the FO membrane, the boron permeation depends on the type of membrane, membrane orientation, pH of the feed solution, salt and boron concentration in the feed solution, and osmotic pressure of the draw solution. The boron flux begins to decline from pH 7, and increases with an increase in the osmotic driving force. The boron flux of the CTA-ES and ALFD membrane orientation is higher than those of the CTA-NW and ALFF orientation, respectively. The boron permeation rate is constant regardless of the osmotic pressure and membrane orientation. The boron flux decreases slightly with the salt concentration, but it is not heavily influenced at a low salt concentration.

  1. 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

    2010-01-01

    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...

  2. Improved hydrogen desorption from lithium hydrazide by alkali metal hydride

    Energy Technology Data Exchange (ETDEWEB)

    Zeng, Liang, E-mail: liangzeng@hiroshima-u.ac.jp [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)

    2013-12-15

    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.

  3. On the thermodynamics of phase transitions in metal hydrides

    Science.gov (United States)

    Vita, Andrea

    2012-02-01

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

  4. Superhalogens as Building Blocks of Complex Hydrides for Hydrogen Storage

    CERN Document Server

    Srivastava, Ambrish Kumar

    2016-01-01

    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...

  5. Synthesis and Hydrogen Desorption Properties of Aluminum Hydrides.

    Science.gov (United States)

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

    2016-03-01

    Aluminum hydride (AlH3 or alane) is known to store maximum 10.1 wt.% of hydrogen at relatively low temperature (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.

  6. 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)

    2010-05-15

    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

  7. 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

    2005-01-01

    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.

  8. Microscopy Techniques for Analysis of Nickel Metal Hydride Batteries Constituents.

    Science.gov (United States)

    Carpenter, Graham J C; Wronski, Zbigniew

    2015-12-01

    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.

  9. Development of nickel-metal hydride cell: An update

    Science.gov (United States)

    Kuwajima, S.; Kusawake, Hiroaki; Nakatani, Kensuke; Yano, Y.

    1994-01-01

    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.

  10. 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

    2002-01-01

    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.

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

    Science.gov (United States)

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

    2016-08-10

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

  12. Atomistic simulation of hydrogen dynamics near dislocations in vanadium hydrides

    Energy Technology Data Exchange (ETDEWEB)

    Ogawa, Hiroshi, E-mail: h.ogawa@aist.go.jp

    2015-10-05

    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.

  13. Metal hydrides form halogen bonds: measurement of energetics of binding.

    Science.gov (United States)

    Smith, Dan A; Brammer, Lee; Hunter, Christopher A; Perutz, Robin N

    2014-01-29

    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.

  14. Fluorine substituent effects on dihydrogen bonding of transition metal hydrides.

    Science.gov (United States)

    Jacobsen, Heiko

    2009-09-07

    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.

  15. Contamination of urban garden soils with copper and boron

    Energy Technology Data Exchange (ETDEWEB)

    Purves, D.

    1966-06-04

    Spectrochemical analyses of garden soils sampled in the Edinburgh and Dundee areas indicate that there is substantial contamination of urban soils with copper and boron. These soils were analyzed spectrochemically with respect to total copper and water-extractable boron content with the view of comparing the levels obtained in urban areas with levels in arable soils in rural areas. The results indicate that urban garden soils contain about four times as much copper and two to three times as much water-soluble boron as rural arable soils. The existence of such a marked disparity between the levels of two potentially toxic elements in urban and rural areas is evidence of slow poisoning of the soil environment in built-up areas and is cause for concern. While the major source of contamination of soils with copper and boron is still a matter for speculation, it is probable that the addition of soot to garden soils and the fall-out of sooty material in built-up areas where atmospheric pollution is a problem make a substantial contribution to the water-extractable boron content of urban soils. Three samples of soot from domestic chimneys, obtained from independent sources, were found on analysis to contain 640, 650 and 555 p.p.m. water-extractable boron, and it is evident that the addition to soil of even small amounts of soot with a boron content of this order would have a marked effect on its water-extractable boron content.

  16. Low-dimensional boron structures based on icosahedron B12

    Science.gov (United States)

    Kah, C. B.; Yu, M.; Tandy, P.; Jayanthi, C. S.; Wu, S. Y.

    2015-10-01

    One-dimensional icosahedral boron chains and two-dimensional icosahedral boron sheets (icosahedral α, δ6, and δ4 sheets) that contain icosahedra B12 as their building units have been predicted in a computer simulation study using a state-of-the-art semi-empirical Hamiltonian. These novel low-dimensional icosahedral structures exhibit interesting bonding and electronic properties. Specifically, the three-center, two-electron bonding between icosahedra B12 of the boron bulk (rhombohedral boron) transforms into a two-center bonding in these new allotropes of boron sheets. In contrast to the previously reported stable buckled α and triangular boron monolayer sheets, these new allotropes of boron sheets form a planar network. Calculations of electronic density of states (DOS) reveal a semiconducting nature for both the icosahedral chain and the icosahedral δ6 and δ4 sheets, as well as a nearly gapless (or metallic-like) feature in the DOS for the icosahedral α sheet. The results for the energy barrier per atom between the icosahedral δ6 and α sheets (0.17 eV), the icosahedral δ6 and δ4 sheets (0.38 eV), and the icosahedral α and δ4 sheets (0.27 eV), as indicated in the respective parentheses, suggest that these new allotropes of boron sheets are relatively stable.

  17. Growing evidence for human health benefits of boron

    Science.gov (United States)

    Growing evidence from numerous laboratories using a variety of experimental models shows that boron is a bioactive beneficial, perhaps essential, element for humans. Reported beneficial actions of boron include arthritis alleviation or risk reduction; bone growth and maintenance; central nervous sys...

  18. Predicted phase diagram of boron-carbon-nitrogen

    Science.gov (United States)

    Zhang, Hantao; Yao, Sanxi; Widom, Michael

    2016-04-01

    Noting the structural relationships between phases of carbon and boron carbide with phases of boron nitride and boron subnitride, we investigate their mutual solubilities using a combination of first-principles total energies supplemented with statistical mechanics to address finite temperatures. Thus we predict the solid-state phase diagram of boron-carbon-nitrogen (B-C-N). Owing to the large energy costs of substitution, we find that the mutual solubilities of the ultrahard materials diamond and cubic boron nitride are negligible, and the same for the quasi-two-dimensional materials graphite and hexagonal boron nitride. In contrast, we find a continuous range of solubility connecting boron carbide to boron subnitride at elevated temperatures. An electron-precise ternary compound B13CN consisting of B12 icosahedra with NBC chains is found to be stable at all temperatures up to melting. It exhibits an order-disorder transition in the orientation of NBC chains at approximately T =500 K. We also propose that the recently discovered binary B13N2 actually has composition B12.67N2 .

  19. Phase diagrams and synthesis of cubic boron nitride

    CERN Document Server

    Turkevich, V Z

    2002-01-01

    On the basis of phase equilibria, the lowest temperatures, T sub m sub i sub n , above which at high pressures cubic boron nitride crystallization from melt solution is allowable in terms of thermodynamics have been found for a number of systems that include boron nitride.

  20. BORON NITRIDE CAPACITORS FOR ADVANCED POWER ELECTRONIC DEVICES

    Energy Technology Data Exchange (ETDEWEB)

    N. Badi; D. Starikov; C. Boney; A. Bensaoula; D. Johnstone

    2010-11-01

    This project fabricates long-life boron nitride/boron oxynitride thin film -based capacitors for advanced SiC power electronics with a broad operating temperature range using a physical vapor deposition (PVD) technique. The use of vapor deposition provides for precise control and quality material formation.

  1. The investigation of parameters affecting boron removal by electrocoagulation method

    Energy Technology Data Exchange (ETDEWEB)

    Yilmaz, A. Erdem [Department of Environmental Engineering, Atatuerk University, Faculty of Engineering, Erzurum (Turkey)]. E-mail: aerdemy@atauni.edu.tr; Boncukcuoglu, Recep [Department of Environmental Engineering, Atatuerk University, Faculty of Engineering, Erzurum (Turkey); Kocakerim, M. Muhtar [Department of Chemical Engineering, 25240, Atatuerk University, Faculty of Engineering Erzurum (Turkey); Keskinler, Buelent [Department of Environmental Engineering, Gebze Institute of Technology, Gebze/Kocaeli 41400 (Turkey)

    2005-10-17

    Boron removal from wastewaters by electrocoagulation using aluminum electrode material was investigated in this paper. Several working parameters, such as pH, current density, boron concentration and type and concentration of supporting electrolyte were studied in an attempt to achieve a higher removal capacity. The experiments were carried out by keeping the pH of solution constant and optimum pH of solution was determined 8.0 for the aluminum electrode. Although energy consumption increased with decreasing boron concentration, which conductivity of these solutions were low, boron removal efficiency was higher at 100 mg/L than that of 1000 mg/L. Current density was an important parameter affecting removal efficiency. Boron removal efficiency and energy consumption increased with increasing current density from 1.2 to 6.0 mA/cm{sup 2}. The types of different supporting electrolyte were experimented in order to investigate to this parameter effect on boron removal. The highest boron removal efficiency, 97%, was found by CaCl{sub 2}. Added CaCl{sub 2} increased more the conductivity of solution according to other supporting electrolytes, but decreased energy consumption. The results showed to have a high effectiveness of the electrocoagulation method in removing boron from aqueous solutions.

  2. Method for removal of phosgene from boron trichloride

    Science.gov (United States)

    Freund, S.M.

    1983-09-20

    Selective ultraviolet photolysis using an unfiltered mercury arc lamp has been used to substantially reduce the phosgene impurity in a mixture of boron trichloride and phosgene. Infrared spectrophotometric analysis of the sample before and after irradiation shows that it is possible to highly purify commercially available boron trichloride with this method. 5 figs.

  3. Finite Element Analysis Of Boron Diffusion In Wood

    DEFF Research Database (Denmark)

    Krabbenhøft, Kristian; Hoffmeyer, Preben; Bechgaard, Carl;

    2002-01-01

    The coupled heat and mass transfer equations for air, water and heat transfer are supplemented with a conservation equation for an additional species representing the concentration of boron in wood. Boundary conditions for wood-air. wood-soil and wood-boron interfaces arc discussed and finally th...

  4. Obtention of the constitutive equation of hydride blisters in fuel cladding from nanoindentation tests

    Science.gov (United States)

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

    2017-04-01

    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.

  5. 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)

    1998-08-01

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

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

    Science.gov (United States)

    Dzierlenga, Michael; Antoniou, Dimitri; Schwartz, Steven

    2015-03-01

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

  7. Kinetic behaviour of low-Co AB{sub 5}-type metal hydride electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Tliha, M., E-mail: Mohamed.Tliha@esstt.rnu.tn [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)

    2010-11-15

    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.

  8. Formation and characterization of hydride blisters in Zircaloy-4 cladding tubes

    Energy Technology Data Exchange (ETDEWEB)

    Hellouin de Menibus, Arthur, E-mail: arthur.hellouin-de-menibus@cea.fr [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)

    2014-06-01

    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.

  9. Surface hydride on titanium by cathodic polarization promotes human gingival fibroblast growth.

    Science.gov (United States)

    Xing, Rui; Salou, Laëtitia; Taxt-Lamolle, Sébastien; Reseland, Janne E; Lyngstadaas, Ståle P; Haugen, Håvard J

    2014-05-01

    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.

  10. Crack growth in the through-thickness direction of hydrided thin-wall Zircaloy sheet

    Science.gov (United States)

    Raynaud, Patrick A.; Koss, Donald A.; Motta, Arthur T.

    2012-01-01

    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.

  11. Multislice simulations for in-situ HRTEM studies of nanostructured magnesium hydride at ambient hydrogen pressure.

    Science.gov (United States)

    Surrey, Alexander; Schultz, Ludwig; Rellinghaus, Bernd

    2017-01-31

    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.

  12. Effects of electron doping on the stability of the metal hydride NaH.

    Science.gov (United States)

    Olea-Amezcua, M A; Rivas-Silva, J F; de la Peña-Seaman, O; Heid, R; Bohnen, K P

    2017-04-12

    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.

  13. APPLICATION OF BORON MODIFIED SILICA SOL ON RETENTION AND DRAINAGE

    Institute of Scientific and Technical Information of China (English)

    JinxiaMa; YuxiuPeng; ZhongzhengLi

    2004-01-01

    In this paper it was studied that these dosage effectsof CPAM, cationic starch,boron modified silica sol(BMS), A12(SO4)3, pH value and electrolyte on theretention and drainage of different microparticulatesystems including CPAM, cationic starch and boronsilica sol. The research results indicated that CPAMhad no good retention when used with boron silicasol. The best retention efficiency was the micropar-ticulate system of CPAM + cationic starch withboron modified silica sol; Secondly was that ofcationic starch with boron modified silica sol; Theworst was that of CPAM with boron modified silicasol. The retention efficiency had no relation with theaddition order between CPAM and cationic starch. Itwas also found that the microparticulate retentionsystem of boron modified silica sol could be used inalum-rosin sizing and in acidity, neutral or alkalinepapermaking conditions. This system also could beused with close circulate water so that it could reducethe water pollution and waste.

  14. Safety Assessment of Boron Nitride as Used in Cosmetics.

    Science.gov (United States)

    Fiume, Monice M; Bergfeld, Wilma F; Belsito, Donald V; Hill, Ronald A; Klaassen, Curtis D; Liebler, Daniel C; Marks, James G; Shank, Ronald C; Slaga, Thomas J; Snyder, Paul W; Andersen, F Alan

    2015-01-01

    The Cosmetic Ingredient Review Expert Panel (Panel) assessed the safety of boron nitride which functions in cosmetics as a slip modifier (ie, it has a lubricating effect). Boron nitride is an inorganic compound with a crystalline form that can be hexagonal, spherical, or cubic; the hexagonal form is presumed to be used in cosmetics. The highest reported concentration of use of boron nitride is 25% in eye shadow formulations. Although boron nitride nanotubes are produced, boron nitride is not listed as a nanomaterial used in cosmetic formulations. The Panel reviewed available chemistry, animal data, and clinical data and concluded that this ingredient is safe in the present practices of use and concentration in cosmetic formulations.

  15. A computational study of carbon dioxide adsorption on solid boron.

    Science.gov (United States)

    Sun, Qiao; Wang, Meng; Li, Zhen; Du, Aijun; Searles, Debra J

    2014-07-07

    Capturing and sequestering carbon dioxide (CO2) can provide a route to partial mitigation of climate change associated with anthropogenic CO2 emissions. Here we report a comprehensive theoretical study of CO2 adsorption on two phases of boron, α-B12 and γ-B28. The theoretical results demonstrate that the electron deficient boron materials, such as α-B12 and γ-B28, can bond strongly with CO2 due to Lewis acid-base interactions because the electron density is higher on their surfaces. In order to evaluate the capacity of these boron materials for CO2 capture, we also performed calculations with various degrees of CO2 coverage. The computational results indicate CO2 capture on the boron phases is a kinetically and thermodynamically feasible process, and therefore from this perspective these boron materials are predicted to be good candidates for CO2 capture.

  16. Synthesis and photoluminescence property of boron carbide nanowires

    Institute of Scientific and Technical Information of China (English)

    Bao Li-Hong; Li Chen; Tian Yuan; Tian Ji-Fa; Hui Chao; Wang Xing-Jun; Shen Cheng-Min; Gao Hong-Jun

    2008-01-01

    Large scale, high density boron carbide nanowires have been synthesized by using an improved carbothermal reduction method with B/B2O3/C powder precursors under an argon flow at 1100~C. The boron carbide nanowires are 5-10 μm in length and 80-100 nm in diameter. Transmission electron microscopy (TEM) and selected area electron diffraction (SAED) characterizations show that the boron carbide nanowire has a B4C rhombohedral structure with good crystallization. The Raman spectrum of the as-grown boron carbide nanowires is consistent with that of a B4C structure consisting of B11C icosahedra and C-B-C chains. The room temperature photoluminescence spectrum of the boron carbide nanowires exhibits a visible range of emission centred at 638 nm.

  17. Numerical simulation of boron injection in a BWR

    Energy Technology Data Exchange (ETDEWEB)

    Tinoco, Hernan, E-mail: htb@forsmark.vattenfall.s [Forsmarks Kraftgrupp AB, SE-742 03 Osthammar (Sweden); Buchwald, Przemyslaw [Reactor Technology, Royal Institute of Technology, SE-100 44 Stockholm (Sweden); Frid, Wiktor, E-mail: wiktor@reactor.sci.kth.s [Reactor Technology, Royal Institute of Technology, SE-100 44 Stockholm (Sweden)

    2010-02-15

    The present study constitutes a first step to understand the process of boron injection, transport and mixing in a BWR. It consists of transient CFD simulations of boron injection in a model of the downcomer of Forsmark's Unit 3 containing about 6 million elements. The two cases studied are unintentional start of boron injection under normal operation and loss of offsite power with partial ATWS leaving 10% of the core power uncontrolled. The flow conditions of the second case are defined by means of an analysis with RELAP5, assuming boron injection start directly after the first ECCS injection. Recent publications show that meaningful conservative results may be obtained for boron or thermal mixing in PWRs with grids as coarse as that utilized here, provided that higher order discretization schemes are used to minimize numerical diffusion. The obtained results indicate an apparently strong influence of the scenario in the behavior of the injection process. The normal operation simulation shows that virtually all boron solution flows down to the Main Recirculation Pump inlet located directly below the boron inlet nozzle. The loss of offsite power simulation shows initially a spread of the boron solution over the entire sectional area of the lower part of the downcomer filled with colder water. This remaining effect of the ECCS injection lasts until all this water has left the downcomer. Above this region, the boron injection jet develops in a vertical streak, eventually resembling the injection of the normal operation scenario. Due to the initial spread, this boron injection will probably cause larger temporal and spatial concentration variations in the core. In both cases, these variations may cause reactivity transients and fuel damage due to local power escalation. To settle this issue, an analysis using an extended model containing the downcomer, the MRPs and the Lower Plenum will be carried out. Also, the simulation time will be extended to a scale of

  18. pH dependent salinity-boron interactions impact yield, biomass, evapotranspiration and boron uptake in broccoli (Brassica oleracea L.)

    Science.gov (United States)

    Soil pH is known to influence many important biochemical processes in plants and soils, however its role in salinity - boron interactions affecting plant growth and ion relations has not been examined. The purpose of this research was to evaluate the interactive effects of salinity, boron and soil ...

  19. Magnesium doping of boron nitride nanotubes

    Science.gov (United States)

    Legg, Robert; Jordan, Kevin

    2015-06-16

    A method to fabricate boron nitride nanotubes incorporating magnesium diboride in their structure. In a first embodiment, magnesium wire is introduced into a reaction feed bundle during a BNNT fabrication process. In a second embodiment, magnesium in powder form is mixed into a nitrogen gas flow during the BNNT fabrication process. MgB.sub.2 yarn may be used for superconducting applications and, in that capacity, has considerably less susceptibility to stress and has considerably better thermal conductivity than these conventional materials when compared to both conventional low and high temperature superconducting materials.

  20. Method for exfoliation of hexagonal boron nitride

    Science.gov (United States)

    Lin, Yi (Inventor); Connell, John W. (Inventor)

    2012-01-01

    A new method is disclosed for the exfoliation of hexagonal boron nitride into mono- and few-layered nanosheets (or nanoplatelets, nanomesh, nanoribbons). The method does not necessarily require high temperature or vacuum, but uses commercially available h-BN powders (or those derived from these materials, bulk crystals) and only requires wet chemical processing. The method is facile, cost efficient, and scalable. The resultant exfoliated h-BN is dispersible in an organic solvent or water thus amenable for solution processing for unique microelectronic or composite applications.

  1. Fe nanowire encapsulated in boron nitride nanotubes

    Science.gov (United States)

    Koi, Naruhiro; Oku, Takeo; Nishijima, Masahiko

    2005-11-01

    Boron nitride (BN) nanotubes, nanohorns, nanocoils were synthesized by annealing Fe 4N and B powders at 1000 °C for 1 h in nitrogen gas atmosphere. Especially, Fe-filled BN nanotubes were produced, and investigated by high-resolution electron microscopy, high-angle annular dark-field scanning transmission electron microscopy, electron diffraction and energy dispersive X-ray spectroscopy, which indicates that the [110] of Fe is parallel to the BN nanotube axis. Formation mechanism of Fe-filled BN nanotube was speculated based on these results.

  2. Synthesis of a boron modified phenolic resin

    Directory of Open Access Journals (Sweden)

    Aparecida M. Kawamoto

    2010-08-01

    Full Text Available Phenolic resin has long been used as matrix for composites mainly because of its flame retardant behavior and high char yield after pyrolysis, which results in a self supporting structure. The addition of ceramic powders, such as SiC and B4C, as fillers to the phenolic resin, results in better thermo-oxidative stability, but as drawbacks, it has poor homogeneity, adhesion and processing difficulties during molding of the composites. The addition of single elements, such as boron, silicon and phosphorus in the main backbone of the thermo-set resin is a new strategy to obtain special high performance resins, which results in higher mechanical properties, avoiding the drawbacks of simply adding fillers, which results in enhanced thermo-oxidative stability compared to conventional phenol-formaldehyde resins. Therefore, the product can have several applications, including the use as ablative thermal protection for thermo-structural composites. This work describes the preparation of a boron-modified phenolic resin (BPR using salicyl alcohol and boric acid. The reaction was performed in refluxing toluene for a period of four hours, which produced a very high viscosity amber resin in 90% yield.The final structure of the compound, the boric acid double, substituted at the hydroxyl group of the aromatic ring, was determined with the help of the Infrared Spectroscopy, ¹H-NMR, TGA-DSC and boron elemental analysis. The absorption band of the group B-O at 1349 cm ˉ¹ can be visualized at the FT-IR spectrum. ¹H-NMR spectra showed peaks at 4.97-5.04 ppm and 3.60-3.90 ppm assigned to belong to CH2OH groups from the alcohol. The elemental analysis was also performed for boron determination.The product has also been tested in carbon and silicon fibers composite for the use in thermal structure. The results of the tests showed composites with superior mechanical properties when compared with the conventional phenolic resin.

  3. The Adhesion Improvement of Cubic Boron Nitride Film on High Speed Steel Substrate Implanted by Boron Element

    Institute of Scientific and Technical Information of China (English)

    CAI Zhi-hai; ZHANG Ping; TAN Jun

    2005-01-01

    Cubic boron nitride(c-BN) films were deposited on W6Mo5Cr4V2 high speed steel(HSS) substrate implanted with boron ion by RF-magnetron sputtering. The films were analyzed by the bending beam method, scratch test, XPS and AFM. The experimental results show that the implantation of boron atom can reduce the in ternal stress and improve the adhesion strength of the films. The critical load of scratch test rises to 27.45 N, compared to 1.75 N of c-BN film on the unimplanted HSS. The AFM shows that the surface of the c-BN film on the implanted HSS is low in roughness and small in grain size. Then the composition of the boron implanted layer was analyzed by the XPS. And the influence of the boron implanted layer on the internal stress and adhesion strength of c-BN films were investigated.

  4. Influence of the composition of the boroning mixture on the dimension change of pressed and boroned samples from iron powder

    Directory of Open Access Journals (Sweden)

    Ivanov S.

    2008-01-01

    Full Text Available Volume changes occur during sintering and chemical-thermal treatments of metal powder samples. The results of the investigation of the volume change of pressed and boroned samples from an iron powder, depending on the mixture composition used for the boroning process, are presented in this paper. The basic mixture, used for boroning of the investigated samples from iron powder, is modified by the addition of activators with different chemical compositions and in different concentrations, of up to 4 wt %. Mixtures with ammonium bifluoride, ammonium chloride and boron potassium fluoride were investigated. The research results and the mathematical modelling enable the choice of mixture compositions for boroning based on the volume change given in advance.

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

    Science.gov (United States)

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

    2016-08-01

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

  6. 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)

    2012-01-01

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

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

    Science.gov (United States)

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

    1973-01-01

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

  8. Zirconium hydride precipitation kinetics in Zircaloy-4 observed with synchrotron X-ray diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Blackmur, M.S., E-mail: matthew.blackmur@postgrad.manchester.ac.uk [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)

    2015-09-15

    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.

  9. Development of Hydrogen Storage Tank Systems Based on Complex Metal Hydrides

    Directory of Open Access Journals (Sweden)

    Morten B. Ley

    2015-09-01

    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.

  10. 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.

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

    Science.gov (United States)

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

    2015-01-01

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

  12. 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

    2008-01-01

    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.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2010-07-01

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

  14. 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

    2007-07-27

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

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

    Science.gov (United States)

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

    2016-02-01

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

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

    Science.gov (United States)

    Zhu, Wenhua; Zhu, Ying; Tatarchuk, Bruce

    2013-04-01

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

  17. 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: bertolin@cab.cnea.gov.ar; Perez Ipina, J. [CONICET (Argentina); Universidad Nacional del Comahue, 8300 Neuquen (Argentina); Meyer, G. [Centro Atomico Bariloche, CNEA, 8400 Bariloche (Argentina); CONICET (Argentina)

    2006-01-01

    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.

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

    Science.gov (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

    2015-12-01

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

  19. Strain evolution during hydride precipitation in Zircaloy-4 observed with synchrotron X-ray diffraction

    Science.gov (United States)

    Blackmur, M. S.; Preuss, M.; Robson, J. D.; Zanellato, O.; Cernik, R. J.; Ribeiro, F.; Andrieux, J.

    2016-06-01

    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.

  20. Hydride heat pump. Volume I. Users manual for HYCSOS system design program. [HYCSOS code

    Energy Technology Data Exchange (ETDEWEB)

    Gorman, R.; Moritz, P.

    1978-05-01

    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.